Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNAFDKFYKKTVEERHAILAEYADLNEEEQAFLASTGALSFDKANHMIENTIGIYSLPLGLGMNMLLNDKRYVVPMAMEEPSVVAAQSAGAKLIAQNGGITGSATKRKMIGQIELISVSDIQAAKENIIANEEQLIAIANQAHPSLQKRGGGAVKIQVRTAQTANDETLFIVHLLVDTQEAMGANMVNTMVETLAPELEMLTNGTANMRILSNLVDEATATAVCRINPESLATKTQSGEWVRDRIIAAYEFADADIYRAATHNKGIMNGIDAVIMAFGNDWRAVEAASHAYAARTGSYKPMSKWSKDADGYLVGELTLPMPVAFVGGSIAIHPIASLSKKIARVESAKELAMLVCAVGLTQNLAALKALVTEGIQRGHMSLQAKSLAMTAGAEADEIEIVATFLQESKQLNVVAAKEFIAKLRSEK |
1R31 Chain:A ((28-378)) | ------------------------LSHDDVSLLANAGALPMDIANGMIENVIGTFELPYAVASNFQINGRDVLVPLVVEEPSIVAAASYMAKLARANGGFTTSSSAPLMHAQVQIVGIQDPLNARLSLLRRKDEIIELANRKDQLLNSLGGGCRDIEVHTFADTPRGPMLVAHLIVDVRDAMGANTVNTMAEAVAPLMEAITGGQVRLRILSNLADLRLARAQVRITPQQLETAEFSGEAVIEGILDAYAFAAVDPYRAATHNKGIMNGIDPLIVATGNDWRAVEAGAHAYACRSGHYGSLTTWEKDNNGHLVGTLEMPMPVGLVGGATKTHPLAQLSLRILGVKTAQALAEIAVAVGLAQNLGAMRALATEGIQ--------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1R31.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -216155 for 2957 contacts (-73.1/contact) +
2D Compatibility (PS) -38646 + (NN) -14561 + (LL) 7356
1D Compatibility (HY) -28800 + (ID) 8350
Total energy: -299156.0 ( -101.17 by residue)
QMean score : 0.496
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