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

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 : 217 -44896 -206.89 -488.00 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain K : 0.85 3D Compatibility (PKB) : -206.89 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.85 QMean score : 0.171

(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: