Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKYIFVTGGVVSSIGKGITAASLGRLLKNRGLSVTIQKFDPYINVDPGTMSPYQHGEVYVTDDGAETDLDLGHYERFIDINLNKYSNVTTGKVYSEVIKKERRGDYLGGTVQVIPHITNELKDRVFRAARMTNSDIIITEIGGTVGDIESLPFLEAIRQIKGDVGAENVLYIHTTLIPYIKAAGEMKTKPTQHSVKELRSLGIQPNIIVVRTEQPVSQEMKDKIALFCDIKASEVIESRDEETLYNVPLSLQKQKMDDIVLEHLQLEAPQAEMTDWKNLVHRVKNLSKKVRIGLVGKYVSLQDAYLSVAEALRHAGYDHDAEIEIDWIDS---EKVTK-------ENVAEIMKDVDGILVPGGFGDRAIEGKIAAIEYARVNKVPYFGICLGMQLATVEFARNVLGLEGAHSAEIEPETNHNIIDLLPEQKNIENMGGTLRLGLYPARIK-QGTKAEAAYG-TTLVEERHRHRYEFNNEYREQMEEAGMIVSATSPDGRLVEVVELIDHPWFVACQYHPEFISRPNRPQSLFKDFVGAALKNK |
2VKT Chain:A ((297-550)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KICSIALVGKY-KLRDCYASVFKALEHSALAINHKLNLMYIDSIDLEKITETEDPVKFHEAWQKLCKADGILVPGGFGIRGTLGKLQAISWARTKKIPFLGVCLGMQLAVIEFARNCLNLKDADSTEFRPNAPVPLVIDMPEH--------TMRLGIRRTVFKTENSILRKLYGDVPFIEERHRHRFEVNPNLIKQFEQNDLSFVGQDVDGDRMEIIELANHPYFVGVQFHPEFSSRPMKPSPPYLGLLLAATGN- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2VKT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -119645 for 1952 contacts (-61.3/contact) +
2D Compatibility (PS) -25352 + (NN) -11191 + (LL) 19948
1D Compatibility (HY) -20800 + (ID) 5000
Total energy: -162040.0 ( -83.01 by residue)
QMean score : 0.545
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