Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNLHYLVEILYIISFSLFIYGLMGLTGPKTAVRGNLIAAAGMTIAVAATLVMIRHTSQWPLIIAGLVVGVVLGVPPARLTKMTAMPQLVAFFNGVGGGTVALIALSEFIDTTGFSAFQHGESPTVHIVVASLFAAIIGSISFWGSIVAFGKLQEIISGRPIGLGKAQQPINLLLLAVAVAAAVVIGLHAHPGSGGVALWWMIGLLVAAGVLGLMVVLPIGGADMPVVISMLNAMTGLSAAAAGLALNNTAMIVAGMIVGASGSILTNLMAKAMNRSIPAIVAGGFGGGGVAPSGGGDDKHVKATSAADAAIQMAYANQVIVVPGYGLAVAQAQHAVKDLATLLEDRGVPVKYAIHPVAGRMPGHMNVLLAEAEVDYDAMKDMDDINDEFARTDVTIVIGANDVTNPAARNETSSPIYGMPILNVDKSRSVIVLKRSMNSGFAGIDNPLFYADGTTMLFGDAKKSVTEVSEELKAL |
1PNQ Chain:B ((4-175)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IEGRHM-AGSAEDAAFIMKNASKVIIVPGYGMAVAQAQHALREMADVLKKEGVEVSYAIHPVAGRMPGHMNVLLAEANVPYDEVFELEEINSSFQTADVAFVIGANDVTNPAAKTDPSSPIYGMPILDVEKAGTVLFIKRSMASGYAGVENELFFRNNTMMLFGDAKKMTEQI------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1PNQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -115730 for 1475 contacts (-78.5/contact) +
2D Compatibility (PS) -19531 + (NN) -13990 + (LL) 23024
1D Compatibility (HY) -21200 + (ID) 5150
Total energy: -152577.0 ( -103.44 by residue)
QMean score : 0.610
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