Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKETLILLYGGRSAEREVSVLSAESVMRAINYD-KFFVKTYFITQVGQFIKTQEFDEM-------PSSDEKLMTNQTVDLDKMVRPSDIYDDNAIVFPVLHGPMGEDGSIQGFLEVLRMPYVGTNILSSSVAMDKITTKQVLATVGVPQVAYQTYFEGDDLE--HAIKLSLETLSFPIFVKPANMGSSVGISKATDESSLRSAIDLALKYDSRILIEQGVT-AREIEVGILGNNDVKTTFPGEVV-----KDVDFYDYDAKYIDN-KITMDIPAKVDEATMEAMRQYASKAFKAIGACGLSRCDFFLTKDGQIFLNELNTMPGFTQWSMYPLLWENMGLTYSDLIEKLVMLAKEMFEKRESHLI |
1EHI Chain:A ((3-362)) | --KKRVALIFGGNSSEHDVSKRSAQNFYNAIEATGKYEIIVFAIAQNGFFLDTESSKKILALEDEQPIVDAFMKTVDASDPLARIHALKSAGDFDIFFPVVHGNLGEDGTLQGLFKLLDKPYVGAPLRGHAVSFDKALTKELLTVNGIRNTKYIVVDPESANNWS--WDKIVAELGNIVFVKAANQGSSVGISRVTNAEEYTEALSDSFQYDYKVLIEEAVNGARELEVGVIGNDQPLVSEIGAHTVPNQGSGDGWYDYNNKFVDNSAVHFQIPAQLSPEVTKEVKQMALDAYKVLNLRGEARMDFLLDENNVPYLGEPNTLPGFTNMSLFKRLWDYSDINNAKLVDMLIDYGFEDFAQNKKLS- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1EHI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -173139 for 2832 contacts (-61.1/contact) +
2D Compatibility (PS) -37855 + (NN) -18631 + (LL) 572
1D Compatibility (HY) -20000 + (ID) 5550
Total energy: -254603.0 ( -89.90 by residue)
QMean score : 0.493
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