Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------PEGTVALQARYPANNKKAGKVN----AAANNGTAAG--GNVNGTADFGKCKPTMSFKTGRPGRKATEGTFLPDDELVAKGQQDALNPNIITNRICDQLTNVCSANAAAKTQCAAAKAMVSSL-GTKDSSTADAFNKALGF------------------------------------------------------------------------------------------------------ 2XQH Chain:A ((23-280)) SDAKASGEFSVAVGNGARATEKASTAVGSWAAADGKQSTALGVGTYAYANASTALGSVAFVDNTATYG----TAAGNRAKVDKDATEGTALGAKATVTNKNSVALGANSVTTRDNEVYIGYKTGTESDKTYGTRVLGGLSDGTRNSDAATVGQLNRKVGGVYDDVKARITVESEKQKKYTDQKTSEVNEKVEARTTVGVDSDGKLTRAEGATKTIAVNDGLVALSGRTDRIDYAVGAIDGRVTRNTQSIEKNSKAIAANTRT

General information: TITO was launched using: RESULT: Template: 2XQH.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 : 888 70357 79.23 545.40 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 79.23 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.247

(partial model without unconserved sides chains): PDB file : Tito_2XQH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XQH-query.scw PDB file : Tito_Scwrl_2XQH.pdb: