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 |
2WTC Chain:A ((9-304)) | ------------------VYPKAL-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: 2WTC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -157475 for 1850 contacts (-85.1/contact) +
2D Compatibility (PS) -27874 + (NN) -14358 + (LL) 28228
1D Compatibility (HY) -26000 + (ID) 4750
Total energy: -202229.0 ( -109.31 by residue)
QMean score : 0.410
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