Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLSNAQRALIKATVPLLETGGEALITHFYRTMLGEYPEVRPLFNQAHQASGDQPRALANGVLMYARHIDQLQELGPLVAKVVNKHVSLQVLPEHYPIVGTCLLRAIREVLGEQIATDEVLEAWGAAYQQLADLLIEAEESVYAASAQADGGWRGVRRFRVARKQAESEEITSFYLEPVDGQPLLAFQPGQYIGLRLDIDGEEVRRNYSLSAASNGREYRISVKREAGGRVSNYLHDRVAEGDELDLFPPAGDFVLRDSDKPLVLITAGVGITPALAMLQEALPQ-ARPIRFIHCARHGGVHAFRDWIEDVSAQHEQVEHFFCYSEPRAGDSA----DAEGLLSREKLADWLPQERDLDAYFLGPRPFMAQVKRHLADLGVPSQQCHYEFFGPAAALDA |
1CQX Chain:A ((262-403)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DVDAKTPIVLISGGVGLTPMVSMLKVALQAPPRQVVFVHGARNSAVHAMRDRLREAAKTYENLDLFVFYDQPLPEDVQGRDYDYPGLVDVKQIEKSILLP-DADYYICGPIPFMRMQHDALKNLGIHEARIHYEVFGPDLFAE- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1CQX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -114259 for 1010 contacts (-113.1/contact) +
2D Compatibility (PS) -15146 + (NN) -8753 + (LL) 18752
1D Compatibility (HY) -11600 + (ID) 2450
Total energy: -133456.0 ( -132.13 by residue)
QMean score : 0.528
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