Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKIVVVGTNHAGTAAIKTMLSNYGEANEIVTFDQNSNISFLGCGMALWIGEQIDGPEGLFYSDKEQLES-MGAKVYMNSPVLNIDYDKKEVTA--LVDGKEHVESYEKLILATGSQPIIPPIKGVEIQEGSREFKATLENLQFVKLYQNSEEVIEKLAKPGINRVAVVGAGYIGVELAEAFQRIGKEVTLVDVADTCMGGYYDRDFTDMMSKNLEDHGIRLAFGQAVQAVEGD--------------------GKVERLVTDKETFDVDMVILAVGFRPNTELGA-GKLDTFRNGAWVVDKKQETSVKDVYAIGDCATIWDNSRDDINYIALASNAVRTGIVAAHNACGTELEGAGVQGSNGISIYGLNMVSTGLTLEKAKQAGYNAVETGFNDLQKPEFIKHNNHEVAIKIVYDKDSRVILGCQMVSHEDVSMGIHMFSLAIQEKVTIEKLALTDIFFLPHFNKPYNYITMAALGAKD |
4OCG Chain:A ((25-466)) | -------------------------ETAEIIMFERGEYVSFANCGLPYHISGEIAQRSALVLQTPESFKARFNVEVRVKHEVVAIDRAAKLVTVRRLLDGSEYQESYDTLLLSPGAAPIVPPIPGVD-----NPLTHSLRNI------PDMDRILQTIQMNNVEHATVVGGGAIGLEMMESLHHLGIKTTLLELADQVMTP-VDREMAGFAHQAIRDQGVDLRLGTALSEVSYQVQTHVASDAAGEDTAHQHIKGHLSLTLSNGELLETDLLIMAIGVRPETQLARDAGLAIGELGGIKVNAMMQTSDPAIYAVGDAVEEQDFVTGQACLVPLAGPANRQGRMAADNMFGREERYQGTQGTAICKVFDLAVGATGKNEKQLKQAGI-AFEKVYVHTASHASYYPGAEVVSFKLLFDPVKGTIFGAQAVGKDGIDKRIDVMAVAQRAGMTVEQLQHLELSYAPPYGSAKDVINQAAFVASN |
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General information:
TITO was launched using:
| RESULT:
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Template: 4OCG.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -223560 for 3447 contacts (-64.9/contact) +
2D Compatibility (PS) -45832 + (NN) -17895 + (LL) 2712
1D Compatibility (HY) -29600 + (ID) 5950
Total energy: -320125.0 ( -92.87 by residue)
QMean score : 0.446
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