Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIEADYLVIGAGIAGASTGYWLSAHG-RVVVLEREAQPGYHSTGRSAAHYTVAYGTPQVRALTAASRAFFDN------PPAGFCE--HPLLSPRPEMVVDFSDDPEELRRQYESGKALVPQMRLLDAEQACSIVPVLRRDKVFGATYDPTGADIDTDALHQGYLRGIRRNQGQVLCNHEALEIR---RVDGAWEVRCDAGSYRAAVLVNAAGAWCDAIAGLAGV-RPLGLQPKRRSAFIFAPPPGIDC--HDWPMLVSLDESFYLKPDA-GMLLGSPANADPVE------AHDVQP---------------EQLDIATGMY-LIEEATTLTIRRPEHTWA-GLRSFVADGDLVAGYAANAEGFFWVAAQGGYGIQTSAAMGEASAALIRHQPLPAHLREHGLDEAMLSPRRLSP |
4PAB Chain:A ((45-421)) | ---AETVIIGGGCVGVSLAYHLAKAGMRDVVLLEKSELTAGSTWHAAGLTTYFHPGINLKKIHYDSIKLYERLEEETGQVVGFHQPGSIRLATTPERV-------DEFKYQMTRTNWHATEQYIIEPEKIHELFPLLNMDKILAGLYNPGDGHIDPYSLTMALATGARKYG--VLLKYPAPVTSLKPRPDGTWDVETPQGSVRANRIVNAAGFWAREVGKMIGLDHP--LIPVQHQYVVTSTIPEVKALKRELPVLRDLEGSYYLRQERDGLLFGPYESQEKMKLQASWVAHGVPPGFGKELFESDLDRITEHVEAAMEMVPVLKKADIINIVNGPITYSPDILPMVGPHQGVRNY--------WVAIGFGYGIIHAGGVGKYLSDWILHGEPPFDLIE--------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PAB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -170382 for 2867 contacts (-59.4/contact) +
2D Compatibility (PS) -35301 + (NN) -5039 + (LL) 1588
1D Compatibility (HY) -21200 + (ID) 4800
Total energy: -235134.0 ( -82.01 by residue)
QMean score : 0.455
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