Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNAFDKFYKKTVEERHAILAEYADLNEEEQAFLASTGALSFDKANHMIENTIGIYSLPLGLGMNMLLNDKRYVVPMAMEEPSVVAAQSAGAKLIAQNGGITGSATKRKMIGQIELISVSDIQAAKENIIANEEQLIAIANQAHPSLQKRGGGAVKIQVRTAQTANDETLFIVHLLVDTQEAMGANMVNTMVETLAPELEMLTNGTANMRILSNLVDEATATAVCRINPESLATKTQSGEWVRDRIIAAYEFADADIYRAATHNKGIMNGIDAVIMAFGNDWRAVEAASHAYAARTGSYKPMSKWSKDADGYLVGELTLPMPVAFVGGSIAIHPIASLSKKIARVESAKELAMLVCAVGLTQNLAALKALVTEGIQRGHMSLQAKSLAMTAGAEADEIEIVATFLQESKQLNVVAAKEFIAKLRSEK |
1R31 Chain:B ((28-377)) | ------------------------LSHDDVSLLANAGALPMDIANGMIENVIGTFELPYAVASNFQINGRDVLVPLVVEEPSIVAAASYMAKLARANGGFTTSSSAPLMHAQVQIVGIQDPLNARLSLLRRKDEIIELANRKDQLLNSLGGGCRDIEVHTFADTPRGPMLVAHLIVDVRDAMGANTVNTMAEAVAPLMEAITGGQVRLRILSNLADLRLARAQVRITPQQLETAEFSGEAVIEGILDAYAFAAVDPYRAATHNKGIMNGIDPLIVATGNDWRAVEAGAHAYACRSGHYGSLTTWEKDNNGHLVGTLEMPMPVGLVGGATKTHPLAQLSLRILGVKTAQALAEIAVAVGLAQNLGAMRALATEGI---------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 1R31.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -213697 for 2955 contacts (-72.3/contact) +
2D Compatibility (PS) -38494 + (NN) -14598 + (LL) 7476
1D Compatibility (HY) -28800 + (ID) 8300
Total energy: -296413.0 ( -100.31 by residue)
QMean score : 0.529
|
|
|