Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFFAVITLFPEMFEAITAYGISGRAAKRDIVQVTCINPRDFAEGSYRRVDERPFGGGPGMVMMAEPLAKAINHAKQLASQAGCVHVPVVYMSPQGKTLNEQAVQQFVDYDGLIVLCGRYEGVDERLIQHYVDQEWSIGDYVLSGGELPAMVLLDSIIRRLPNVMSDEQSAIQDSFVDGLLDCPQYTKPDQFEGLDVPEILKSGHHANIEKWRFLQRYQRTLERRPELIEQVTLTKQQKKWLSDEQG 4MCB Chain:A ((1-219)) MWIGVISLFPEMFKAITEFGVTGRAVKHNLLKVECWNPRDFTFDKHKTVDDRPYGGGPGMLMMVQPLRDAIHTAKAAAGEG----AKVIYLSPQGRKLDQGGVTELAQNQKLILVCGRYEGIDERLIQTEIDEEWSIGDYVLTGGELPAMTLIDAVARFIPGVLG-------------LLDCPHYTRPEVLEGLTVPPVLMS-HHEEIRKWRLKQSLQRTWLR-----------------------

General information: TITO was launched using: RESULT: Template: 4MCB.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 : 891 -153003 -171.72 -746.36 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.85 3D Compatibility (PKB) : -171.72 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.537

(partial model without unconserved sides chains): PDB file : Tito_4MCB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4MCB-query.scw PDB file : Tito_Scwrl_4MCB.pdb: