Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKETLILLYGGRSAEREVSVLSAESVM---RAINYDKFFV--KTYFITQVGQFIKTQEFDEMPSSDEKLMTNQTVDLDKMVRPSDIYDDNAIVFPVLHGPMGEDGSIQGFLEVLRMPYVGTNILSSSVAMDKITTKQVLATVGVPQVAYQTYFEGDDLEHAIK----LSLETLSFPIFVKPANMGSSVGISKATDESSLRSAIDLALKYDSRILIEQGVTAREIEVGILGNNDVKTTFPGEVVKDVDFYDYDAKYIDNKITMDIPAKVDEATMEA-MRQYASKAFKAIGACGLSRCDFFLTKDGQIFLNELNTMPGFTQWSMYPLLWENMGLTYSDLIEKLVMLAKEMFEKRESHLI |
1IOW Chain:A ((3-305)) | ---DKIAVLLGGTSAEREVSLNSGAAVLAGLREGGIDAYPVDPKEVDVTQ----LKSMGFQK-------------------------------VFIALHGRGGEDGTLQGMLELMGLPYTGSGVMASALSMDKLRSKLLWQGAGLP-VAPWVALTRAEFEKGLSDKQLAEISALGLPVIVKPSREGSSVGMSKVVAENALQDALRLAFQHDEEVLIEKWLSGPEFTVAILGEEILPSI---RIQPSGTFYDYEAKFLSDETQYFCPAGL-EASQEANLQALVLKAWTTLGCKGWGRIDVMLDSDGQFYLLEANTSPGMTSHSLVPMAARQAGMSFSQLVVRILELAD----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1IOW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -170413 for 2465 contacts (-69.1/contact) +
2D Compatibility (PS) -32273 + (NN) -15644 + (LL) 3032
1D Compatibility (HY) -25600 + (ID) 5400
Total energy: -246298.0 ( -99.92 by residue)
QMean score : 0.470
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