Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MAHLRGFANQHSRVDPEELFTKLDRIGKGSFGEVYKGIDNHTKEVVAIKIIDLEEAEDEIEDIQQEITVLSQ-CDSPYITRYFGSYLKST----KLWIIMEYLGGGSALDLLKP---GPLEETYIATILREILKGLDYLHSERKIHRDIKAANVLLSEQGDVKLADFGVAGQLTDTQIKRNTFVGTPFWMAPEVIK-----QSAYDFKADIWSLGITAIELAKGEPPNSDLHPMRVLFLIPKNSPPTL-EGQHSKPFKEFVEACLNKDPRFRPTAKELLKHKFITRYTKKTSFLTELIDRYKRW-KSEGHGEESSSEDSDIDGEAEDGEQGPIWTFPPTIRPSPHSKLHKGTALHSSQKPAEPVKRQPRSQCLSTLVRPVFGELKEKHKQSGGSVGALEELENAFSLAEESCPGISDKLMVHLVERVQRFSHNRNHLTSTR |
| 4U45 Chain:A ((21-312)) | --------------DPAGIFELVEVVGNGTYGQVYKGRHVKTGQLAAIKVMDV--TEDEEEEIKLEINMLKKYSHHRNIATYYGAFIKKSPPDDQLWLVMEFCGAGSITDLVKNTKGNTLKEDWIAYISREILRGLAHLHIHHVIHRDIKGQNVLLTENAEVKLVDFGVSA---------NTFIGTPYWMAPEVIACDENPDATYDYRSDLWSCGITAIEMAEGAPPLCDMHPMRALFLIPRNPPPRLKSKKWSKKFFSFIEGCLVKNYMQRPSTEQLLKHPFIRDQPNERQVRIQLKDHIDRTRK--------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4U45.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -130599 for 2219 contacts (-58.9/contact) +
2D Compatibility (PS) -28800 + (NN) -18585 + (LL) 8052
1D Compatibility (HY) -26800 + (ID) 6500
Total energy: -203232.0 ( -91.59 by residue)
QMean score : 0.541
|
|
|