Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLCGARANAKMMAAYNGGTSAAAAGHHHHHHHHLPHLPPPHLHHHHHPQHHLHPGSAAAVHPVQQHTSSAAAAAAAAAAAAAMLNPGQQQPYFPSPAPGQAPGPAAAAPAQVQAAAAATVKAHHHQHSHHPQQQLDIEPDRPIGYGAFGVVWSVTDPRDGKRVALKKMPNVFQNLVSCKRVFRELKMLCFFKHDNVLSALDILQPPHIDYFEEIYVVTELMQSDLHKIIVSPQPLSSDHVKVFLYQILRGLKYLHSAGILHRDIKPGNLLVNSNCVLKICDFGLARVEELDESRHMTQEVVTQYYRAPEILMGSRHYSNAIDIWSVGCIFAELLGRRILFQAQSPIQQLDLITDLLGTPSLEAMRTACE-GAKAHILRGPHKQPSLPVLYTLSSQATHEAVHLLCRMLVFDPSKRISAKDALAHPYLDEGRLRYHTCMCKCCFSTSTGRVYTSDFEPVTNPKFDDTFEKNLSSVRQVKEIIHQFILEQQKGNRVPLCINPQSAAFKSFISSTVAQPSEMPPSPLVWE |
4N4S Chain:B ((30-314)) | -----------------------------------------------------------------------------------------------------------------------------------------------IGEGAYGMVCSAYDNLNKVRVAIKKI-SPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVADLMETDLYKLLKT-QHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKILDFGLARVADP----------ATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKN-KVP-WNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKELIFEETARFQPGY------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4N4S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -187131 for 2059 contacts (-90.9/contact) +
2D Compatibility (PS) -29116 + (NN) -14735 + (LL) 11540
1D Compatibility (HY) -30000 + (ID) 6500
Total energy: -255942.0 ( -124.30 by residue)
QMean score : 0.515
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