Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKYIFVTGGVVSSIGKGITAASLGRLLKNRGLSVTIQKFDPYINVDPGTMSPYQHGEVYVTDDGAETDLDLGHYERFIDINLNKYSNVTTGKVYSEVIKKERRGDYLGGTVQVIPHITNELKDRVFRAARMT------NSDIIITEIGGTVGDIESLPFLEAIRQIKGDVGAENVLYIHTTLIPYIKAAGEMKTKPTQHSVKELRSLGIQPNIIVVRTEQPVSQEMKDKIALFCDIKASEVIESRDEETLYNVPLSLQKQKMDDIVLEHLQLEAPQAEMTDWKNLVHRVKNLSKKVRIGLVGKYVSLQDAYLSVAEALRHAGYDHDAEIEIDWIDSEKVTKENVAEIMKDVDGILVPGGFGDRAIEGKIAAIEYARVNKVPYFGICLGMQLATVEFARNVLGLEGAHSAEIEPETNHNIIDLLPEQKNIENMGGTLRLGLYPARIKQGTKAEAAYGTTLVEERHRHRYEFNNEYREQMEEAGMIVSATSPDGRLVEVVELIDHPWFVACQYHPEFISRPNRPQSLFKDFVGAALKNK |
3IHL Chain:B ((2-272)) | --KYILVTGGVISGIGKGIIASSIGTILKSCGLRVTAIKIDPYINIDAGTFSPYEHGEVFVLNDGGE--------------------------------------------VQVVPHITDAVQEWVMNQAKVPVDGNKEEPQICVIELGGTIGDIEGMPFVEAFRQFQFKAKRENFCNIHVSLVPQLSATGEQKTKPTQNSVRALRGLGLSPDLIVCRSSTPIEMAVKEKISMFCHVNPEQVICIHDVSSTYRVPVLLEEQSIVKYFKERLHL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IHL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -113026 for 1676 contacts (-67.4/contact) +
2D Compatibility (PS) -23754 + (NN) -8464 + (LL) 21116
1D Compatibility (HY) -26400 + (ID) 5450
Total energy: -155978.0 ( -93.07 by residue)
QMean score : 0.446
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