Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRTKKRTKEMLPIFDQKKVAFIGAGSMAEGMISGIVRANKIPKQNICVTNRSNTERLTELELQYGIKGALPNQLCIEDMDVLILAMKPKDAENALSSLKSRIQPHQLILSVLAGITTSFIEQSLLNEQP---VVRVMPNTSSMIGASATAIALGKYVSEDLKKLAEALLGCMGEVYTIQENQMDIFTGIAGSGPAYFYYLMEFIEKTGEEAGLDKQLSRSIGAQTLLGAAKMLMETGEHPEILRDNITSPNGTTAAGLQALKKSGGGEAISQAIKHAAKRSKEISEDIEKTAAPLSGVIK 2GR9 Chain:B ((5-270)) ------------------VGFIGAGQLAFALAKGFTAAGVLAAHKIMASSPDMDLATVSALRKMGV-LTPHNKETVQHSDVLFLAVKPHIIPFILDEIGADIEDRHIVVSCAAGVTISSIEKKLSAFRPAPRVIRCMTNTPVVVREGATVYATGTHAQVEDGRLMEQLLSSVGFCTEVEEDLIDAVTGLSGSGPAYAFTALDALADGGVKMGLPRRLAVRLGAQALLGAAKMLLHSEQHPGQLKDNVSSPGGATIHALHVLESGGFRSLLINAVEASCIRTREL----------------

General information: TITO was launched using: RESULT: Template: 2GR9.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 : 1153 -145701 -126.37 -556.11 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -126.37 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.329

(partial model without unconserved sides chains): PDB file : Tito_2GR9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GR9-query.scw PDB file : Tito_Scwrl_2GR9.pdb: