Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKYALGPVIGEGQFGSVRMATVKATGQTVAVKLLHVPRLTEGIPHPVARELLIASRVASPFLVKTIEIAPYGSHMAVVMERCMEDLACVLRKCSPAHPLPLLLTQSYMRMLLTALHALHSSGILHRDVKPSNCFVAVDGCLKLGDFGLSRPLCSDMSHEVVSRWYRAPELLFGQRRYGGEVDLWAAGCVFAELLRGHGRPFFTGDGDISQIAKIFDVFGTPTGGTCSFYRQLPDWEKVSFEEKKGTGLRVLLPFVPPEALDLLTKMLALDPASRCSAAEALSHPFFALSDILLRV 1GIJ Chain:A ((1-286)) MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR-----------AIREISLLKELNHPNIVKLLDVIHTENKLYLVFEHVHQDLKTFM-DASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLA-----------VTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVT--RRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDY-KPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFF---------

General information: TITO was launched using: RESULT: Template: 1GIJ.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 : 1263 -176654 -139.87 -676.83 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -139.87 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_1GIJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1GIJ-query.scw PDB file : Tito_Scwrl_1GIJ.pdb: