Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | --MGYASKLALKICLVGLCLFSTLGAEHLEQKGNYIYKGEEAYNNKEYERAASFYKSAIK---NGESLAYILLGIMYENGRGVPKDYKKAVEYFQKAVD--NDIPRGYNNLGVMYKEGKGVPKDEKKAVEYFRIATEK--GYTNAYINLGIMYMEGRGVPSNYAKATECFRKAMHK--GNVEAYILLGDIYYSGNDQLGIEPDKDKAVVYYKMAADVSSSRAYEGLSESYRYGLGVEKDKKKAEEYMQKACDFDIDKNCKKKNTSSR------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
3PE4 Chain:A ((7-720)) | THADSLNNLANIKREQG-----------------------------NIEEAVRLYRKALEVFPEFAAAHSNLASVLQQQGK-----LQEALMHYKEAIRISPTFADAYSNMGNTLKE----MQDVQGALQCYTRAIQINPAFADAHSNLASIHKD----SGNIPEAIASYRTALKLKPDFPDAYCNLAHCLQIVCD-----WTDYDERMKKLVSIVADQLEKNRLPSVHPHHSMLYPLSHGFRKAIAERHGNLCLDKINVLHKPPYEHPKDLKLSDGRLRVGYVSSDFGNHPTSHLMQSIPGMHNPDKFEVFCYALSPDDGTNFRVKVMAEANHFIDLSQIPCNGKAADRIHQDGIHILVNMNGYTKGARNELFALRPAPIQAMWLGYPGTSGALFMDYIITDQETSPAEVAEQYSEKLAYMPHTFFIGDHANMFPHLKKKAVIDFKIYDNRIVLNGIDLKAFLDSLPDVKIVKMLNMPVIPMNTIAEAVIEMINRGQIQITINGFSISNGLATTQINNKAATGEEVPRTIIVTTRSQYGLPEDAIVYCNFNQLYKIDPSTLQMWANILKRVPNSVLWLLRFPAVGEPNIQQYAQNMGLPQNRIIFSPVAPKEEHVRRGQLADVCLDTPLCNGHTTGMDVLWAGTPMVTMPGETLASRVAASQLTCLGCLELIAKNRQEYEDIAVKLGTDLEYLKKVRGKVWKQRISSPLFNTKQYTMELERLYLQMWEHYAAGNKPDHMIK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3PE4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -45623 for 1553 contacts (-29.4/contact) +
2D Compatibility (PS) -23077 + (NN) -14399 + (LL) 1860
1D Compatibility (HY) -400 + (ID) 1650
Total energy: -83289.0 ( -53.63 by residue)
QMean score : 0.453
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