Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRSGAERRGSSAAASPGSPPPGRARPAGSDAPSALPPPAAGQPRARDSGDVRSQPRPLFQWSKWKKRMGSSMSAATARRPVFDDKEDVNFDHFQILRAIGKGSFGKVCIVQK---RDTEKMYAMKYMNKQQCIERDEVRNVFRELEILQEIEHVFLVNLWYSFQDEEDMFMVVDLLLGGDLRYHLQQNVQFSEDTVRLYICEMALALDYLRGQHIIHRDVKPDNILLDERGHAHLTDFNIATIIKDGERATALAGTKPYMAPEIFHSFVNGGTGYSFEVDWWSVGVMAYELLRGWRPYDIHSSNAVESLVQLFSTVSVQYVPTWSKEMVALLRKLLTVNPEHRLSS----LQDVQAAPALAGVLWDHLSEKRVEPGFVPNKGR-LHCDPTFELEEMILESRPLHKKKKRLAKNKSRDNSRDSSQSENDYLQDCLDAIQQDFVIFNREKLKRSQDLPREPLPAPESRDAAEPVEDEAERSALPMCGPICPSAGSG |
5D9K Chain:B ((32-323)) | --------------------------------------------------------------------------------------------FELLKVLGQGSFGKVFLVKKISGSDARQLYAMKVLKKATLKVRDRVRTKM-ERDILVEVNHPFIVKLHYAFQTEGKLYLILDFLRGGDLFTRLSKEVMFTEEDVKFYLAELALALDHLHSLGIIYRDLKPENILLDEEGHIKLTDFGLSKE----------CGTVEYMAPEVVNR-----RGHTQSADWWSFGVLMFEMLTGTLPFQGKDRKETMTMILKAKLGMPQFL---SPEAQSLLRMLFKRNPANRLGAGPDGVEEIKRHSFFSTIDWNKLYRREIHPPFKP----TFYFDP--------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 5D9K.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -176654 for 2062 contacts (-85.7/contact) +
2D Compatibility (PS) -27997 + (NN) -10114 + (LL) 8396
1D Compatibility (HY) -24400 + (ID) 5300
Total energy: -236069.0 ( -114.49 by residue)
QMean score : 0.474
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