Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKPLLLVFHPDL----S--QSKVNRALVATLKDQ-DKIDIVDIQKLYNGSLDIMNDGAIEAQRLISASHIILQFPIYWYSVPPIFKAWMDAVLTRMFYLFYEQ-------------EGQHIEGKPLYLHITVGNLSSAYQKLG--QNGFTLDELMAPLKATARRCGLIWHPPHVIFNANQLNENDITEQTSLSLKQFEQWGIFNNNSFILVLSQKKRTSEKSEVRTML 3RPE Chain:B ((25-198)) MSNVLIINAMKEFAHSKGALNLTLTNVAADFLRESGHQVKITTVDQ--------GYDIESEIENYLWADTIIYQMPAWWMGEPWILKKYIDEVFTDGHGRLYQSDGRTRSDATKGYGSGGLIQGKTYMLSVTWNAPREAFTDPEQFFHGVGVDGVYLPFHKANQFLGMKPLPTFMCNDVIKQ-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 3RPE.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 596 -25055 -42.04 -164.83 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : -42.04 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_3RPE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RPE-query.scw PDB file : Tito_Scwrl_3RPE.pdb: