Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKYALGPVIGEGQFGSVRMATVKATGQTVAVKLLHVPRLTEGIPHPVARELLIASRVASPFLVKTIEIAPYGSHMAVVMERCMEDLACVLRKCSPAHPLPLLLTQSYMRMLLTALHALHSSGILHRDVKPSNCFVAVDGCLKLGDFGLSRPLCSDMSHEVVSRWYRAPELLFGQRRYGGEVDLWAAGCVFAELLRGHGRPFFTGDGDISQIAKIFDVFGTPTGGTCSFYRQLPDWEKVSFEEKKGTGLRVLLPFVPPEALDLLTKMLALDPASRCSAAEALSHPFFALSDILLRV 1KE5 Chain:A ((1-286)) MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR-------VPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFM-DASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAF-------VVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVT--RRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDY-KPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFF---------

General information: TITO was launched using: RESULT: Template: 1KE5.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 : 1306 -186636 -142.91 -693.81 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -142.91 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.522

(partial model without unconserved sides chains): PDB file : Tito_1KE5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KE5-query.scw PDB file : Tito_Scwrl_1KE5.pdb: