Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKLNIALLGLGTVGSGVVKIIEENRQ---------QIQD---TLNKDIVIKHILVRDKSKKRPLNISQYHLTE-DVNEILNDDSLDIIVEVMGGIEPTVDWLRTALKNKKHVITANKDLLAVHLKLLEDLAEENGVALKFEASVAGGIPIVNAINNGLNANNISKFMGILNGTSNFILSKMTKEQTTFEEALDEAKRLGFAEADPTDDVEGVDAARKVVITSYLSFNQVIKLNDVKRRGISGVTLTDINVADQLGYKIKLIGKGIYENGKVNASVEPTLIDKKHQLAAVEDEYNAIYVIGDAVGDTMFYGKGAGSLATGSAVVSDLLNVALFFESDLHTLPPHFELKTDKTREMMDSDAEINIKEKSNFFVVVNHVKGSIENFENELKAILPFHRSLRVANYDNQSYAAVIVGLESSPEELITKHGYEVDKVYPVEGV |
4XB1 Chain:A ((18-331)) | --KVNISIFGFGTVGRALAEIIAEKSRIFGVELNVISITDRSGTIWGDFDLLEAKEVKESTGKLSNIGDYEVYNFSPQELVEEVKPNILVDVSSWDEAH-EMYKVALGEGISVVTSNKPPIANYYDELMNLAKENNAGIFFESTVMAGTPIIGVLRENLLGENIKRIDAVVNASTTFILTKMS-EGKTLDDAIEEAKSLGILEEDPSKDIDGIDAYYKAKILHWVSYGE--PPEEEERLGIREV---------RDARNVRLVAQ--VSKGKI--SVKPRKLSSDNPL-LVEGVQNAAVIRTNNLGEVILKGPGGGGRVTASGVFTDIIKATLKF--------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4XB1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157165 for 2590 contacts (-60.7/contact) +
2D Compatibility (PS) -31841 + (NN) -4410 + (LL) 8744
1D Compatibility (HY) -19200 + (ID) 4700
Total energy: -208572.0 ( -80.53 by residue)
QMean score : 0.435
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