Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFFAVITLFPEMFEAITAYGISGRAAKRDIVQVTCINPRDFAEGSYRRVDERPFGGGPGMVMMAEPLAKAINHAKQLASQAGCVHVPVVYMSPQGKTLNEQAVQQFVDYDGLIVLCGRYEGVDERLIQHYVDQEWSIGDYVLSGGELPAMVLLDSIIRRLPNVMSDEQSAIQDSFVDGLLDCPQYTKPDQFEGLDVPEILKSGHHANIEKWRFLQRYQRTLERRPELIEQVTLTKQQKKWLSDEQG 4YQB Chain:A ((9-249)) MWIGVISLFPEMFKAITEFGVTGRAVKHNLLKVECWNPRDFTFDKHKTVDDRPYGGGPGMLMMVQPLRDAIHTAKAAAGEG----AKVIYLSPQGRKLDQGGVTELAQNQKLILVCGRYEGIDERLIQTEIDEEWSIGDYVLTGGELPAMTLIDAVARFIPGVLG--------SFADGLLDCPHYTRPEVLEGLTVPPVLMSGHHEEIRKWRLKQSLQRTWLRRPELLEGLALTDEQRKLLKEAQ-

General information: TITO was launched using: RESULT: Template: 4YQB.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 : 998 -158004 -158.32 -678.13 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -158.32 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.519

(partial model without unconserved sides chains): PDB file : Tito_4YQB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YQB-query.scw PDB file : Tito_Scwrl_4YQB.pdb: