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

General information: TITO was launched using: RESULT: Template: 4YQA.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 : 980 -158963 -162.21 -691.14 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.88 3D Compatibility (PKB) : -162.21 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.563

(partial model without unconserved sides chains): PDB file : Tito_4YQA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YQA-query.scw PDB file : Tito_Scwrl_4YQA.pdb: