Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTVKNSPAELSSALVNQRNDVPLIRYSGRFAPSPTGPLHFGSLITAVASYCDARAHQGRWLVRVEDTDIPRIYPGSEDHILASLEAFQFDPDAE--------IIFQKDRLDIYESVLDQLKKEGLVYACQCTRKMLGS----------NAIYAGTCRDLQ--LD--------FQHQAIRVKVQDQPICFDDRLQGLHCSNLEHDLGDFVLKRRDGIINYQLAVVADDYLQGITHVVRGADLLDNTERQIWLGQLLGYPKLSYMHLPLAMNDQGQKLSKQNLAHALDLTKA----PELLQQAIQALGQPQVD--L-ARPEVMLKQAVTQWNVDLIPHGQQLCGTYL 2O5R Chain:A ((13-324)) ------------------------MVRVRFAPSPTGFLHVGGARTALFNFLFARKEKGKFILRIEDTDLERSEREYEEKLMESLRWLGLLWDEGPDVGGDHGPYRQSERVEIYREHAERLVKEGKAYYVYAYPEEIEEMREKLLSEGKAPHYSQEMFEKFDTPERRREYEEKGLRPAVFFKMPRKDYVLNDVVKGEVVFKT-GAIGDFVIMRSNGLPTYNFACVVDDMLMEITHVIRGDDHLSNTLRQLALYEAFEKAPPVFAHVSTILGPDGKKLSKRHGATSVEAFRDMGYLPEALVNYLALLGWSHPEGKELLTLEEL----ISSFSLDRLSPNPAIF----

General information: TITO was launched using: RESULT: Template: 2O5R.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 : 1271 -22469 -17.68 -81.12 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -17.68 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.505

(partial model without unconserved sides chains): PDB file : Tito_2O5R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O5R-query.scw PDB file : Tito_Scwrl_2O5R.pdb: