Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKRKGCFAAAGFMMIFVFVIASFLLVLLFFNRDLIKKLPIDTKTIVLERLTDYKPLVEEELESQGLSNYTSLILGMMYQESK-----GKG-----------NDPMQSSESLGLKRNEITDPQLSVKQGIKQFTLMYKTGKEK-G-----VDLDTIIQSYNMGAGYIDFVAEHGGTHTEELAKQYSEQQVKKNPDLYTCGGNAKNFRYPYCYGDYTYAEKVKEKTKTVEESLQVATLETMESKAHE 3GXR Chain:A ((36-158)) --------------------------------------------AQTDAGRMEKYKSFINNVAKKHVVDP--AVIAAIISRESRAGNVIFNTTPPGWGDNYNGFGLMQVDKRYHE-PRGAWNSEEHIDQATGILVNFIQLIQKKFPSWSTEQQLKGAIAAYNTGDGRVES-----------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GXR.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 : 379 14772 38.98 146.26 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 38.98 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.473

(partial model without unconserved sides chains): PDB file : Tito_3GXR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GXR-query.scw PDB file : Tito_Scwrl_3GXR.pdb: