Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKISKFVFLFLFCLGFNLQASGTLNIEEVITRKGFKFLFVENCDLPKVSLNISFKDAGYAYENVEKQGLTWFTSLAIQEGAGKNDA-KDFAKKLEDKGISLNFIAGLEAFRASLNTLSENLEEAVSLLSDAIMHPKVDLEGLNRAFEKAKVNFNNLEKDPYFIAGKELNTLLFKKHPYSKSEYGILDTIMS------I-TRDDVLAYVKRNFTKDNIVISVVGCTTKEEVSALLDKYLSKLPLKRSKVRKIPVKN-NFG-PAESKNIFMDIPQSVIFFAQKGIAYE-DPDYYSASVLINALGGMGLNSILMKELRQNLGITYGVFAHIIPN-KHGNAIVGNMSTDSST---AGKAILAVKDTLSRIKREGIDEQLFKDAKTILVNNLTF-FLSNNTNTAMLLDDMQINDRDVNRINNYADIINDVKLEKVNELASSLLDPENLFFVKVGRNT |
3CWW Chain:A ((30-455)) | --------------------EDKREYRGLELANGIKVLLISDPTTDKSSAALDVH-IGSLSDPPNIAGLSHFLQHMLFLGTKKYPKENEYSQFLSEHAGSSNAFTSGEHTNYYFDVSHEHLEGALDRFAQFFLSPLFDESAKDREVNAVDSEHEKNVMNDAWRLFQLEKATGNPKHPFSKFGTGNKYTLETRPNQEGIDVRQELLKFHSAYYSSNLMAVVVLGRESLDDLTNLVVKLFSEVENKNVPLPEFPEHPFQEEHLKQLYKIVPIKDIRNLYVTFPIPDLQKYYKSNPGHYLGHLIGH-EGPGSLLSELKS-KGWVNTLVGGQKAGARGFMFFIINVDLTEEGLLHVEDIILHMFQYIQKLRAEGPQEWVFQELKDLNAVAFRFKDKERPRGYTSKIAGILHY-YPLEEVLTAEYLLEEFRPDLIEMVLDK-LRPENVRVAIVSKSF |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CWW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -126433 for 3334 contacts (-37.9/contact) +
2D Compatibility (PS) -44479 + (NN) -23652 + (LL) 2288
1D Compatibility (HY) -8000 + (ID) 3000
Total energy: -203276.0 ( -60.97 by residue)
QMean score : 0.432
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