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 |
2YCQ Chain:A ((3-298)) | ------------------VYPKAL-RDEYIMSKTLGSGACGEVKLAFERKTCKKVAIKIISK------------NVETEIE--ILKKLNHPCIIKIK-NFFDAEDYYIVLELMEGGELFDKVV----GNKRLKEATCKLYFYQMLLAVQYLHENGIIHRDLKPENVLLSSQEEDCLIKITDFGHSKIL-GETSLMRTLCGTPTYLAPEVLVSVGTAGYNRAVDCWSLGVILF-ICLSGYPPFSEHRTQVSLKDQITSGKYNFIPEVWAEVSEKALD-LVKKLLVVDPKARFTTEEALRHPWLQDEDMKRKFQDLLSEENESTALPQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2YCQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -167107 for 1864 contacts (-89.6/contact) +
2D Compatibility (PS) -28295 + (NN) -18879 + (LL) 28920
1D Compatibility (HY) -26400 + (ID) 4850
Total energy: -216611.0 ( -116.21 by residue)
QMean score : 0.428
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