Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEAPRIQLLSPRLANQIAAGEVVERPASVAKELLENSLDAGSRRIDVEVEQGGIKLLRVRDDGRGIPADDLPLALARHATSKIRELEDLERVMSLGFRGEALASISSVARLTMTSRTADAGEAWQVETEGRDMQPRVQPAAHPVGTSVEVRDLFFNTPARRKFLRAEKTEFDHLQEVIKRLALARFDVAFHLRHNGKTIFALHEARDELARARRVGAVCGQAFLEQALPIEVERNGLHLWGWVGLPTFSRSQPDLQYFYVNGRMVRDKLVAHAVRQAYRDVLYNGRHPTFVLFFEVDPAVVDVNVHPTKHEVRFRDSRMVHDFLYGTLHRALGEVRPDDQLAPPGATSLTEPRPTGAAAGEFGPQGEMRLAESVLESPAARVGWSGGSSASGGSSGYSAYTRPEAPPSLAEAGGAYKAYFAPLPAGEAPAALPESAQDIPPLGYALAQLKGIYILAENAHGLVLVDMHAAHERITYERLKVAMA-SEGLRGQPLLVPESIAVSEREADCAEEHSSWFQRLGFELQRLGPESLAIRQIPALLKQAEATQLVRDVIADLLEYGTSDRIQAHLNELLGTMACHGAVRANRRLTLPEMNALLRDMEITERSGQCNHGRPTWTQLGLDELDKLFLRGR |
3NCV Chain:A ((463-654)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ELPPLGFAIAQLLGIYILAQAEDSLLLIDMHAAAERVNYEKMKRQRQENGNLQSQHLLIPVTFAASHEECAALADHAETLAGFGLELSDMGGNTLAVRAAPVMLGKSDVVSLARDVLGELAQVG-----ASHENRILATMSCHGSIRAGRRLTLPEMNALLRDMENTPRSNQCNHGRPTWVKLTLKELDTLF---- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NCV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -104767 for 1402 contacts (-74.7/contact) +
2D Compatibility (PS) -20141 + (NN) -6275 + (LL) 29020
1D Compatibility (HY) -17600 + (ID) 4750
Total energy: -124513.0 ( -88.81 by residue)
QMean score : 0.485
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