Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLKFQEAAKCVSGSTAISTYPKTLIARRYVLQQKLGSGSFGTVYLVSDKKAKRGEELKVL--KEISVGELNPNETVQANLEAQLLSKLDHPAIVKFHASFVEQDNFCIITEYCEGRDLDDKIQEYKQAGKIFPENQIIEWFIQLLLGVDYMHERRILHRDLKSKNVFLKNN----LLKIGDFGVSRLLMGSCDLATTLTGTPHYMSPEAL---KHQGYDTKSDIWSLACILYEMCCMNHAFAGSNFLSIVLK--IVEGDTPSLPERYP----KELNAIMESMLNKNPSLRPSAIEILKIPYLDE-----QLQNLMCRYSEMTLEDKNLDCQKEAAHIINAMQKRIHLQTLRALSEVQKMTPRERMRLRKLQAADEKARKLKKIVEEKYEENSKRMQELRSRNFQQLSVDVLHEKTHLKGMEEKEEQPEGRLSCSPQDEDEERWQGREEESDEPTLENLPESQPIPSMDLHELESIVEDATSDLGYHEIPEDPLVAEEYYADAFDSYCEESDEEEEEIALERPEKEIRNEGSQPAYRTNQQDSDIEALARCLENVLGCTSLDTKTITTMAEDMSPGPPIFNSVMARTKMKRMRESAMQKLGTEVFEEVYNYLKRARHQNASEAEIRECLEKVVPQASDCFEVDQLLYFEEQLLITMGKEPTLQNHL |
2WTD Chain:A ((8-304)) | -----------------SVYPKAL-RDEYIMSKTLGS----EVKLAFERKTCKKVAIKIISK---------PALNVETEIE--ILKKLNHPCIIKIK-NFFDAEDYYIVLELMEGGELFDKVVGNKR----LKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL---TSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILF-ICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALD-LVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENESTALPQVL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2WTD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157400 for 1848 contacts (-85.2/contact) +
2D Compatibility (PS) -28112 + (NN) -17035 + (LL) 28256
1D Compatibility (HY) -26000 + (ID) 4750
Total energy: -205041.0 ( -110.95 by residue)
QMean score : 0.407
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