Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKIVVVGTNHAGTAAIKTMLSNYGEANEIVTFDQNSNISFLGCGMALWIGEQIDGPEGLFYSDKEQLES-MGAKVYMNSPVLNIDYDKKEVTA--LVDGKEHVESYEKLILATGSQPIIPPIKGVEIQEGSREFKATLENLQFVKLYQNSEEVIEKLAKPGINRVAVVGAGYIGVELAEAFQRIGKEVTLVDVADTCMGGYYDRDFTDMMSKNLEDHGIRLAFGQAVQAVE------------GD--------GKVERLVTDKETFDVDMVILAVGFRPNTELGA-GKLDTFRNGAWVVDKKQETSVKDVYAIGDCATIWDNSRDDINYIALASNAVRTGIVAAHNACGTELEGAGVQGSNGISIYGLNMVSTGLTLEKAKQAGYNAVETGFNDLQKPEFIKHNNHEVAIKIVYDKDSRVILGCQMVSHEDVSMGIHMFSLAIQEKVTIEKLALTDIFFLPHFNKPYNYITMAALGAKD |
3NTA Chain:A ((25-466)) | -------------------------ETAEIIMFERGEYVSFANCGLPYHISGEIAQRSALVLQTPESFKARFNVEVRVKHEVVAIDRAAKLVTVRRLLDGSEYQESYDTLLLSPGAAPIVPPIPGVD-----NPLTHSLRNI------PDMDRILQTIQMNNVEHATVVGGGFIGLEMMESLHHLGIKTTLLELADQVMTP-VDREMAGFAHQAIRDQGVDLRLGTALSEVSYQVQTHVASDAAGEDTAHQHIKGHLSLTLSNGELLETDLLIMAIGVRPETQLARDAGLAIGELGGIKVNAMMQTSDPAIYAVGDAVEEQDFVTGQACLVPLAGPANRQGRMAADNMFGREERYQGTQGTAICKVFDLAVGATGKNEKQLKQAGI-AFEKVYVHTASHASYYPGAEVVSFKLLFDPVKGTIFGAQAVGKDGIDKRIDVMAVAQRAGMTVEQLQHLELSYAPPYGSAKDVINQAAFVASN |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NTA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -215360 for 3354 contacts (-64.2/contact) +
2D Compatibility (PS) -45858 + (NN) -17809 + (LL) 2712
1D Compatibility (HY) -30400 + (ID) 6000
Total energy: -312715.0 ( -93.24 by residue)
QMean score : 0.450
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