Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRIAISGGGTGGHIYPALAFIKEVQRRHPNVEFLYIGTENGLEKKIVERENIPFRSIEITGFKRKL-----------S---------FENVKTVM----RF-LKGVKKSKSYLAEFKPDAVIGTGGYVCGPVVYAAAKMGIPTIVHEQNSLPGI-----TNKFLSKYV-----------NKVAICFEEAKSHFPS-----EKVVFTGNPRASEVVSIKTGRSLAEFGLSEDKKTVLIFGGSRGAA----PINRAVIDMQDVLKTRDYQVLYITGEVHYEKVMNELKSKGAADNMVTKPFLHQMPEYLKAIDVIVARAGATTIAEITALGIPSVLIPSPYVTANHQEVNARS--LGQHDAAIVLKETELSGEKLIEALDRIVLNEQTLKEMSERTKSLGVPDAAARLYSVLEELKK 3OTI Chain:A ((21-395)) MRVLFVSSPGIGHLFPLIQLAWGFR-TA-GHDVLIAVAEHA--DRAAAA-GLEVV--DVAPDYSAVKVFEQVAKDNPRFAETVATRPAIDLEEWGVQIAAVNRPLVDGTMALVDDYRPDLVVYEQGAT--VGLLAADRAGVPAVQRNQSAWRTRGMHRSIASFLTDLMDKHQVSLPEPVATIESFPPSLLLEAEPEGWFMRWVPYGGGAVLGDRLP-----------PVPARPEVAITMGTIELQAFGIGAVEPIIAAAGE---VDAD-FVLALGDLDISPL-----GTLPRNVRAVGWT-PLHTLLRTCTAVVHHGGGGTVMTAIDAGIPQLLAPDPR----DQFQHTAREAVSRRGIGLVSTSDKVD----ADLLRRLIGDESLRTAAREVREEMVALPTPAETVRRIVER--

General information: TITO was launched using: RESULT: Template: 3OTI.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 : 1846 -212521 -115.12 -657.96 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -115.12 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.468

(partial model without unconserved sides chains): PDB file : Tito_3OTI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OTI-query.scw PDB file : Tito_Scwrl_3OTI.pdb: