Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKEAILNFLQAKGEPTWLQELRLKAFEKIEELELPVIERVKFHRWNLGDGTILENDYTANIPDFTELGNNPKLVQIGTQTVLEQVPMELIEKGVVFTDFYSALEEIPEVIERYFGKARPFEEDRLAAYHTAYFNSGAVLYIPDNVEITQPIEGLFYQDNQSKVPFNKHILLIVGKNAKVSYLERFESIGDGTERTSANISVEVIAQAGSQIKFASIDRLGENVTTFISRRGRHSSDATIDWALGVMNEGNVVADFDSDLIGDGSHANLKVVAASSGRQVQGIDTRVTNYGCNSVGHILQHGVILERGTLTFNGIGHIIKGAKGADAQQESRVLMLSDKARSDANPILLIDENDVTAGHAASIGQVDPEDLYYLMSRGLNQKTAEQLVIRGFL------GTVIAEIPVKEVRDEMIAVIDTKLEKR |
2JES Chain:A ((29-467)) | PDTTMIQKLIDEH------NPEPLLKGVRYYMCENDIEKKRRTYYDAAGQQLVDDTK------------TNNRTSHAWHKLFVDQKTQYLVGEPVTFT---SDNKTLLEYVNELADDDFDDILNETVKNMSNKGIEYWHPFVDEEGEFDYVIFP--AEEMIVVYWGRVPIIPFKNNEEMVSDLKFYKDLIDNYDSITSSTMDSFSDFQQIVYVLKNYDG---------ENPKEFTANLRYHSVIKVSGDGG-VDTLRAEIPVDSAAKELERIQDELYKSAQAVDNSPETIGGGAT-----------------------GPALEKLYALLDLKANMAERKIRAGLRLFFWFFAEYLRNTGKGDFNPDKELTMTFTRTRIQNDSEIVQSLVQGVTGGIMSKETAVARNPFVQDPEEELARIEEEMNQY |
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General information:
TITO was launched using:
| RESULT:
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Template: 2JES.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -5586 for 2426 contacts (-2.3/contact) +
2D Compatibility (PS) -37721 + (NN) 4969 + (LL) 3260
1D Compatibility (HY) -800 + (ID) 2100
Total energy: -37978.0 ( -15.65 by residue)
QMean score : 0.138
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