Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNILLVCAAGMSTS-LLVSKMEKSAQEQGKDYTIWAVSGDSVQNHI-----DKADVLLLGPQVRY-MLPQLKKLGESKGVPVDVINTVHYGTCNGAEVLKSAEQLGHVS 2KYR Chain:A ((7-105)) --ALCACPMGLAHTFMAAQALEEAAVEAGYEVKIETQGADGIQNRLTAQDIAEATIIIHSVAVTPEDNERF------ESRDVYEITLQD-AIKNAAGIIKEIEEMIAS-

General information: TITO was launched using: RESULT: Template: 2KYR.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 : 462 -15826 -34.25 -172.02 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -34.25 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.585

(partial model without unconserved sides chains): PDB file : Tito_2KYR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KYR-query.scw PDB file : Tito_Scwrl_2KYR.pdb: