Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKRLSTTLKVRLISNFLQLIITTAFIPFIALYLTDMLSQSIVGIYLVGLVVLKFPLSIISGYLIEIFPKKLLVLIYQATMVIMLVFMGVFGSHQLWQIIGFCVAYAIFTIVWGLQFPVMDTLIMDAITEDVEHYIYKISYWMTNLSVAIGALLGGLMYGY--SMLLLFLIAACIFLIVLFILYIWLPQDRNQVK-Q--SDDKRHASRYQKLQIMNIFRS-YKLVLKDRNYMLLISGFSIIMMGEFSISSYIAIRLKDQFETISIGSYDITGAKMLAILLMINTVVVILLTYSISKVVLKIDFKKALITGLL---IYIVGYSGLTYL--NQFGLLVVFMIIATVGEIIYSPIVSEQRFKIIPKAKRGTYSAVNALGIHFSET-LARLGIVLGVFLTSLQMGLYMFIVLTIGASMLVAGVFGGQKQVNTN |
1PW4 Chain:A ((59-412)) | -----------------------------------GFSRGDLGFALSGISIAYGFSKFIMGSVSDRSNPRVFLPAGLILAAAVMLFMGFVPWA-TSSIAVMFVLLFLCGWFQGMGWPPCGRTMVHWWSQKERGGIVSVWNCAHNVGGGIPPLLFLLGMAWFNDWHAALYMPAFCAILVALFAFAMMRDTPQSCGLPPIEEYKND----------TAKQIFMQYVLPNKLLWYIAIANVFVYLLRYGILDWSPTYLKEVKHF---------ALDKSSWAYFLYEYAGIPGTLLCGWMSDKVFRGNRGATGVFFMTLVTIATIVYWMNPAGNPTVDMICMIVIGFLIYGPVMLIGLHALELAPKKAAGTAAGFTGLFGYLGGSVAASAI--VGYTVDFFG------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1PW4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -316354 for 2522 contacts (-125.4/contact) +
2D Compatibility (PS) -32513 + (NN) -2161 + (LL) 8284
1D Compatibility (HY) -17600 + (ID) 2050
Total energy: -362394.0 ( -143.69 by residue)
QMean score : 0.197
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