Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTASAASSSSSSSAGEMIEAPSQVLNFEEIDYKEIEVEEVVGRGAFGVVCKAKWRAKDVAIKQIE----SESERKAFIVELRQLSRVNHPNIVKLYGACLNP-VCLVMEYAEGGSLYNVLHGAEPLPYYTAAHAMSWCLQCSQGVAYLHSMQPKALIHRDLKPPNLLLVAGGTVLKICDFGTACDIQTHMTNNKGSAAWMAPEVF--EGSN-YSEKCDVFSWGIILWEVITRRKPFDEIGGPAFRIMWAVHNGTRPPLI----KNLPKPIESLMTRCWSKDPSQRPSMEEIVKIMTHLMRYFPGADEPLQYPCQYSDEGQSNSATSTGSFMDIASTNTSNKSDTNMEQVPATNDTIKRLESKLLKNQAKQQSESGRLSLGASRGSSVESLPPTSEGKRMSADMSEIEARIAATTAYSKPKRGHRKTASFGNILDVPEIVISGNGQPRRRSIQDLTVTGTEPGQVSSRSSSPSVRMITTSGPTSEKPTRSHPWTPDDSTDTNGSDNSIPMAYLTLDHQLQPLAPCPNSKESMAVFEQHCKMAQEYMKVQTEIALLLQRKQELVAELDQDEKDQQNTSRLVQEHKKLLDENKSLSTYYQQCKKQLEVIRSQQQKRQGTS |
4JVG Chain:A ((12-283)) | -----------------------------EIPDGQITVGQRIGSGSFGTVYKGKWHG-DVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTKPQLAIVTQWCEGSSLYHHLHASET--KFEMKKLIDIARQTARGMDYLHA---KSIIHRDLKSNNIFLHEDNTV-KIGDFGLAT-VKS-------SILWMAPEVIRMQDSNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRD-QIIEMVGRGSLSPDLSKVRSNCPKRMKRLMAECLKKKRDERPSFPRILAEIEELARELS-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4JVG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -177407 for 1892 contacts (-93.8/contact) +
2D Compatibility (PS) -26607 + (NN) -14548 + (LL) 18376
1D Compatibility (HY) -19600 + (ID) 4650
Total energy: -224436.0 ( -118.62 by residue)
QMean score : 0.423
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