Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------------------------------------------------------------MKLALFDLDHT-------LLNTDSDHSWGEFLVNEGLVDPVHHRQMNDKFYEDYKAGQLDPYAYNEFVFGFLTKHDNNYLTELHQLFMEKVIRPKMRPKGFDAIKKHQDLGHTIVGITATSDFITAPIFREFGITEILATNAEVADGKYTGKVAGLACYQKGKLARLEAWLDGRSV--SESWAYSDSINDRFLLEYATHAIAVNPDDRLEKLAQEHNWEIQDWSI----------------- 3N28 Chain:A ((3-325)) LDALTTLPIKKHTALLNRFPETRFVTQLAKKRASWIVFGHYLTPAQFEDMDFFTNRFNAILDMWKVGRYEVALMDGELTSEHETILKALELDYARIQDVPDLTKPGLIVLDMDSTAIQIECIDEIAKLAGVGEEVAEVTERAMQGELDFEQSLRLRVSKLKDAPEQILSQVRE-------TLPLMPELPELVATLHAFGWKVAIASGGFTYFSDYLKEQLSLDYAQSNTLEIVSGKLTGQVLGEVVSAQTKADILLTLAQQYDVEIHNTVAVGDGANDLVMMAAAGLGVAYHAKPKVEAKAQTAVRFAGLGGVVCILSAALVAQQKLSWK

General information: TITO was launched using: RESULT: Template: 3N28.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 : 740 27037 36.54 129.36 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 36.54 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.408

(partial model without unconserved sides chains): PDB file : Tito_3N28.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N28-query.scw PDB file : Tito_Scwrl_3N28.pdb: