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

General information: TITO was launched using: RESULT: Template: 2GRA.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 : 1163 -143227 -123.15 -546.67 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -123.15 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.351

(partial model without unconserved sides chains): PDB file : Tito_2GRA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GRA-query.scw PDB file : Tito_Scwrl_2GRA.pdb: