Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKYIFVTGGVVSSIGKGITAASLGRLLKNRGLSVTIQKFDPYINVDPGTMSPYQHGEVYVTDDGAETDLDLGHYERFIDINLNKYSNVTTGKVYSEVIKKERRGDYLGGTVQVIPHITNELKDRVFRAARMTNSDIIITEIGGTVGDIESLPFLEAIRQIKGDVGAENVLYIHTTLIPYIKAAGEMKTKPTQHSVKELRSLGIQPNIIVVRTEQPVSQEMKDKIALFCDIKASEVIESRDEETLYNVPLSLQKQKMDDIVLEHLQLEAPQAEMTDWKNLVHRVKNLSKKVRIGLVGKYVSLQDAYLSVAEALRHAGYDHDAEIEIDWIDS---EKVTK-------ENVAEIMKDVDGILVPGGFGDRAIEGKIAAIEYARVNKVPYFGICLGMQLATVEFARNVLGLEGAHSAEIEPETNHNIIDLLPEQKNIENMGGTLRLGLYPARIK-QGTKAEAAYG-TTLVEERHRHRYEFNNEYREQMEEAGMIVSATSPDGRLVEVVELIDHPWFVACQYHPEFISRPNRPQSLFKDFVGAALKNK |
2V4U Chain:A ((297-550)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KICSIALVGKYTKLRDCYASVFKALEHSALAINHKLNLMYIDSIDLEKITETEDPVKFHEAWQKLCKADGILVPGGFGIRGTLGKLQAISWARTKKIPFLGV-LGMQLAVIEFARNCLNLKDADSTEFRPNAPVPLVIDMPEH-NPGNLGGTMRLGIRRTVFKTENSILRKLYGDVPFIEERHRHRFEVNPNLIKQFEQNDLSFVGQDVDGDRMEIIELANHPYFVGVQFHPEFSSRPMKPSPPYLGLLLAATGN- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2V4U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -107146 for 2006 contacts (-53.4/contact) +
2D Compatibility (PS) -26000 + (NN) -11208 + (LL) 19800
1D Compatibility (HY) -20000 + (ID) 5150
Total energy: -149704.0 ( -74.63 by residue)
QMean score : 0.557
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