Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKHIAGKRIWITGASGGLGERIAYLCAAEGAHVLLSARREDRLIEIKRKITE---EWSGQ-CEIFPLDVGRLED-IARVRDQIGSIDVLINNAGF---GIFETVLDSTLDDMKAMFDVNVFGLIACTKAVLPQ--MLEQKKGHIINIASQAGKIATPKSSLYSATKHAVLGYSNALRMELSGTGIYVTTVNPGPIQTDFFSIADKGGDYAKNVGRWMLDPDDVAAQITAAIFTKKREINLPRLMNAGTKLYQLFPALVEKLAGRALMKK 1XR3 Chain:A ((11-192)) ----------VTGATSGIGLEIARRLGKEGLRVFVCARGEEGLRTTLKELREAGVEADGRTCDV--RSVPEIEALVAAVVERYGPVDVLVNNAGRPGGGATAELADELWLDV---VETNLTGVFRVTKQVLKAGGMLERGTGRIVNIASTGGKQGVVHAAPYSASKHGVVGFTKALGLELARTGITVNAVCPGFVET------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1XR3.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 : 853 -30497 -35.75 -177.31 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -35.75 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.397

(partial model without unconserved sides chains): PDB file : Tito_1XR3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XR3-query.scw PDB file : Tito_Scwrl_1XR3.pdb: