Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDLIFSLETWVLLAASLVLLYLYGTSTHGLFKKMGIPGPTPLPFIGTILEYRKGIWDFDIECRKKYGKMWGLFDGRQPLMVITDPDMIKTVLVKECYSVFTNRRSFGPVGFMKKAVSISEDEDWKRVRTLLSPTFTSGKLKEMLPIIAQYGDVLVKNLRQEAEKGKPVDLKEIFGAYSMDVITGTSFGVNIDSLRNPQDPFVKNVRRLLKFSFFDPLLLSITLFPFLTPIFEALHISMFPKDVMDFLKTSVEKIKDDRLKDKQKRRVDFLQLMINSQNSKEIDSHKALDDIEVVAQSIIILFAGYETTSSTLSFIMHLLATHPDVQQKLQEEIDTLLPNKELATYDTLVKMEYLDMVVNETLRLYPIAGRLERVCKKDVDINGTFIPKGTIVMMPTYALHRDPQHWTEPDEFRPERFSKKNKDNINPYIYHPFGAGPRNCLGMRFALMNIKLALVRLMQNFSFKLCKETQVPLKLGKQGLLQPEKPIVLKVVSRDGIIRGA |
3UA1 Chain:A ((8-476)) | -------------------------HSHGLFKKLGIPGPTPLPFLGNILSYHKGFCMFDMECHKKYGKVWGFYDGQQPVLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKSAISIAEDEEWKRLRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKDVFGAYSMDVITSTSFGVNIDSLNNPQDPFVENTKKLLRFDFLDPFFLSITVFPFLIPILEVLNICVFPREVTNFLRKSVKRMKE---EDTQ---VDFLQLMIDSQ-------HKALSDLELVAQSIIFIFAGYETTSSVLSFIMYELATHPDVQQKLQEEIDAVLPNKAPPTYDTVLQMEYLDMVVNETLRLFPIAMRLERVCKKDVEINGMFIPKGVVVMIPSYALHRDPKYWTEPEKFLPERFSKKNKDNIDPYIYTPFGSGPRNCIGMRFALMNMKLALIRVLQNFSFKPCKETQIPLKLSLGGLLQPEKPVVLKVESR------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3UA1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -299839 for 3786 contacts (-79.2/contact) +
2D Compatibility (PS) -48983 + (NN) -27120 + (LL) 3724
1D Compatibility (HY) -67200 + (ID) 17400
Total energy: -456818.0 ( -120.66 by residue)
QMean score : 0.552
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