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:B ((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 B - contact count / total energy / energy per contact / energy per residue : 1013 -11913 -11.76 -53.18 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.76 3D Compatibility (PKB) : -11.76 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.397

(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: