Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------MS-MTVEQMTKVFRLVMDDVELNRL-LY---YKTDPLSP-SHPDVQSLENYYDS----TNDSPAIINTIFKRAPKTDDLSDSPLCRMCIYLGNALPKPTNQSFMLLNQ--ELMIDVYTHINTFEISEYRSLKIIDRVSKLFFNKNIAGFGVTVDYKRLLISNPPDGYLGYKMIFTFGASK--------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4OO3 Chain:A ((27-465)) EGFTGAPGEVKLITLDPGHFHAALVQKVSYPQVSKDVYVYAPTGFDVDEHLKRIQGFNTRAENPTAWNEIVYTGDDYLEKMLAEKKGNVMIQAGNNGKKTEYIKKTLEAGINVLSDKPMAINSQSFKLLEECFAIAKQKNIMLYDIMTERNEITTMLQRELSTIPAVYGEQLKGSPEEPAIVKESVHHLFKLVD-------------NKPLTRP--VWYLDVNQQGEGIVDVTTHLVDLVQWEAFPDQIID------YRKDIELIDANRWTTSI-------SPEEFKQVTGTDAYPDFLKKDVENDTLKVYCNGDIVYKIKGVTAKVSVIWNYTFPKGGGDTHFSVMKGSKADLVIRQGKEQNYQPELFVEAVKGVDLAAYEKDLTASMEKVSAEYPGVALNKVGDGVWQVEIPAKYRVGHEAHFGQVTEHFLDYLKEGKLPDWEVPNMLAKYYTTTSALDMAKAKT

General information: TITO was launched using: RESULT: Template: 4OO3.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 : 621 -4368 -7.03 -31.20 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -7.03 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.086

(partial model without unconserved sides chains): PDB file : Tito_4OO3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OO3-query.scw PDB file : Tito_Scwrl_4OO3.pdb: