Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINITNNEKVVVKILKPVKK-KKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTDFKQLYQ----TLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAEFYH-PGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWRLGCMLASMIFRKEPFFHGRDNYDQLVRIAKFLGTEDLYGYIDKYNIELDPRFNDILGRHSRKRWERFVHS----ENQHLVSPEALDFLDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSSSMPGGSTPVSSANVMSGISSVPTPSPLGPLAGSPVIAAANPLGMPVPAATGAQQ |
4AU8 Chain:A ((5-292)) | -----------------------------------SQKYEKLEKIGEGTYGTVFKAKNRETHEIVALKRV-----PSSALREICLLKELK-HKNIVRLHDVLH-----KLTLVFEFCDQ-DLKKYFDSCNGDLDPEIVKSFLFQLLKGLGFCHSRNVLHRDLKPQNLLINRNG-ELKLADFGLARAFGIPVR--SAEVVTLWYRPPDVLFGAKLYSTSIDMWSAGCIFAELANAGRPLFPGNDVDDQLKRIFRLLGTPTEEQW---------PSMTKLP---DYKPYPMYPATTSLVNVVPKLNATGRDLLQNLLKCNPVQRISAEEALQHPYFSDF---------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AU8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -163529 for 2145 contacts (-76.2/contact) +
2D Compatibility (PS) -28084 + (NN) -7106 + (LL) 4344
1D Compatibility (HY) -22400 + (ID) 4250
Total energy: -221025.0 ( -103.04 by residue)
QMean score : 0.658
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