Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGELDDQNKDAPDDGNAARKRACLEHVLPSMQQRFAELAHASVGESSLTVEALFQRYQRVLKVGEGTFGEVFVLYDTVAHTYITMKRMHTLLSLRRRSLGIHRCTFREVELLAALQHPNIVQVLDYHILSDGSLVMLMPVIAHDLTSLLRRWPATPQSSGHGTASTAASMRPRMPLHVVKCIFRQIIAGIAYLHKHKVVHRDLKPSNVMVDHTGVVKLIDFGWSR-FCAAAGAMTGPPCVTAFRPPEVLVGAHNHYTFSLDIWCCGCILFEMLTGGTPFAKSRNEAECLANIVDWLGSPPSSSEVYYRCAARCTFP-LAPGRPDTFAQRCNNY--GIKSAEAMFLRRMLCLEPGERATAEALLRDPWFTTAPTMCVPRAIPLPAHNMFRLVEVKRKELEH 2WIP Chain:A ((7-291)) -------------------------------------------------------ENFQKVEKIG-----VVYKARNKLTGEVVALKKIR----LDTETEGVPSTAIREISLLKELNHPNIVKLLDV-IHTENKLYLVFEFLHQDLKKFM-----------------DASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGC-KYYSTAVDIWSLGCIFAEMVTRRALFPGD-SEIDQLFRIFRTLGTP---DEVVW--PGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFF--------------------------------

General information: TITO was launched using: RESULT: Template: 2WIP.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 : 1346 -145936 -108.42 -528.75 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -108.42 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.343

(partial model without unconserved sides chains): PDB file : Tito_2WIP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WIP-query.scw PDB file : Tito_Scwrl_2WIP.pdb: