Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTESASGT---------------PTQPSLFV-----LVKQILILAGFW-WIGYLLHQKLGVPVSAGILGMFLLLLCLFF-------------KIIKMDQVA----MGATVVLGELLLFFVPVVV---------AVVQYKTL---------------FMTEGWQI-----VLSIAVGTILVMLSTSLTIHYYNRLKAYLQARKRLQHKHI- 1QRE Chain:A ((38-247)) -TVDEFSNIRENPVTPWNPEPSAPVIDPTAYIDPQASVIGEVTIGANVMVSPMASIRSDEGMPIFVGDRSNVQDGVVLHALETINEEGEPIEDNIVEVDGKEYAVYIGNNVSLAHQSQVHGPAAVGDDTFIGMQAFVFKSKVGNNCVLEPRSAAIGVTIPDGRYIPAGMVVTSQAEADKLPEVTDDYAYSHTNEAVVYVNVHLAEGYKETS

General information: TITO was launched using: RESULT: Template: 1QRE.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 : 819 -46174 -56.38 -325.17 target 2D structure prediction score : 0.30 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -56.38 2D Compatibility (Sec. Struct. Predict.) : 0.30 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.206

(partial model without unconserved sides chains): PDB file : Tito_1QRE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QRE-query.scw PDB file : Tito_Scwrl_1QRE.pdb: