Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MLLKPKYQIVIAGLCLAIVAILSLMIGNTLVSPGTVIQALFNFDSENDLHDVVTGARASRTIIALLTGAALAVSGLLMQALTRNPIASPGLFGVNAGAVFFVIFSITFIQIQSFKMIVVIAFLGAIVVTILVVALGMFRQTLFSPHRVILAGAAIAMLFTAFTQGILIMNETDLQGLLFWLSGSVSLRNIWDIPWIIPLVLILILIAFSMAAHINI----LMTSDDIATGLGQNIKLIKWMIIMLISMLAGISVAVAGSIVFVGLIVPNISKRLLPPN------YKYLIPFTALAGAILMIISDIVARIIIKPLELPIGVVTAVIGAIVLIYIMKKGRQRL------------------------------------------------------------------------------------------------------------------------------------------------- |
4Q71 Chain:A ((3-990)) | MPNIPPPFTAPYAPDDAEIAARLLPASHLSPPQEARIHRTATRLIEAIRKRLGGVEDMLREFALSTKEGLALMVLAEALLRVPDARTADQFIEDKLGEGDFIHHETKSTAFLVNASAWARVIQPGETPDGTIGRLVKRLGAPAVRTATRQAMRLMGNHFVLGETIEQALERGKPGQKTRYSFDMLGEGARTAADARRYFDAYASAIETIGKAAGNHALPDRPGISVKLSALHPRFEAISRARVMVELVPQLLDLAQRAKAHDLNFTVDAEEADRLELSLDVIAATLADPSLKGWDGFGLAIQAYQKRASAVIDYVDALARAHDRKLMVRLVKGAYWDTEIKRAQERGLDGYPVFTRKAMTDLNYVACASKLLALRPRIFPQFATHNALTVATVLEMAEGSSGFEFQRLHGMGEALYEQLAKDHADIAYRTYAPVGSHRDLLAYLVRRLLENGANSSFVAQAADYRVPVPALLQRPADAIVRPQAAAHPRIPLPCDLFAPERRNSRGVEFGARTALDQLLTDVKAEIADATPDQAHAAVAAARAGFAGWSRTPAGIRAAALE-QAAHLLESRSAHFIALLQREGGKTLDDALSELREAADFCRYYAAQGRKLFG--SETAMPGPTGESNALTMRGRGVFVAISPWNFPLAIFLGQVTAALMAGNSVVAKP------------AEQTPRIAREAVALLHEA---GIP-------KSALYLVTGD-------------------GRIGAALTAHPDIAGVVFTGSTEVARSINRALAAKDGPIVPLIAETGGINAMIADATALPEQVADWVVTSAFRSAGQRCSALRLLFVQEDVADRMIEMVAGAARELKIGDPSDVATHVGPVID--------VEAKQRLDAHIARMKTEARLHFAGPAPEGCFVAPHIFELTEAGQLTEEVFGPILHVVRYRPENLERVLRAIERTGYGLTLGVHSRIDDSIEAIIDRVQVGNIYVNRNMIGAVVGVQPFGGNGLSGTGPKAGGPHYLARFATEQTVTINTAAA |
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General information:
TITO was launched using:
| RESULT:
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Template: 4Q71.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -318495 for 2159 contacts (-147.5/contact) +
2D Compatibility (PS) -29528 + (NN) -7853 + (LL) 6352
1D Compatibility (HY) -400 + (ID) 2400
Total energy: -352324.0 ( -163.19 by residue)
QMean score : 0.246
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