Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQTLFKEITSKCYVNGNEMKE---NSSNVLDQYFTKPSVALK---CFQKACEVIKKYENPDDFIFLEPSAGDGVFYDLFPK-------DRRIGIDIEPKRD---------------------GFIQCDFLNYKLP-VHQKVICLGNPPFGHRGV----------------------------MALEFINHAR----NCDFVCFILPMFFESQ---GKGSIKYRVK-GLNLLYSERLEK-NAFIDFKNKEVDVHCVFQIWSKKYQNKKSEFSWYKNRHKEPFSEYIKVFTVSLAKNRECGKEWIFNQKASFYISSTFYKSTQIVENFEEVKYQSGIAVVFTSADKVLNAKLKKLFQEIDWTKYASLATNSCYHLGKSHIFQALHDHLDSLKGN |
3S1S Chain:A ((273-519)) | ------ILTGDEL--AELIHDIATRGRGHEGVVPTDIELGKVLSIISQHILGRP----LTEDEVISDPAAGSGNLLATVSAGFNNVMPRQIWANDIETLFLELLSIRLGLLFPQLVSSNNAPTITGEDVCSLNPEDFANVSVVVMNPPYVSGVTDPAIKRKFAHKIIQLTGNRPQTLFGQIGVEALFLELVTELVQDGTVISAIMPKQYLTAQGNESKAFREFLVGNFGLEHIFLYPREGLFE-----EVIKDTVVFVGRKGSSVEEIEVLDSFTPLEQVDLHNLKRALSNSSNEQIIQPMGMELRKEKREELENRVTVGWRHITSNGRVAEEWITNNLESHCIRLVASDYDLRRGRVGNKGASDLLFINSKKKLWDLLDESVPRDWLYPAL |
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General information:
TITO was launched using:
| RESULT:
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Template: 3S1S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -78002 for 1238 contacts (-63.0/contact) +
2D Compatibility (PS) -18618 + (NN) -7416 + (LL) 1292
1D Compatibility (HY) -3600 + (ID) 1200
Total energy: -107544.0 ( -86.87 by residue)
QMean score : 0.294
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