Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPNPTDFQSSALATLRIEQQAIDVLATQIDDRFNRACEILLQCKGRVVITGMGKSGHIGRKMAATFASTGTPSFFMHPGEAGHGDLGMLVRGDVLIAISNSGKSDEIMMLMPLIKHLGVPLITISRDDKGPMPQNADIALTLGESDEACPLGLAPTSSTTATLVLGDALAVALLEARGFTADDFARSHPAGALGKRLLLHVKHLMHTGEELPKVSPETPMNQVLYEISNKRLGVTTIVDEQDHLLGIFTDGDLRRLIDKQQGFDVNLPVSEVMTKKPSTISQEARAVEALQQLNQKKISQFVVVDDQNKVIGVISMHDLIQAGVN 5MCP Chain:C ((161-294)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LQGIITSRDIQFVEDE------TLLVSEIMTKDVITGKQGINLEEANQILKNTKKGKLPIVDEAGCLVSMLSRTDLMK----

General information: TITO was launched using: RESULT: Template: 5MCP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 205 -32878 -160.38 -456.63 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain C : 0.56 3D Compatibility (PKB) : -160.38 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.716

(partial model without unconserved sides chains): PDB file : Tito_5MCP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MCP-query.scw PDB file : Tito_Scwrl_5MCP.pdb: