卒論_橋本_120213f

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平成 24 年度 学士論文

セルロソームのパズルモデル構築

長浜バイオ大学 バイオサイエンス学部 バイオサイエンス学科

生命情報科学コース 構造生物学研究室 指導教員:白井 剛教授

学籍番号 108192 氏名 橋本佳奈

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目次

1.概要___________________________3

2.導入___________________________3

3.方法___________________________3

【3-1】Uniprot からアミノ酸配列の取得

【3-2】ホモロジーモデリングの鋳型タンパク質の探索

【3-3】Chimera によるホモロジーモデルの表示

4.表 A,図 B___________________________________________________4

5.結果と考察________________________5

【5-1】Uniprot からアミノ酸配列の取得の結果と考察_________________5

【5-2】ホモロジーモデリングの鋳型タンパク質の探索の結果と考察____15

【5-3】Chimera によるホモロジーモデルの表示の結果と考察___________21

6.参考文献_________________________26

7.謝辞_______________________________________________________26

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1.概要

好熱嫌気性セルロース分解細菌(Clostridium thermocellum)からセルロソームのパズル

モデルを構築する。パズルモデルとは、現在全体構造の分かっていないセルロソームを組

み立てるためのセルロソームに相同性のある酵素などの断片化した構造を集積することで

作成した分子モデルのことである。そこで、セルロソームのパズルモデル構造を作るため

にセルロソームを構成している

C.thermocellum の遺伝子リスト(表 A)62 個から遺伝子

名と機能をたよりに、Uniprot からアミノ酸配列を 28 個取得した。アミノ酸配列から一

致度 25%以上、カバー率 80%以上の条件でホモロジーモデリングを実行し、28 個すべて

について少なくとも部分的にホモロジーモデルを得た。得られた構造をセルロソームの模

式図(図 B)に構造を当てはめた。セルロソームの模式図を使うに当たって、セルロソー

ムを細胞膜にアンカーする SLH タンパク質(模式図の SLH=

S-layer homologous)について

もアミノ酸配列を取得し、ホモロジーモデルを作成した。

2.導入

ヒトなどの動物は、セルロースを分解できないが、好熱嫌気性セルロース分解細菌など

の細菌は、セルロソームという超分子複合体を使ってセルロースを分解している。セルロ

ソームは、scaffoldin と呼ばれる骨格にセルラーゼやセルロースエピメラーゼなどの酵

素が結合してできている。これらの酵素類はほとんど構造が分かっていて、scaffoldin

も全体の 70%程度について断片化された構造が知られている。しかし、セルロソームの

全体構造は、まだ分かっていない。本研究では、これらを組み合わせてセルロソームの全

体構造を組み立てる。この研究により、植物のセルロースをバイオ燃料などとして活用す

る手助けになり、環境問題やエネルギー問題の解決に貢献できると考えられている。

3.方法

【3-1】Uniprot からアミノ酸配列の取得

セルロソームを構成している

C.thermocellum の遺伝子リスト(表 A)の遺伝子名と機

能をたよりに、Uniprot から

C.thermocellum ATCC 27405 の配列のアミノ酸配列を取得し

た。また、全ての配列に対して SIRD をにより構造検索を行った。つまり、SIRD 検索を実

行することでアミノ酸配列から自動的に PDB に登録されている配列の中で類似性のあるも

のを検索することができた。それらの結果を図 1 と表 1 に示した。

【3-2】ホモロジーモデリングの鋳型タンパク質の探索

アミノ酸一致度 25%以上、カバー率 80%以上で類似した鋳型タンパク質のみを使い、

ホモロジーモデルを自動作成するプログラム(make_modeller.sh)を、SIRD で構造をモ

デリングできると確認できたものについて実行した。また、ひとつひとつのサブユニット

のカバー率と一致度を調べ(図 2 と表 2)、サブユニットのカバー率とアミノ酸の数を閾

値としたときのセルロソーム全体のカバー率のグラフを作成した。(図 3,4)。

【3-3】Chimera によるホモロジーモデルの表示

方法【3-2】で作成したホモロジーモデルを Chimera を使い分かりやすく表示し、決定

された構造が実際にセルロソームのどこに配置される構造なのかを図 B のセルロソームの

模式図を使い推定した。

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4.表 A,図 B

表 A:セルロソームを構成している

C.thermocellum の遺伝子リスト

出典:

The Clostridium thermocellum Cellulosome - the Paradigm of a

Multienzyme Complex

Vladimir V. Zverlov1,2, and Wolfgang H. Schwarz2*

1) Institute of Molecular Genetics, Russian Academy of Science, Kurchatov Sq.,

123182

Moscow, Russia. 2) Research Group Microbial Biotechnology, Technische Universitaet

Muenchen, Am Hochanger 4, D-85350 Freising-Weihenstephan, Germany

図 B:セルロソームの模式図

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5.結果と考察

【5-1】Uniprot からアミノ酸配列の取得の結果と考察

方法【3-1】より、Uniprot から取得したアミノ酸配列と SLH のアミノ酸配列に対して構

造検索を行った結果を図 1 に示し、表 1 にまとめを作成した。

図 1 は構造検索の結果について数ある PDB の中からクエリーを多くカバーしているもの

かつ他の PDB 配列と配列重複領域の少ないものをピックアップした図である。ORP は、

PDB 配列の長さの何%が表示されているか。IDN は、アミノ酸の数が何%一致しているか。

3Ddom は、ドメイン(構造的まとまり)で分類したときの ID。3Dsub は、サブユニット構造

で分類した場合の ID。1D は、配列で分類したときの ID をそれぞれ表している。また、棒

グラフの一行目が、クエリーとなるアミノ酸配列の全長。二行目以降の二重線で表してい

る箇所は、クエリーと類似しているアミノ酸配列を示す。

1

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f2f8052b67a6/1d_4f2f8052b67a6.fasta DATE:Mon Feb 6 16:25:16 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__________________________________________======== 00430842 99 100 3kcpA-01 -00001 007771 013448 __________=====___________________________________ 00092878 99 100 1nbcB000 000007 000524 003256 _________________________________====_____________ 00004409 98 100 1aohB-01 -00001 000015 002494 _____====_________________________________________ 00211432 97 100 2cclC-01 -00001 000015 002494 _______________====_______________________________ 00314174 88 33 2vn6A-01 -00001 000015 002494 ________________________====______________________ 00314166 87 33 2vn5A-01 -00001 000015 002494 ____________________===___________________________ 00038492 86 32 1g1kB-01 -00001 000015 002494 3

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f14f9ef0ba19/1d_4f14f9ef0ba19.fasta DATE:Tue Jan 17 13:32:52 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

_________________==========================_______ 00026624 96 36 1eceB-01 -00001 000005 005229 _____==========___________________________________ 00325110 93 32 2wnxA000 000007 000524 003256 _____________________________________________===== 00211434 93 45 2cclD000 004882 004488 003435 ____________________________________________===___ 00406355 32 36 3h7tA003 000016 000241 000003 5

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30a3b682977/1d_4f30a3b682977.fasta DATE:Tue Feb 7 13:08:27 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

____===============================_______________ 00026624 96 31 1eceB-01 -00001 000005 005229 _____================================_____________ 00339676 91 32 2zunA-01 -00001 000143 006084 _____________________________________________===== 00019334 92 58 1davA000 002769 002128 003435 6

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30a74b34282/1d_4f30a74b34282.fasta DATE:Tue Feb 7 13:23:43 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

____================================______________ 00026624 96 33 1eceB-01 -00001 000005 005229 ______===============================_____________ 00339672 91 34 2zumA-01 -00001 000143 006084 _____________________________________________===== 00019334 88 55 1davA000 002769 002128 003435 8

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30a938b957d/1d_4f30a938b957d.fasta DATE:Tue Feb 7 13:31:56 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

____======================================________ 00075607 99 99 1kwfA-01 -00001 000476 006453 __________________________________________======== 00430846 49 25 3kcpA004 007440 007771 013448

9

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f14fb996de98/1d_4f14fb996de98.fasta DATE:Tue Jan 17 13:40:01 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__________========================________________ 00151302 99 99 1ut9A-01 -00001 000990 007960 ________________________________________________== 00019334 90 61 1davA000 002769 002128 003435 __________________________________________=====___ 00325190 92 31 2wobE000 000007 000524 003256 ____=====_________________________________________ 00149697 81 28 1ulpA-01 -00001 000015 006513 _____________________________________===__________ 00276814 35 27 2oh7A002 000142 005608 007035 10

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================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D _____________=================================____ 00151302 99 91 1ut9A-01 -00001 000990 007960 _______________________________________________=== 00019334 90 86 1davA000 002769 002128 003435 _______======_____________________________________ 00149697 72 26 1ulpA-01 -00001 000015 006513 ____========______________________________________ 00017343 84 26 1cx1A-01 -00001 000015 010166 11

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30b58e22057/1d_4f30b58e22057.fasta DATE:Tue Feb 7 14:24:34 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

___==========================================_____ 00015753 99 100 1clcA-01 -00001 000990 010154 _____________________________________________===== 00103916 98 56 1ohzB000 004882 004488 003435

14

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30b93ab98f5/1d_4f30b93ab98f5.fasta DATE:Tue Feb 7 14:40:16 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

____=========================================_____ 00040004 99 44 1g87A-01 -00001 002371 001757 _____________________________________________===== 00430846 22 25 3kcpA004 007440 007771 013448

15

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30bbca28a1f/1d_4f30bbca28a1f.fasta DATE:Tue Feb 7 14:51:11 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__==========================================______ 00072315 99 60 1kfgB-01 -00001 002371 001757 _____________________________________________===== 00019334 91 50 1davA000 002769 002128 003435

16

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30bde191c67/1d_4f30bde191c67.fasta DATE:Tue Feb 7 15:00:06 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

___==========================================_____ 00072315 99 48 1kfgB-01 -00001 002371 001757 __==============================__________________ 00056518 97 37 1ia7A-01 -00001 002745 004767 ______________________________________________==== 00211434 95 49 2cclD000 004882 004488 003435 17

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30bf7692c0d/1d_4f30bf7692c0d.fasta DATE:Tue Feb 7 15:06:52 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

___=========================================______ 00040004 99 60 1g87A-01 -00001 002371 001757 ______________________________________________==== 00211434 98 49 2cclD000 004882 004488 003435

20

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f15002b89bb4/1d_4f15002b89bb4.fasta DATE:Tue Jan 17 13:59:28 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

_____========================================_____ 00451200 75 35 4tf4B-01 -00001 002371 001757 _____________________________________________===== 00019334 87 56 1davA000 002769 002128 003435

21

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30c20915b19/1d_4f30c20915b19.fasta DATE:Tue Feb 7 15:17:50 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__________________======================__________ 00228139 94 27 2exoA-01 -00001 000318 000500 _____________________________________________===== 00019334 90 60 1davA000 002769 002128 003435 ____===========___________________________________ 00023473 90 27 1dyoB-01 -00001 000015 004728 22

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30c587b45d1/1d_4f30c587b45d1.fasta DATE:Tue Feb 7 15:32:44 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

___=========================================______ 00319610 96 37 2w5fA-01 -00001 006200 009193 ________________=============================_____ 00151072 72 29 1us3A-01 -00001 003639 008077 _____________________________________________===== 00211434 95 45 2cclD000 004882 004488 003435 23

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30c91981e8d/1d_4f30c91981e8d.fasta DATE:Tue Feb 7 15:47:58 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

____________________________________============== 00209849 99 100 2c79A-01 -00001 000433 008394 ___=====================__________________________ 00217714 83 57 2dcjB-01 -00001 004597 006870 __________________==========______________________ 00152468 96 58 1uy2A-01 -00001 000015 000803 ___________________________________==============_ 00160529 80 32 1w1b1-01 -00001 000433 003323 _____________________________=====________________ 00019334 92 50 1davA000 002769 002128 003435 ____________________________=====_________________ 00430846 22 28 3kcpA004 007440 007771 013448 24

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================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D ____________________________________============== 00209849 99 100 2c79A-01 -00001 000433 008394 ___=====================__________________________ 00217714 83 57 2dcjB-01 -00001 004597 006870 __________________==========______________________ 00152468 96 58 1uy2A-01 -00001 000015 000803 ___________________________________==============_ 00160529 80 32 1w1b1-01 -00001 000433 003323 _____________________________=====________________ 00019334 92 50 1davA000 002769 002128 003435 ____________________________=====_________________ 00430846 22 28 3kcpA004 007440 007771 013448 25

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f1502e470c4c/1d_4f1502e470c4c.fasta DATE:Tue Jan 17 14:11:03 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

________==============================____________ 00198514 97 59 2ayhA-01 -00001 000015 002660 ___________==============================_________ 00312413 75 26 2vh9B-01 -00001 003630 002199 _________________________________________========= 00019334 85 49 1davA000 002769 002128 003435 26

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f150aeb16522/1d_4f150aeb16522.fasta DATE:Tue Jan 17 14:45:19 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__=======================================_________ 00059829 96 42 1itxA-01 -00001 000508 010377 ___=======================================________ 00346886 76 30 3b8sB-01 -00001 001470 005098 ___________________________________________======= 00019334 88 58 1davA000 002769 002128 003435 __________________________________________=======_ 00267731 76 32 2k7dA000 000085 000079 000152 27

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30d39a34987/1d_4f30d39a34987.fasta DATE:Tue Feb 7 16:32:46 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

_______________===========================________ 00063129 93 25 1j9yA-01 -00001 000031 003774 ________________________________________========== 00078419 76 25 1la0A-01 -00001 002795 000016

36

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30a029ba6bb/1d_4f30a029ba6bb.fasta DATE:Tue Feb 7 12:53:19 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__============================================____ 00076916 99 100 1l2aF-01 -00001 000689 002326 ______________________________________________==== 00019334 95 100 1davA000 002769 002128 003435

37

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30d60ae8716/1d_4f30d60ae8716.fasta DATE:Tue Feb 7 16:43:13 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__============================================____ 00213867 99 99 2cn3B-01 -00001 000954 004345 ______________________________________________==== 00019334 90 44 1davA000 002769 002128 003435

45

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30da844ba9f/1d_4f30da844ba9f.fasta DATE:Tue Feb 7 17:02:21 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

_________________________================_________ 00226951 99 99 2eqdA-01 -00001 004684 003837 ___________________________________________======= 00209184 98 100 2c4xA-01 -00001 004459 008386 __======__________________________________________ 00165332 99 100 1wmxB-01 -00001 000015 003388 _______=================__________________________ 00015753 98 27 1clcA-01 -00001 000990 010154 _________________________________________==_______ 00019334 88 51 1davA000 002769 002128 003435 46

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30dcdf1c0ac/1d_4f30dcdf1c0ac.fasta DATE:Tue Feb 7 17:12:21 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__===============_________________________________ 00206177 96 100 2bv9A-01 -00001 000031 004338 _____________________________________=========____ 00153074 95 98 1v0aA-01 -00001 000015 011029 ___________________================_______________ 00026811 92 26 1edgA-01 -00001 000031 010210 __________________==============__________________ 00437817 80 29 3l55A-01 -00001 000031 009951 _______________________________________________=== 00019334 85 52 1davA000 002769 002128 003435 50

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30eafd63b7f/1d_4f30eafd63b7f.fasta DATE:Tue Feb 7 18:12:35 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__===============_________________________________ 00065003 99 100 1jjfA-01 -00001 000081 007697 ______________________________==================== 00151072 79 32 1us3A-01 -00001 003639 008077 __________________========________________________ 00042959 96 60 1gmmA-01 -00001 000015 000803 __________________________====____________________ 00211434 95 51 2cclD000 004882 004488 003435 1

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f2f8052b67a6/1d_4f2f8052b67a6.fasta DATE:Mon Feb 6 16:25:16 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

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__________=====___________________________________ 00092878 99 100 1nbcB000 000007 000524 003256 _________________________________====_____________ 00004409 98 100 1aohB-01 -00001 000015 002494 _____====_________________________________________ 00211432 97 100 2cclC-01 -00001 000015 002494 _______________====_______________________________ 00314174 88 33 2vn6A-01 -00001 000015 002494 ________________________====______________________ 00314166 87 33 2vn5A-01 -00001 000015 002494 ____________________===___________________________ 00038492 86 32 1g1kB-01 -00001 000015 002494 3

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f14f9ef0ba19/1d_4f14f9ef0ba19.fasta DATE:Tue Jan 17 13:32:52 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

_________________==========================_______ 00026624 96 36 1eceB-01 -00001 000005 005229 _____==========___________________________________ 00325110 93 32 2wnxA000 000007 000524 003256 _____________________________________________===== 00211434 93 45 2cclD000 004882 004488 003435 ____________________________________________===___ 00406355 32 36 3h7tA003 000016 000241 000003 5

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30a3b682977/1d_4f30a3b682977.fasta DATE:Tue Feb 7 13:08:27 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

____===============================_______________ 00026624 96 31 1eceB-01 -00001 000005 005229 _____================================_____________ 00339676 91 32 2zunA-01 -00001 000143 006084 _____________________________________________===== 00019334 92 58 1davA000 002769 002128 003435 6

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30a74b34282/1d_4f30a74b34282.fasta DATE:Tue Feb 7 13:23:43 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

____================================______________ 00026624 96 33 1eceB-01 -00001 000005 005229 ______===============================_____________ 00339672 91 34 2zumA-01 -00001 000143 006084 _____________________________________________===== 00019334 88 55 1davA000 002769 002128 003435 8

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30a938b957d/1d_4f30a938b957d.fasta DATE:Tue Feb 7 13:31:56 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

____======================================________ 00075607 99 99 1kwfA-01 -00001 000476 006453 __________________________________________======== 00430846 49 25 3kcpA004 007440 007771 013448

9

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f14fb996de98/1d_4f14fb996de98.fasta DATE:Tue Jan 17 13:40:01 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__________========================________________ 00151302 99 99 1ut9A-01 -00001 000990 007960 ________________________________________________== 00019334 90 61 1davA000 002769 002128 003435 __________________________________________=====___ 00325190 92 31 2wobE000 000007 000524 003256 ____=====_________________________________________ 00149697 81 28 1ulpA-01 -00001 000015 006513 _____________________________________===__________ 00276814 35 27 2oh7A002 000142 005608 007035 10

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30b221bd389/1d_4f30b221bd389.fasta DATE:Tue Feb 7 14:10:00 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

_____________=================================____ 00151302 99 91 1ut9A-01 -00001 000990 007960 _______________________________________________=== 00019334 90 86 1davA000 002769 002128 003435 _______======_____________________________________ 00149697 72 26 1ulpA-01 -00001 000015 006513 ____========______________________________________ 00017343 84 26 1cx1A-01 -00001 000015 010166 11

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30b58e22057/1d_4f30b58e22057.fasta DATE:Tue Feb 7 14:24:34 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

___==========================================_____ 00015753 99 100 1clcA-01 -00001 000990 010154 _____________________________________________===== 00103916 98 56 1ohzB000 004882 004488 003435

14

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30b93ab98f5/1d_4f30b93ab98f5.fasta DATE:Tue Feb 7 14:40:16 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

____=========================================_____ 00040004 99 44 1g87A-01 -00001 002371 001757 _____________________________________________===== 00430846 22 25 3kcpA004 007440 007771 013448

15

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30bbca28a1f/1d_4f30bbca28a1f.fasta DATE:Tue Feb 7 14:51:11 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__==========================================______ 00072315 99 60 1kfgB-01 -00001 002371 001757 _____________________________________________===== 00019334 91 50 1davA000 002769 002128 003435

(9)

9

16

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30bde191c67/1d_4f30bde191c67.fasta DATE:Tue Feb 7 15:00:06 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

___==========================================_____ 00072315 99 48 1kfgB-01 -00001 002371 001757 __==============================__________________ 00056518 97 37 1ia7A-01 -00001 002745 004767 ______________________________________________==== 00211434 95 49 2cclD000 004882 004488 003435 17

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30bf7692c0d/1d_4f30bf7692c0d.fasta DATE:Tue Feb 7 15:06:52 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

___=========================================______ 00040004 99 60 1g87A-01 -00001 002371 001757 ______________________________________________==== 00211434 98 49 2cclD000 004882 004488 003435

20

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f15002b89bb4/1d_4f15002b89bb4.fasta DATE:Tue Jan 17 13:59:28 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

_____========================================_____ 00451200 75 35 4tf4B-01 -00001 002371 001757 _____________________________________________===== 00019334 87 56 1davA000 002769 002128 003435

21

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30c20915b19/1d_4f30c20915b19.fasta DATE:Tue Feb 7 15:17:50 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__________________======================__________ 00228139 94 27 2exoA-01 -00001 000318 000500 _____________________________________________===== 00019334 90 60 1davA000 002769 002128 003435 ____===========___________________________________ 00023473 90 27 1dyoB-01 -00001 000015 004728 22

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30c587b45d1/1d_4f30c587b45d1.fasta DATE:Tue Feb 7 15:32:44 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

___=========================================______ 00319610 96 37 2w5fA-01 -00001 006200 009193 ________________=============================_____ 00151072 72 29 1us3A-01 -00001 003639 008077 _____________________________________________===== 00211434 95 45 2cclD000 004882 004488 003435 23

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30c91981e8d/1d_4f30c91981e8d.fasta DATE:Tue Feb 7 15:47:58 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

____________________________________============== 00209849 99 100 2c79A-01 -00001 000433 008394 ___=====================__________________________ 00217714 83 57 2dcjB-01 -00001 004597 006870 __________________==========______________________ 00152468 96 58 1uy2A-01 -00001 000015 000803 ___________________________________==============_ 00160529 80 32 1w1b1-01 -00001 000433 003323 _____________________________=====________________ 00019334 92 50 1davA000 002769 002128 003435 ____________________________=====_________________ 00430846 22 28 3kcpA004 007440 007771 013448 24

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f31098fd1b3a/1d_4f31098fd1b3a.fasta DATE:Tue Feb 7 20:23:00 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

____________________________________============== 00209849 99 100 2c79A-01 -00001 000433 008394 ___=====================__________________________ 00217714 83 57 2dcjB-01 -00001 004597 006870 __________________==========______________________ 00152468 96 58 1uy2A-01 -00001 000015 000803 ___________________________________==============_ 00160529 80 32 1w1b1-01 -00001 000433 003323 _____________________________=====________________ 00019334 92 50 1davA000 002769 002128 003435 ____________________________=====_________________ 00430846 22 28 3kcpA004 007440 007771 013448 25

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f1502e470c4c/1d_4f1502e470c4c.fasta DATE:Tue Jan 17 14:11:03 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

________==============================____________ 00198514 97 59 2ayhA-01 -00001 000015 002660 ___________==============================_________ 00312413 75 26 2vh9B-01 -00001 003630 002199 _________________________________________========= 00019334 85 49 1davA000 002769 002128 003435 26

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f150aeb16522/1d_4f150aeb16522.fasta DATE:Tue Jan 17 14:45:19 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__=======================================_________ 00059829 96 42 1itxA-01 -00001 000508 010377 ___=======================================________ 00346886 76 30 3b8sB-01 -00001 001470 005098 ___________________________________________======= 00019334 88 58 1davA000 002769 002128 003435 __________________________________________=======_ 00267731 76 32 2k7dA000 000085 000079 000152 27

(10)

10

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30d39a34987/1d_4f30d39a34987.fasta DATE:Tue Feb 7 16:32:46 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

_______________===========================________ 00063129 93 25 1j9yA-01 -00001 000031 003774 ________________________________________========== 00078419 76 25 1la0A-01 -00001 002795 000016

36

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30a029ba6bb/1d_4f30a029ba6bb.fasta DATE:Tue Feb 7 12:53:19 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__============================================____ 00076916 99 100 1l2aF-01 -00001 000689 002326 ______________________________________________==== 00019334 95 100 1davA000 002769 002128 003435

37

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30d60ae8716/1d_4f30d60ae8716.fasta DATE:Tue Feb 7 16:43:13 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__============================================____ 00213867 99 99 2cn3B-01 -00001 000954 004345 ______________________________________________==== 00019334 90 44 1davA000 002769 002128 003435

45

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30da844ba9f/1d_4f30da844ba9f.fasta DATE:Tue Feb 7 17:02:21 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

_________________________================_________ 00226951 99 99 2eqdA-01 -00001 004684 003837 ___________________________________________======= 00209184 98 100 2c4xA-01 -00001 004459 008386 __======__________________________________________ 00165332 99 100 1wmxB-01 -00001 000015 003388 _______=================__________________________ 00015753 98 27 1clcA-01 -00001 000990 010154 _________________________________________==_______ 00019334 88 51 1davA000 002769 002128 003435 46

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30dcdf1c0ac/1d_4f30dcdf1c0ac.fasta DATE:Tue Feb 7 17:12:21 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__===============_________________________________ 00206177 96 100 2bv9A-01 -00001 000031 004338 _____________________________________=========____ 00153074 95 98 1v0aA-01 -00001 000015 011029 ___________________================_______________ 00026811 92 26 1edgA-01 -00001 000031 010210 __________________==============__________________ 00437817 80 29 3l55A-01 -00001 000031 009951 _______________________________________________=== 00019334 85 52 1davA000 002769 002128 003435 50

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30eafd63b7f/1d_4f30eafd63b7f.fasta DATE:Tue Feb 7 18:12:35 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__===============_________________________________ 00065003 99 100 1jjfA-01 -00001 000081 007697 ______________________________==================== 00151072 79 32 1us3A-01 -00001 003639 008077 __________________========________________________ 00042959 96 60 1gmmA-01 -00001 000015 000803 __________________________====____________________ 00211434 95 51 2cclD000 004882 004488 003435 51

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30edf30a2db/1d_4f30edf30a2db.fasta DATE:Tue Feb 7 18:25:13 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__========================________________________ 00319617 99 98 2w5fB-01 -00001 006200 009193 ______________________________________============ 00042507 96 100 1gkkB-01 -00001 000017 002690 ___________________________=======________________ 00048477 99 99 1h6xA-01 -00001 000015 004728 __________==================______________________ 00175656 78 31 1xyfB-01 -00001 004562 000882 __________________________________===_____________ 00211434 98 96 2cclD000 004882 004488 003435 ___________________________________===____________ 00173211 36 30 1xo5B002 000126 000362 003216 52

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30f8ace4ed6/1d_4f30f8ace4ed6.fasta DATE:Tue Feb 7 19:10:58 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

____====================__________________________ 00026811 92 40 1edgA-01 -00001 000031 010210 ______________________________==================== 00321058 98 25 2waaA-01 -00001 001772 007120 __________________________====____________________ 00019334 91 50 1davA000 002769 002128 003435 ___=====__________________________________________ 00280675 20 26 2oykB001 000040 005639 002614 57

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30fb5c68f73/1d_4f30fb5c68f73.fasta DATE:Tue Feb 7 19:22:24 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

_____________________________________________===== 00019334 83 57 1davA000 002769 002128 003435

63

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f2f828bbadf4/1d_4f2f828bbadf4.fasta DATE:Mon Feb 6 16:34:39 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

(11)

11

_____================_____________________________ 00211432 93 35 2cclC-01 -00001 000015 002494

51

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30edf30a2db/1d_4f30edf30a2db.fasta DATE:Tue Feb 7 18:25:13 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

__========================________________________ 00319617 99 98 2w5fB-01 -00001 006200 009193 ______________________________________============ 00042507 96 100 1gkkB-01 -00001 000017 002690 ___________________________=======________________ 00048477 99 99 1h6xA-01 -00001 000015 004728 __________==================______________________ 00175656 78 31 1xyfB-01 -00001 004562 000882 __________________________________===_____________ 00211434 98 96 2cclD000 004882 004488 003435 ___________________________________===____________ 00173211 36 30 1xo5B002 000126 000362 003216 52

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30f8ace4ed6/1d_4f30f8ace4ed6.fasta DATE:Tue Feb 7 19:10:58 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

____====================__________________________ 00026811 92 40 1edgA-01 -00001 000031 010210 ______________________________==================== 00321058 98 25 2waaA-01 -00001 001772 007120 __________________________====____________________ 00019334 91 50 1davA000 002769 002128 003435 ___=====__________________________________________ 00280675 20 26 2oykB001 000040 005639 002614 57

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f30fb5c68f73/1d_4f30fb5c68f73.fasta DATE:Tue Feb 7 19:22:24 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

_____________________________________________===== 00019334 83 57 1davA000 002769 002128 003435

63

SIRD:100629 QUERY:/work/sirdi/sird/WORK/1d_search/1d_4f2f828bbadf4/1d_4f2f828bbadf4.fasta DATE:Mon Feb 6 16:34:39 2012 ================================================== ID ORP IDN PDB/C/N 3Ddom 3Dsub 1D

____================______________________________ 00004409 96 36 1aohB-01 -00001 000015 002494 _____================_____________________________ 00211432 93 35 2cclC-01 -00001 000015 002494

図 1:構造検索の結果

(12)

12

表 1 は、構造検索結果をまとめたものである。表 A のリストのサブユニットと

SLH(No.63)を含めた 63 個のうち 29 個アミノ酸配列を取得できた。SIRD の構造検索では、

29 個すべての配列に対して参照構造があることが分かる。Cover は、約 90%カバーしてい

るものに○を付けて示した。ID は、クエリーをカバーしている PDB の数を表している。

表 1:構造検索まとめ

(13)
(14)

14

Uniprot から取得できた配列のすべてが SIDR の構造検索で見つかった。これは、

Uniprot で取得したアミノ酸配列それぞれが、すでに研究され構造が決定された酵素を含

んでいることにより SIRD で検索されたと考えられる。また、カバー率や一致度の制限を

しないアミノ酸配列の場合、約 90%以上カバーされている配列が 14 個あり、全体の約半

数を占めていることが分かる。

(15)

15

【5-2】ホモロジーモデリングの鋳型タンパク質の探索の結果と考察

方法【3-2】で使ったプログラム make_modeller.sh は、クエリーアミノ酸配列(モデリ

ングの標的配列)を読み込み、一致度 25%以上、カバー率 80%などの閾値を与えて、実行

すると自動的に SIRD 検索を行い鋳型タンパク質を取得し、MODELLER により立体構造を作

ることのできるプログラムである。このプログラムの結果のサブユニット全体のカバー率

と一致度の結果を図 2 に示し、表 2 を作成した。また、このカバー率と一致度からサブユ

ニットのカバー率とアミノ酸の数を閾値としたときのセルロソーム全体のカバー率のグラ

フ(図 3,4)を作成した。

図 2 は、SIRD で構造をモデリングできると確認できた 29 個のアミノ酸配列を上記プロ

グラムにかけた結果についての図である。ORP は、PDB 配列の長さの何%が表示されてい

るか。IDN は、アミノ酸の数が何%一致しているか。3Ddom は、ドメイン構造で分類した

場合の ID。3Dsub は、サブユニット構造で分類した場合の ID。1D は、配列で分類した場

合の ID を表している。また、棒グラフの一行目が、クエリーとなるアミノ酸配列の全長。

二行目以降の二重線で表している箇所は、クエリーと類似しているアミノ酸配列を示す。

HEADER HIST pdb_do_modeller_sum: Infile1 = .//1.fast HEADER HIST pdb_do_modeller_sum: Outfile1 = 1.fast_modeller.pdb HEADER HIST pdb_do_modeller_sum: No.models = 11

HEADER HIST pdb_do_modeller_sum: Alignment

HEADER HIST pdb_do_modeller_sum: @ No.Frag 11 No.Bridge 1 No.Contig 5 Cover 92.00

HEADER HIST pdb_do_modeller_sum: ================================================== ID SIZ ORP IDN PDB/C/N 3Ddom 3Dsub 1D HEADER HIST pdb_do_modeller_sum: _====_____________________________________________ 00078011 138 99 69 1ohzA000 000179 000303 002777 HEADER HIST pdb_do_modeller_sum: _____====_________________________________________ 00157508 145 97 100 2cclC000 000179 000303 002777 HEADER HIST pdb_do_modeller_sum: __________=====___________________________________ 00069712 154 100 100 1nbcB000 000584 001338 003578 HEADER HIST pdb_do_modeller_sum: ________________====______________________________ 00157508 144 95 71 2cclC000 000179 000303 002777 HEADER HIST pdb_do_modeller_sum: ________________===_______________________________ 00003437 142 100 94 1aohA000 000179 000303 002777 HEADER HIST pdb_do_modeller_sum: ____________________====__________________________ 00003437 142 100 96 1aohA000 000179 000303 002777 HEADER HIST pdb_do_modeller_sum: ________________________====______________________ 00003438 145 99 96 1aohB000 000179 000303 002777 HEADER HIST pdb_do_modeller_sum: _____________________________====_________________ 00003438 145 99 95 1aohB000 000179 000303 002777 HEADER HIST pdb_do_modeller_sum: _________________________________====_____________ 00003438 145 99 100 1aohB000 000179 000303 002777 HEADER HIST pdb_do_modeller_sum: ______________________________________====________ 00003438 145 99 95 1aohB000 000179 000303 002777 HEADER HIST pdb_do_modeller_sum: __________________________________________======== 00336288 302 100 100 3kcpA-01 -00001 006395 015408

HEADER HIST pdb_do_modeller_sum: Infile1 = .//3.fast HEADER HIST pdb_do_modeller_sum: Outfile1 = 3.fast_modeller.pdb HEADER HIST pdb_do_modeller_sum: No.models = 3

HEADER HIST pdb_do_modeller_sum: Alignment

HEADER HIST pdb_do_modeller_sum: @ No.Frag 3 No.Bridge 0 No.Contig 3 Cover 80.00

HEADER HIST pdb_do_modeller_sum: ================================================== ID SIZ ORP IDN PDB/C/N 3Ddom 3Dsub 1D HEADER HIST pdb_do_modeller_sum: ____==========____________________________________ 00244404 140 94 32 2wobE000 000584 001338 003578 HEADER HIST pdb_do_modeller_sum: ________________==========================________ 00019915 362 95 36 1eceB-01 -00001 000010 005835 HEADER HIST pdb_do_modeller_sum: _____________________________________________====_ 00078012 57 100 46 1ohzB000 004498 000013 004299

HEADER HIST pdb_do_modeller_sum: Infile1 = .//5.fast HEADER HIST pdb_do_modeller_sum: Outfile1 = 5.fast_modeller.pdb HEADER HIST pdb_do_modeller_sum: No.models = 3

HEADER HIST pdb_do_modeller_sum: Alignment

HEADER HIST pdb_do_modeller_sum: @ No.Frag 3 No.Bridge 1 No.Contig 2 Cover 78.00

HEADER HIST pdb_do_modeller_sum: ================================================== ID SIZ ORP IDN PDB/C/N 3Ddom 3Dsub 1D HEADER HIST pdb_do_modeller_sum: ____===============================_______________ 00019915 399 96 31 1eceB-01 -00001 000010 005835 HEADER HIST pdb_do_modeller_sum: _____================================_____________ 00261406 389 93 32 2zunC000 001629 000051 006747 HEADER HIST pdb_do_modeller_sum: _____________________________________________===== 00014531 66 94 58 1davA000 005780 000231 004299

HEADER HIST pdb_do_modeller_sum: Infile1 = .//6.fast HEADER HIST pdb_do_modeller_sum: Outfile1 = 6.fast_modeller.pdb HEADER HIST pdb_do_modeller_sum: No.models = 3

HEADER HIST pdb_do_modeller_sum: Alignment

HEADER HIST pdb_do_modeller_sum: @ No.Frag 3 No.Bridge 1 No.Contig 2 Cover 76.00

HEADER HIST pdb_do_modeller_sum: ================================================== ID SIZ ORP IDN PDB/C/N 3Ddom 3Dsub 1D HEADER HIST pdb_do_modeller_sum: _____===============================______________ 00019915 396 95 33 1eceB-01 -00001 000010 005835 HEADER HIST pdb_do_modeller_sum: ______===============================_____________ 00261403 381 91 34 2zumA000 001629 000051 006747 HEADER HIST pdb_do_modeller_sum: _____________________________________________===== 00014531 64 90 55 1davA000 005780 000231 004299

HEADER HIST pdb_do_modeller_sum: Infile1 = .//8.fast HEADER HIST pdb_do_modeller_sum: Outfile1 = 8.fast_modeller.pdb HEADER HIST pdb_do_modeller_sum: No.models = 3

HEADER HIST pdb_do_modeller_sum: Alignment

(16)

16

HEADER HIST pdb_do_modeller_sum: ================================================== ID SIZ ORP IDN PDB/C/N 3Ddom 3Dsub 1D HEADER HIST pdb_do_modeller_sum: ____======================================________ 00056580 362 100 99 1kwfA-01 -00001 000136 007240 HEADER HIST pdb_do_modeller_sum: ____________________________________________====== 00014531 63 90 59 1davA000 005780 000231 004299 HEADER HIST pdb_do_modeller_sum: ____________________________________________=====_ 00236105 56 96 46 2vn5D000 004498 000013 004299

HEADER HIST pdb_do_modeller_sum: Infile1 = .//9.fast HEADER HIST pdb_do_modeller_sum: Outfile1 = 9.fast_modeller.pdb HEADER HIST pdb_do_modeller_sum: No.models = 4

HEADER HIST pdb_do_modeller_sum: Alignment

HEADER HIST pdb_do_modeller_sum: @ No.Frag 4 No.Bridge 1 No.Contig 3 Cover 66.00

HEADER HIST pdb_do_modeller_sum: ================================================== ID SIZ ORP IDN PDB/C/N 3Ddom 3Dsub 1D HEADER HIST pdb_do_modeller_sum: _________=========================________________ 00113830 609 100 99 1ut9A-01 -00001 000722 008916 HEADER HIST pdb_do_modeller_sum: _________====_____________________________________ 00113831 609 100 99 1ut9A001 000002 000722 008916 HEADER HIST pdb_do_modeller_sum: __________________________________________=====___ 00069712 142 100 32 1nbcB000 000584 001338 003578 HEADER HIST pdb_do_modeller_sum: ________________________________________________== 00014531 64 91 61 1davA000 005780 000231 004299

HEADER HIST pdb_do_modeller_sum: Infile1 = .//10.fast HEADER HIST pdb_do_modeller_sum: Outfile1 = 10.fast_modeller.pdb HEADER HIST pdb_do_modeller_sum: No.models = 3

HEADER HIST pdb_do_modeller_sum: Alignment

HEADER HIST pdb_do_modeller_sum: @ No.Frag 3 No.Bridge 1 No.Contig 2 Cover 76.00

HEADER HIST pdb_do_modeller_sum: ================================================== ID SIZ ORP IDN PDB/C/N 3Ddom 3Dsub 1D HEADER HIST pdb_do_modeller_sum: ____________==================================____ 00113830 605 99 91 1ut9A-01 -00001 000722 008916 HEADER HIST pdb_do_modeller_sum: ____________=====_________________________________ 00113831 605 100 91 1ut9A001 000002 000722 008916 HEADER HIST pdb_do_modeller_sum: _______________________________________________=== 00014531 64 91 86 1davA000 005780 000231 004299

HEADER HIST pdb_do_modeller_sum: Infile1 = .//11.fast HEADER HIST pdb_do_modeller_sum: Outfile1 = 11.fast_modeller.pdb HEADER HIST pdb_do_modeller_sum: No.models = 2

