Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MASHAGSRIARISKVLVANRGEIAVRVIRAARDAGLPSVAVYAEPDAESPHVRLADEAFALGGQTSAESYLDFAKILDAAAKSGANAIHPGYGFLAENADFAQAVIDAGLIWIGPSPQSIRDLGDKVTARHIAARAQAPL-VPGTPDPVKGADEVVAFAEEYGLPIAIKAAHGGGGKGMKVARTIDEIPELYESAVREATAAFGRGECYVERYLDKPRHVEAQVIADQHGNVVVAGTRDCSLQRRYQKLVEEAPAPFLTDFQRKEIHDSAKRICKEAHYHGAGTVEYLVGQD-GLISFLEVNTRLQVEHPVTEETAGIDLVLQQFRIANGEKLDITE-DPTPRGHAIEFRINGEDAGRNFLPAPGPVTKFHPPSGPGVRVDSGVETGSVIGGQFDSMLAKLIVHGADRAEALARARRALNEFGVEGLATVIPFHRAVVSDPAFIGDANGFSVHTRWIETEWNNTIEPFTDGEPLDEDARPRQKVVVEIDGRRVEVSLPADLALSNGGGCDPVGVIRRKPKPRKRGAHTGAAASGDAVTAPMQGTVVKFAVEEGQEVVAGDLVVVLEAMKMENPVTAHKDGTITGLAVEAGAAITQGTVLAEIK |
3VA7 Chain:A ((28-480)) | --------KKPFETVLIANRGEIAVRIMKTLKRMGIKSVAVYSDPDKYSQHVTDADFSVALHGRTAAETYLDIDKIINAAKKTGAQAIIPGYGFLSENADFSDRCSQENIVFVGPSGDAIRKLGLKHSAREIAERAKVPLVP-------------------------------------------------------------------------NARHVEIQMMGDGFGKAIAIGERDCSLQRRNQKVIEETPAPNLPEATRAKMRAASERLGSLLKYKCAGTVEFIYDEQRDEFYFLEVNARLQVEHPITEMVTGLDLVEWMLRIAANDSPDFDNTKIEVSGASIEARLYAENPVKDFRPSPGQLTSVSFPS--WARVDTWVKKGTNVSAEYDPTLAKIIVHGKDRNDAIMKLNQALNETAVYGCITNIDYLRSIASSKMFKEAK----VATKVLDSFD---------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3VA7.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -157604 for 3299 contacts (-47.8/contact) +
2D Compatibility (PS) -39942 + (NN) -10019 + (LL) 12332
1D Compatibility (HY) -25200 + (ID) 8200
Total energy: -228633.0 ( -69.30 by residue)
QMean score : 0.461
|
|
|