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 3RI3 Chain:B ((31-220)) ----------VTGATSGIGLEIARRLGKEGLRVFVCARGEEGLRTTLKELREAGVEADGRTCDV--RSVPEIEALVAAVVERYGPVDVLVNNAGRLGGGATAELADELWLDV---VETNLTGVFRVTKQVLKAGGMLERGTGRIVNIASTGGKQGVVHAAPYSASKHGVVGFTKALGLELARTGITVNAVCPGFVET------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3RI3.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 : 851 -33082 -38.87 -192.34 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.70 3D Compatibility (PKB) : -38.87 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.410

(partial model without unconserved sides chains): PDB file : Tito_3RI3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RI3-query.scw PDB file : Tito_Scwrl_3RI3.pdb: