Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKTIVFKCGGSVIREL--SEEFYQNLKELRA-SGWKLAIVHGGGPEITNMLKRLNIKTEFSGGQRKTTKPVLEVAEMVLSGSVNKFFVAELAKHGLRAAGISGKDGGLLEADYLDPETYGEVGEIKKVDASMVNALMENGIIPVIAPLSMTSDCKTLNVNADLAASAVAGALEADKLMFVTDVDGIMKE-KQRLDVLTPKEIQMLIKQEVITGGMIPKVNSALSALSDQVSEVMIVNGKG--SFFAE--QTFQGTKIVKAKEAVS 1GS5 Chain:A ((1-258)) MMNPLIIKLGGVLLDSEEALERLFSALVNYRESHQRPLVIVHGGGCVVDELMKGLNLPVKKKNGLRVTPADQIDIITGALAGTANKTLLAWAKKHQIAAVGLFLGDGDSVKVTQL-DEELGHVGLAQPGSPKLINSLLENGYLPVVSSIGVTDEGQLMNVNADQAATALAATLGAD-LILLSDVSGILDGKGQRIAEMTAAKAEQLIEQGIITDGMIVKVNAALDAARTLGRPVDIASWRHAEQLPALFNGMPMGTRILA------

General information: TITO was launched using: RESULT: Template: 1GS5.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 : 1448 -161140 -111.28 -644.56 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -111.28 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.468

(partial model without unconserved sides chains): PDB file : Tito_1GS5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1GS5-query.scw PDB file : Tito_Scwrl_1GS5.pdb: