Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKQTIFSGIQPSGSVTLGNYIGAMKQFVELQHDYNSYFCIVDQHAITVPQDRLELRKNIRNLAALYLAVGLDPEKATLFIQSEVPAHAQAGWMMQCVAYIGELERMTQFKDKSKGNEAVVSGLLTYPPLMAADILLYGTDLVPVGEDQKQHLELTRNLAERFNKKYNDIFTIPEVKIPKVGARIMSLNDPLKKMSKSDPNQKAYITLLDEPKQLEKKIKSAVTDSEGIVKFDKENKPGVSNLLTIYSILGNTTIEELEAKYEGKGYGEFKGDLAEVVVNALKPIQDRYYELIESEELDRILDEGAERANRTANKMLKKMENAMGLGRKRR 1D2R Chain:A ((2-326)) --KTIFSGIQPSGVITIGNYIGALRQFVELQHEYNCYFCIVDQHAITVWQDPHELRQNIRRLAALYLAVGIDPTQATLFIQSEVPAHAQAAWMLQCIVYIGELERMTQFKEKSAGAAAAAAGLLTYPPLMAADILLYNTDIVPVGEDQKQHIELTRDLAERFNKRYGELFTIPEARIPKVGARIMSLVDPTKKMSKSDPNPKAYITLLDDAKTIEKKIKSAVTDSEGTIRYDKEAKPGISNLLNIYSTLSGQSIEELERQYEGKGYGVFKADLAQVVIETLRPIQERYHHWMESEELDRVLDEGAEKANRVASEMVRKMEQAMGLGR---

General information: TITO was launched using: RESULT: Template: 1D2R.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 : 1548 -186020 -120.17 -572.37 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.95 3D Compatibility (PKB) : -120.17 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.95 QMean score : 0.590

(partial model without unconserved sides chains): PDB file : Tito_1D2R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1D2R-query.scw PDB file : Tito_Scwrl_1D2R.pdb: