Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQWMELANRVLAGAEVTDEEALSILHCPDEDIL-LLMHGAFHIRKHFYGKKVKLNMIMNAKSGLCPENCGYCSQSAISKAPIESYRMVNKET-----LLEGAKRAHDLNIGTYCI-VASGRGPSNRE-VDQVVDAVQEIKETYGLKVCACLGLLKPEQAKRLKDAGVDR---YNHNLNTSQRNHSNITTSHTYDDRVNTVEIAKESGLSPCSGAIIGIKETKQDVIDIAKSLKALDADSIPVNFLHAIDGTPLEGVNELNPLYCLKVLALFRFINPSKEIRISGGREVNLRSLQPLGLYAANSIFVGDYLTTAGQEETEDHKMLSDLGFEVESVEEMKASLSAKS 3T7V Chain:A ((12-274)) -----SLGDKVIEGYQLTDNDLRTLLSLESKEGLERLYSAARKVRDHYFGNRVFLNCFIYF-STYCKNQCSFCYYNC--RNEINRYRLTMEEIKETCKTLKGA--------GFHMVDLTMGEDPYYYEDPNRFVELVQIVKEELGLPIMISPGLMDNATLLKAREKGANFLALYQETYDTEL--YRKLRVGQSFDGRVNARRFAKQQGYCVEDGILTGVGNDIESTILSLRGMSTNDPDMVRVMTFLPQEGTPLEGFRDKSNLSELKIISVLRLMFPKRLI-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3T7V.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1194 -122912 -102.94 -487.74 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -102.94 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.428

(partial model without unconserved sides chains): PDB file : Tito_3T7V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3T7V-query.scw PDB file : Tito_Scwrl_3T7V.pdb: