Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLSNAQRALIKATVPLLETGGEALITHFYRTMLGEYPEVRPLFNQAHQASGDQPRALANGVLMYARHIDQLQELGPLVAKVVNKHVSLQVLPEHYPIVGTCLLRAIREVLGEQIATDEVLEAWGAAYQQLADLLIEAEESVYAASAQADGGWRGVRRFRVARKQAESEEITSFYLEPVDGQPLLAFQPGQYIGLRLDIDGEEVRRNYSLSAASNGREYRISVKREAGGRVSNYLHDRVAEGDELDLFPPAGDFVLRDSDKPLVLITAGVGITPALAMLQEALPQARPIRFIHCARHGGVHAFRDWIEDVSAQHEQVEHFFCYSEPRAGDSADAEGLLSREKLADWLPQERDLDAYFLGPRPFMAQVKRHLADLGVPSQQCHYEFFGPAAALDA |
1VHB Chain:B ((2-145)) | -LDQQTINIIKATVPVLKEHGVTITTTFYKNLFAKHPEVRPLF---------QPKALAMTVLAAAQNIENLPAILPAVKKIAVKHCQAGVAAAHYPIVGQELLGAIKEVLGDA-ATDDILDAWGKAYGVIADVFIQVEADLYAQAV------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1VHB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -111606 for 950 contacts (-117.5/contact) +
2D Compatibility (PS) -14237 + (NN) -7951 + (LL) 16008
1D Compatibility (HY) -13200 + (ID) 3200
Total energy: -134186.0 ( -141.25 by residue)
QMean score : 0.673
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