Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MALPITNGTLFMPFVLTFIGIPGFESVQCWIGIPFCATYVIALIGNSLLLIII-KSEPSLHEPMYIFLATLGATDISLSTSIVP-KMLDIFWFHLPEIYFDA-CLFQMWLIHTFQGIESGVLLAMALDRCVAICYPLRRAIVFTRQLVTYIVVGVTLRPAILVIPCLLLIKCHLKLYRTKLIYHTYCERVALVKLATEDVYINKVYGILGAFIVGGLDFIFITLSYIQIFITVFHLPLKEARLKVFNTCIPHIYVFFQFYLLAFFFIFYSQIWILYPIICTYHLVQSLPTGPTIPQPLYLWVKDQTH |
4BWB Chain:A ((26-160)) | ----------------------------------YLALFVVGTVGNGVTLFTLA---QSLQSRVDYYLGSLALSDLLILLFALPVDLYNFIWVHHPWAFGDAGCKGYYFLREACTYATALNVVSLSVELYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAIPMLFTMGLQNLSGDGTHPGGLVCTPIVDTATLRVVIQLNTFMSFLFPMLVASILNTVAARRLTVMVEPGRVQALRRGVLVLRAVVIAFVVCWLPYHVRRLMFVYISDEQWTTALFDFYHYFYMLSNALVYVSAAINPILYNLV |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BWB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -87018 for 808 contacts (-107.7/contact) +
2D Compatibility (PS) -12804 + (NN) -1752 + (LL) 2396
1D Compatibility (HY) -12400 + (ID) 1450
Total energy: -113028.0 ( -139.89 by residue)
QMean score : 0.045
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