Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGRLENKTAVITGAATGIGQATAEVFANEGARVIIGDINKDQMEETVDAIRKNGGQAESFHLDVSDENSVKAFADQIKDACGTIDILFNNAGVDQEGGKVHEYPVDLFDRIIAVDLRGTFLCSKYLIPLMLEN--GGSIINTSSMSGRAADLDRSGYNAAKGGITNLTKAMAIDYARNGIRVNSISPGTIETPLIDKLAGTKEQEMGEQFREANKWITPLGRLGQPKEMATVALFLASDDSSYVTGEDITADGGIMAYTWPGKMLIEEKWKEETK 4G81 Chain:D ((5-253)) -FDLTGKTALVTGSARGLGFAYAEGLAAAGARVILNDIRATLLAESVDTLTRKGYDAHGVAFDVTDELAIEAAFSKLDAEGIHVDILINNAGIQYR-KPMVELELENWQKVIDTNLTSAFLVSRSAAKRMIARNSGGKIINIGSLTSQAARPTVAPYTAAKGGIKMLTCSMAAEWAQFNIQTNAIGPGYILTDMNTALIED------KQFDSWVKSSTPSQRWGRPEELIGTAIFLSSKASDYINGQIIYVDGGWLA------------------

General information: TITO was launched using: RESULT: Template: 4G81.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1339 -58595 -43.76 -237.23 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain D : 0.79 3D Compatibility (PKB) : -43.76 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.579

(partial model without unconserved sides chains): PDB file : Tito_4G81.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4G81-query.scw PDB file : Tito_Scwrl_4G81.pdb: