Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTKITNDLFLKAARKEQVDRIPVWYMRQAGRSQPEYRKLKEKYSLFEITHQPEICAYVTKLPVDQYGVDAAILYKDIMTPLPGMGVDVEIKSGIGPVIHNPIRSFQDVEKLTIFKPEI---EVPYVLDTIKLLADDMLD-VPLIGFAGAPFTLASYMIEGGPSKNYHQTKSFMYREPEVWAILMEKLGRMTANYLIAQINAGASAVQLFDSWVGALSRADYAEYIRPVIEMIVREVKA------VHPTTPIIMQAVGASHLLEEWETMPLDVVGVDWRETITSARKKV-PTKAIQGNLDPSTLLAPEKCLKEANRILQEGVLEPGYIFNLGHGVFPEVPPEMLKQLTNYIHERSEILLKKDDIK |
3GVQ Chain:A ((13-364)) | --ELKNDTFLRAAWGEETDYTPVWCMRQAGRYLPEFRETRAAQDFFSTCRSPEACCELTLQPLRRFPLDAAIIFSDILVVPQALGMEVTMVPGKGPSFPEPLREEQDLERLR--DPEVVASELGYVFQAITLTRQRLAGRVPLIGFAGAPWTLMTYMVEGGGSSTMAQAKRWLYQRPQASHQLLRILTDALVPYLVGQVVAGAQALQLFESHAGHLGPQLFNKFALPYIRDVAKQVKARLREAGLAP-VPMIIFAKDGHFALEELAQAGYEVVGLDWTVAPKKARECVGKTVTLQGNLDPCALYASEEEIGQLVKQMLDDFGPHRYIANLGHGLYPDMDPEHVGAFVDAVHKHSRLL------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3GVQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -237285 for 3028 contacts (-78.4/contact) +
2D Compatibility (PS) -36224 + (NN) -14941 + (LL) 1068
1D Compatibility (HY) -24800 + (ID) 6500
Total energy: -318682.0 ( -105.25 by residue)
QMean score : 0.531
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