Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYKILLADDERIILDGMAGIIEWESLGASLIGKAQNGHEAYEKIVHKQPHIVITDVKMPGMDGLELIKKVSAVSPSVQFIVLSGFGEFEYAKEAMKYGVKHYLLKPCNEQQIISSLEEIIAELKRQDVHKKKTAHLKHELDHIRSFAADQYLEGLIAGVAQLSPPPSLAGKKIRLLILKGEQSIDAAAREALGSALTAVCSSGEWTVLAVEENAAEKVAEVFADRKMAISQAGELRHAGQLFRDTAEASGDLHGSAVISKMIRLIADELGNPNLSLKWAAKDMLFMNPDYLGKLFKQETGEKFSQYVTRVRLEHAMKQMKIRRDVSVSEIAEEIGFGDNPKYFSLVFKKYTGLTPSEFRRKQGGASAG 1U0S Chain:Y ((4-118)) --RVLIVDDAAFMRMMLKDIIT--KAGYEVAGEATNGREAVEKYKELKPDIVTMDITMPEMNGIDAIKEIMKIDPNAKIIVCSAMGQQAMVIEAIKAGAKDFIVKPFQPSRVVEALNKV---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1U0S.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain Y - contact count / total energy / energy per contact / energy per residue : 572 -90408 -158.06 -786.16 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain Y : 0.61 3D Compatibility (PKB) : -158.06 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.630

(partial model without unconserved sides chains): PDB file : Tito_1U0S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1U0S-query.scw PDB file : Tito_Scwrl_1U0S.pdb: