Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSTASAASSSSSSSAGEMIEAPSQVLNFEEIDYKEIEVEEVVGRGAFGVVCKAKWRAKD-VAIKQIESESERKAFIVELRQLSRVNHPNIVKLYGACLN-PVCLVMEYAEGGSLYNVLHGAEPLPYYTAAHAMSWCLQCSQGVAYLHSMQPKALIHRDLKPPNLLLVAGGTVLKICDFGTACDIQTHMTNNKGSAAWMAPEVFEGSNYSEKCDVFSWGIILWEVITRRK-PFDEIGGPAFRIMWAVHNGTRPPLIKNLPKPIESLMTRCWSKDPSQRPSMEEIVKIMTHLMRYFPGADEPLQYPCQYSDEGQSNSATSTGSFMDIASTNTSNKSDTNMEQVPATNDTIKRLESKLLKNQAKQQSESGRLSLGASRGSSVESLPPTSEGKRMSADMSEIEARIAATTAYSKPKRGHRKTASFGNILDVPEIVISGNGQPRRRSIQDLTVTGTEPGQVSSRSSSPSVRMITTSGPTSEKPTRSHPWTPDDSTDTNGSDNSIPMAYLTLDHQLQPLAPCPNSKESMAVFEQHCKMAQEYMKVQTEIALLLQRKQELVAELDQDEKDQQNTSRLVQEHKKLLDENKSLSTYYQQCKKQLEVIRSQQQKRQGTS |
4PPC Chain:B ((4-261)) | ------------------------------IDPSELTFVQEIGSG--GLVHLGYWLNKDKVAIKTI---------IEEAEVMMKLSHPKLVQLYGVCL-APICLVFEFMEHGCLSDYLRTQRGL--FAAETLLGMCLDVCEGMAYL---EEACVIHRDLAARNCL-VGENQVIKVSDF---------------PVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNS--EVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAESG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4PPC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -154798 for 1616 contacts (-95.8/contact) +
2D Compatibility (PS) -23677 + (NN) -9127 + (LL) 20280
1D Compatibility (HY) -24000 + (ID) 4000
Total energy: -195322.0 ( -120.87 by residue)
QMean score : 0.348
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