Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRKHTAITTFILLGLTEDPQLQVLLFMFLFITYMLSVTGKLTIIALTMLDPHLKTPMYFFLQNLSFLEI-----SFTATCVPRFLYSISTGNKIITYNACVIQLFFADLFGVTEFFLLATMSYDRYVAICKPLHYMAIMSNKVCKTMVICCWMAALMIILPPLSLGFHLEFCDSNVINHFGCDALPILKIPCSDTSLIEQMVVASAVLTFIITLVCVVLSYTYIIRTILKFPSVQQKKKAFSTCSSHIT-----------VVSITYGSCIFIYIKPSAKEEVNINKGVSVLISSISPMLNSFIYTLRNEQVKQAFHDSLKKIAFRLKK |
2HPY Chain:A ((36-316)) | -----------------EPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGGFTTT-----LYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRFGENHAIMGVAF-TWVMALACAAPPL-VGWS-RYIPEGMQCSCGID----YYTPHEETN-NESFVIYMFVVHFIIPLIVIFFCYGQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLCCGKNPLGD |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HPY.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -196572 for 2014 contacts (-97.6/contact) +
2D Compatibility (PS) -26563 + (NN) -5769 + (LL) 2872
1D Compatibility (HY) 1600 + (ID) 600
Total energy: -225032.0 ( -111.73 by residue)
QMean score : 0.134
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