Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGQIPLEHGLIVATILFALGFYGVMVRRNLLFMLMSLEIMMNAAALAFVLAGSVWAQPDGQVMFILILTLAAAEACIGLAIVLQFYHRFHHLDVDAASEMRG 4HE8 Chain:K ((2-95)) -------SYLLTSALLFALGVYGVLTRRTAILVFLSIELMLNAANLSLVGFARA-YGLDGQVAALMVIAVAAAEVAVGLGLIVAIFRHRESTAVDDLSELRG

General information: TITO was launched using: RESULT: Template: 4HE8.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain K - contact count / total energy / energy per contact / energy per residue : 223 -45788 -205.33 -487.10 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain K : 0.83 3D Compatibility (PKB) : -205.33 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.155

(partial model without unconserved sides chains): PDB file : Tito_4HE8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HE8-query.scw PDB file : Tito_Scwrl_4HE8.pdb: