Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIRVIIAGFKGKMGQ------------AACQMVLTDPDLDLVAVLDPFESESEWQ-GIPVFKDKADLAGFEADVWVDFTTPAVAYENTRFALENGFAPVVGTTGFTSEEIAELKEFSRAQDLGGLIAPNFALGAVLLMQFATQAAKYFPN---VEIIELHHDKKKDAPSGTAIKTAELMAE-VRESIQQGAADEEELIAGARGADFDGMRIHSVRLPGLVAHQEVIFGNQGEGLTLRHDSYDRISFMTGVNLGIKEVVKRHELVYGLEHLL 4YWJ Chain:A ((11-251)) ---RIAVVGAAGRMGKNLIEAVQQTGGAAGLTAAVDRPDSTLVGA-DAGELAGLGRIGVPLSGDLGKVC-EEFDVLIDFTHPSVTLKNIEQCRKARRAMVIGTTGFSADEKLLLAEA--AKDIPIVFAANFSVGVNLCLKLLDTAARVLGDEVDIEIIEAHHRHKVDAPSGTALRMGEVVAQALGRDLQEVAVYGREGQTGARARETIGF--ATVRAGDVVGDHTVLFAAEGERVEITHKASSRMTFARG----------------------

General information: TITO was launched using: RESULT: Template: 4YWJ.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 : 1005 -15547 -15.47 -69.41 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -15.47 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.389

(partial model without unconserved sides chains): PDB file : Tito_4YWJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YWJ-query.scw PDB file : Tito_Scwrl_4YWJ.pdb: