Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPNPTDFQSSALATLRIEQQAIDVLATQIDDRFNRACEILLQCKGRVVITGMGKSGHIGRKMAATFASTGTPSFFMHPGEAGHGDLGMLVRGDVLIAISNSGKSDEIMMLMPLIKHLGVPLITISRDDKGPMPQNADIALTLGESDEACPLGLAPTSSTTATLVLGDALAVALLEARGFTADDFARSHPAGALGKRLLLHVKHLMHTGEELPKVSPETPMNQVLYEISNKRLGVTTIVDEQDHLLGIFTDGDLRRLIDKQQGFDV-NLPVSEVMTKKPSTISQEARAVEALQQLNQKKISQFVVVDDQNKVIGVISMHDLIQAGVN 3K2V Chain:A ((20-149)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GALGRKLLLRVNDIMHTGDEIPHVGLQATLRDALLEITRKNLGMTAICDDDMNIIGIFTDGDLRRVFD--TGVDMRDASIADVMTRGGIRIRPGTLAVDAL-NLMQSRHITCVLVADGDHLLGVVHMHDLLRA---

General information: TITO was launched using: RESULT: Template: 3K2V.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 : 583 -75648 -129.76 -586.41 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -129.76 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.593

(partial model without unconserved sides chains): PDB file : Tito_3K2V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K2V-query.scw PDB file : Tito_Scwrl_3K2V.pdb: