Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MELLHSINDFNEAKQVIAGGVNSPVRAFKSVKGTPPFILKGKGAYLYDVDNNHYIDFVQSWGPLIFGHADEEIEENIINVLKKGTSFGAPTELETTLAKEIISCYEGLDKVRLVNSGTEATMSAIRLARAYSQKDDLIKFEGCYHGHSDSLLVKAGSGCATFGSPSSLGVPNDFSKHTLVARYNDLNSTEECFKK-GD-VGCVIIEPIAGNMGLVPAQKEFLLGLKALCEKYQAVLILDEVMSGFRASLSGSQEFYGVVPDLVTFGKVIGAGLPLACFGGRAEIMDLLSPIGGVYQAGTLSGNPLAVCAGLSAL--------YKIKRDKTLYTRLNALAVRLTQGLQKSAQNYNIALETLNMGSMFGFFFNENAVRDFDDALKSDTEMFAKFHQKMLFKGVYLACSSFETGFICEPMTEEMIDLAISKADESFDEIINGV |
2ZSM Chain:A ((16-432)) | ---------FERTKELFPGGVNSPVRA--AVKPYPFYVKRGEGAYLYTVDGARIVDLVLAYGPLILGHKHPRVLEAVEEALARGWLYGAPGEAEVLLAEKILGYVKRGGMIRFVNSGTEATMTAIRLARGYTGRDLILKFDGCYHGSHDAVLVAAG------GVPTSAGVPEAVARLTLVTPYNDVEALERVFAEYGDRIAGVIVEPVIANAGVIPPRREFLAALQRLSRESGALLILDEVVTGFRLGLEGAQGYFNIEGDIIVLGKIIGGGFPVGAVAGSREVMSLLTPQGKVFNAGTFNAHPITMAAGLATLKALEEEPVYSVSREAAKALEEAASEV-----LDRTGLPYTIN----RVESMMQLFIGVEEVSNAAQARKADKKFYVKLHEEMLRRGVFIAPSNLEAVFTGLPHQGEALEIAVEGLRSSLKTVLGS- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2ZSM.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -225116 for 3559 contacts (-63.3/contact) +
2D Compatibility (PS) -43989 + (NN) -21924 + (LL) 1812
1D Compatibility (HY) -38000 + (ID) 8150
Total energy: -335367.0 ( -94.23 by residue)
QMean score : 0.486
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