Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDAQAAARLGDEIAHGFGVAAMVAGAVAGALIGAAVVAATAATGGLAAVILAGSIAAGGLSMFQIVKGLTTIFELPEPTTGVLIRGSFNVYVNSRNAMRAGDDVSATCSGLPLNHPLWPFPVLIAEGSATVYINGKPAARLQSKMVCGAHIKTGSQNTFIGGPTERVAFVLDLEEWLHTGLEALGLAALAGGLLLAAMAGVAALVGVVAIGGLMMGGMALLGDLGDRLGPGYRDLFQGVAGMALLGFGPKLAGRRPAAVTSETAQRRAYLNNKFGRSGNLDHDINYRGNRETAAKFFKSKDIDPADAESYMNGLDFNHPVRVETLAPGKNLWQYQSPGAPQGNWYTLSPRVQPTELGINPMGTNRAANTIEPKVLNSYRTTQKVEVLRSTAAPTDDFWSVKGQSYPAKGGAQQLFSNEKGSFGLLPREGS |
4QIU Chain:A ((32-67)) | ----------------------------------ALAAAVSNAGGLGSIAITGSAAEKGRALIREVRGLTDKPFNVNLFCHRPGQADPARERAWLDYLKPLFAEFGAEPPVRLKNIYLSFLEDPTLLPMLLEERPAAVSFHFGAPPRDQVRALQAVGIRVLVCATTPEEAALVEAAGADAVVAQGIEAGGCRGVFEPERGDAAIGTLALVRLLAARGSLPVVAAGGIMDGRGIRAALELGASAVQMGTAFVLCPESSANAAYREALKGPRAARTALTVTMSGRSARGLPNRMFFDAAAPGVPPLPDYPFVYDATKALQTAALARGNHDFAAQWAGQGAALARELPAAELLRTLVEELRG----------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4QIU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -18716 for 182 contacts (-102.8/contact) +
2D Compatibility (PS) -3928 + (NN) -1270 + (LL) 6380
1D Compatibility (HY) -1200 + (ID) 700
Total energy: -19434.0 ( -106.78 by residue)
QMean score : 0.161
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