Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRKNILITGVHGYIGNALKDKLIEQGHQVDQINVRNQ----------------LWKSTSFK--DYDVLIHTAALVHNNSPQARLSDYMQVNMLLTKQLAQKAKAED-VKQFIFMSTMAVYGKEGQVGKSDQIDTQTPMNPTTNYGISKKFAEQALQELISD-SFKVAIVRPPMIYGAHCPGN--FQRLMQLS-----K---RLPIIPNINNQRSALYIKHLTAFIDQLISLE-VTGVYHPQDSFYFDTSSVMYEIRRQSHRKTVLINMPSVLNKYFNKLSVFRKLFGNLTYSNTLYENNNALEVIPGKM-SLVIADIMDETTTKDKA |
| 2PK3 Chain:A ((13-318)) | --MRALITGVAGFVGKYLANHLTEQNVEVFGTSRNNEAKLPNVEMISLDIMDSQRVKKVISDIKPDYIFHLAAKSSVKDSWLNKKGTFSTNVFGTLHVLDAVRDSNLDCRILTIGSSEEYGMILPE--ESPVSEENQLRPMSPYGVSKASVGMLARQYVKAYGMDIIHTRTFNHIGPGQSLGFVTQDFAKQIVDIEMEKQEPIIKVGNLEAVRDFTDVRDIVQAYWLLSQYGKTGDVYNVCSGIGTRIQDVLDLLLAMANVKIDTELNPLQ-LR----------PSEVPTLIGSNKRLKDSTGWKPRIPLEKSLFEILQSY------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2PK3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -104368 for 2280 contacts (-45.8/contact) +
2D Compatibility (PS) -29402 + (NN) -6463 + (LL) 1520
1D Compatibility (HY) 1200 + (ID) 2000
Total energy: -139513.0 ( -61.19 by residue)
QMean score : 0.469
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