Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIQGKHFVITGGGSGLGAATAEYLVKQGASVTLVDMNVEAGEQQAKHLGPKAGFVKLDVTDEATAEQFFKDVLVKHGHLHGLVNCAGIGPSAKVVGREGVHDLGLFAKTLNINVTGTFNMLRFAADAMSKNTVEEGEEDRGIIVNTASVAAFDGQIGQAAYSASKGAIVAMTLPIARELARHAIRIMTIAPGIMETPMLKGMPQNVQDALGQMVPYPSRLGKPEEFARLVAHIAENSYLNGEVIRLDGAIRMAAK 4XGN Chain:A ((9-260)) MEIRDNVFLITGGASGLGAGTARLLTEAGGKVVLADLNQDAGEALARELG--GVFVRCDVAREEDAQAA-VAAATKLGTLRGLVNCAGIAPAAKTVGKDGPHPLELFAKTITVNLIGTFNMIRVAAAAMAANEPAPTGE-RGVIVSTASVAAFDGQIGQAAYAASKAGVAGMTLPIARDLSRNAIRVMTIAPGIFETPMLLGMPQEVQDALGAMVPFPPRLGKPAEYAMLVRQIFENPMLNGEVIRLDGAIRMQPK

General information: TITO was launched using: RESULT: Template: 4XGN.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 : 1455 -152107 -104.54 -603.60 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.89 3D Compatibility (PKB) : -104.54 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.613

(partial model without unconserved sides chains): PDB file : Tito_4XGN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XGN-query.scw PDB file : Tito_Scwrl_4XGN.pdb: