Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLGSLGLWALLPTAVEAPPNRRTCVFFEAPGVRGSTKTLGELLDTGTELPRAIRCLYSRCCFGIWNLTQDRAQVEMQGCRDSDEPGCESLHCDPSPRAHPSPGSTLFTCSCGTDFCNANYSHLPPPGSPGTPGSQGPQAAPGESIWMALVLLGLFLLLLLLLGSIILALLQRKNYRVRGEPVPEPRPDSGRDWSVE---LQELPELCFSQVIREGGHAVVWAGQLQGKLVAIKAFPPRSVAQFQAERALYELPGLQHDHIVRFITASRGGPGRLLSGPLLVLELHPKGSLCHYLTQYTSDWGSSLRMALSLAQGLAFLHEE--RWQNGQYKPGIAHRDLSSQNVLIREDGSCAIGDLGLALVLPGLTQPPAWTPTQPQGPAAIMEAGTQRYMAPELLDKTLDLQDWGMALRRADIYSLALLLWEILSRCPDLRPDSSPPPFQLAYEAELGNTPTSDELWALAVQERRRPYIPSTWRCFATDPDGLRELLEDCWDADPEARLTAECVQQRLAALAHPQESHPFPESCPRGCPPLCPEDCTSIPAPTILPCRPQRSACHFSVQQGPCSRNPQPACTLSPV |
3SOC Chain:B ((10-316)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SGVDLGTENLYFQSMP-LQLLEVKARGRFGCVWKAQLLNEYVAVKIFPIQDKQSWQNEYEVYSLPGMKHENILQFIGAEKRGTSVDVD-LWLITAFHEKGSLSDFLKANVVSWNELCHIAETMARGLAYLHEDIPGLKDG-HKPAISHRDIKSKNVLLKNNLTACIADFGLALKFEA---GKSA--THGQ-------VGTRRYMAPEVLEGAINFQR--DAFLRIDMYAMGLVLWELASRCT--AADGPVDEYMLPFEEEIGQHPSLEDMQEVVVHKKKRPVLRDYWQKHAGMA-MLCETIEECWDHDAEARLSAGCVGERITQMQRLT------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SOC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -163981 for 2477 contacts (-66.2/contact) +
2D Compatibility (PS) -32686 + (NN) -23385 + (LL) 10124
1D Compatibility (HY) -26000 + (ID) 5600
Total energy: -241528.0 ( -97.51 by residue)
QMean score : 0.440
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