HEADER HIST pdb_do_modeller_sum: Alignment

HEADER HIST pdb_do_modeller_sum: @ No.Frag 2 No.Bridge 0 No.Contig 1 Cover 94.00

HEADER HIST pdb_do_modeller_sum: ================================================== ID SIZ ORP IDN PDB/C/N 3Ddom 3Dsub 1D HEADER HIST pdb_do_modeller_sum: ___==========================================_____ 00011871 540 100 100 1clcA-01 -00001 000722 011539 HEADER HIST pdb_do_modeller_sum: _____________________________________________===== 00014531 66 88 58 1davA000 005780 000231 004299

HEADER HIST pdb_do_modeller_sum: Infile1 = .//14.fast HEADER HIST pdb_do_modeller_sum: Outfile1 = 14.fast_modeller.pdb HEADER HIST pdb_do_modeller_sum: No.models = 3

HEADER HIST pdb_do_modeller_sum: Alignment

HEADER HIST pdb_do_modeller_sum: @ No.Frag 3 No.Bridge 1 No.Contig 2 Cover 94.00

HEADER HIST pdb_do_modeller_sum: ================================================== ID SIZ ORP IDN PDB/C/N 3Ddom 3Dsub 1D HEADER HIST pdb_do_modeller_sum: ___================_______________________________ 00011873 430 90 25 1clcA002 002074 000722 011539 HEADER HIST pdb_do_modeller_sum: ____=========================================_____ 00029786 608 99 44 1g87A-01 -00001 002253 001923 HEADER HIST pdb_do_modeller_sum: ______________________________________________==== 00014531 63 88 53 1davA000 005780 000231 004299

HEADER HIST pdb_do_modeller_sum: Infile1 = .//15.fast HEADER HIST pdb_do_modeller_sum: Outfile1 = 15.fast_modeller.pdb HEADER HIST pdb_do_modeller_sum: No.models = 2

HEADER HIST pdb_do_modeller_sum: Alignment

HEADER HIST pdb_do_modeller_sum: @ No.Frag 2 No.Bridge 0 No.Contig 2 Cover 92.00

HEADER HIST pdb_do_modeller_sum: ================================================== ID SIZ ORP IDN PDB/C/N 3Ddom 3Dsub 1D HEADER HIST pdb_do_modeller_sum: __==========================================______ 00054065 608 99 60 1kfgB-01 -00001 002253 001923 HEADER HIST pdb_do_modeller_sum: ______________________________________________==== 00014531 69 88 51 1davA000 005780 000231 004299

HEADER HIST pdb_do_modeller_sum: Infile1 = .//16.fast HEADER HIST pdb_do_modeller_sum: Outfile1 = 16.fast_modeller.pdb HEADER HIST pdb_do_modeller_sum: No.models = 3

HEADER HIST pdb_do_modeller_sum: Alignment

HEADER HIST pdb_do_modeller_sum: @ No.Frag 3 No.Bridge 1 No.Contig 2 Cover 94.00

HEADER HIST pdb_do_modeller_sum: ================================================== ID SIZ ORP IDN PDB/C/N 3Ddom 3Dsub 1D HEADER HIST pdb_do_modeller_sum: ___==========================================_____ 00054065 597 100 49 1kfgB-01 -00001 002253 001923 HEADER HIST pdb_do_modeller_sum: ___=================______________________________ 00054066 597 100 49 1kfgB001 001342 002253 001923 HEADER HIST pdb_do_modeller_sum: ______________________________________________==== 00014531 63 85 50 1davA000 005780 000231 004299

HEADER HIST pdb_do_modeller_sum: Infile1 = .//17.fast HEADER HIST pdb_do_modeller_sum: Outfile1 = 17.fast_modeller.pdb HEADER HIST pdb_do_modeller_sum: No.models = 3

HEADER HIST pdb_do_modeller_sum: Alignment

HEADER HIST pdb_do_modeller_sum: @ No.Frag 3 No.Bridge 1 No.Contig 2 Cover 90.00

HEADER HIST pdb_do_modeller_sum: ================================================== ID SIZ ORP IDN PDB/C/N 3Ddom 3Dsub 1D HEADER HIST pdb_do_modeller_sum: ___=========================================______ 00029786 608 99 61 1g87A-01 -00001 002253 001923 HEADER HIST pdb_do_modeller_sum: ___================_______________________________ 00029787 608 99 61 1g87A001 001342 002253 001923 HEADER HIST pdb_do_modeller_sum: ______________________________________________===_ 00078012 60 100 54 1ohzB000 004498 000013 004299

HEADER HIST pdb_do_modeller_sum: Infile1 = .//20.fast HEADER HIST pdb_do_modeller_sum: Outfile1 = 20.fast_modeller.pdb HEADER HIST pdb_do_modeller_sum: No.models = 4

HEADER HIST pdb_do_modeller_sum: Alignment

HEADER HIST pdb_do_modeller_sum: @ No.Frag 4 No.Bridge 1 No.Contig 2 Cover 84.00

HEADER HIST pdb_do_modeller_sum: ================================================== ID SIZ ORP IDN PDB/C/N 3Ddom 3Dsub 1D HEADER HIST pdb_do_modeller_sum: ___===================================____________ 00042115 482 100 38 1ia6A-01 -00001 002514 005294 HEADER HIST pdb_do_modeller_sum: _______________________===============____________ 00042117 482 100 38 1ia6A002 000576 002514 005294 HEADER HIST pdb_do_modeller_sum: ________________________===============___________ 00042120 482 100 37 1ia7A002 000576 002514 005294 HEADER HIST pdb_do_modeller_sum: _____________________________________________===== 00014531 64 88 56 1davA000 005780 000231 004299

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