Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAGNSIGQLFRVTTCGESHGVGLMAIVDGVPPGLALTEEDLQKDLDRRKPGTSKFATQRKEPDQVEIISGVFEGKTTGTPIGLLIRNTDQKS------------KDYGNIAQTF-----RPGHADYTYTQKYGFRDYRGG-GRSSARETAMRVAAGAIAKKYLAEKFGILIRGHVTQIGNEV------AEKLDWNEVPNNPFFCGDVDAVPRFEALVKSLREQGTSCGAKLEILAEKVPVGWGEPVF--DRLDADIAHAMMSINAVKGVEIGDGFAVAGQFGHETRDELT--SHGFL--ANHAGGILGGISSGQTIRVAIALKPTASITTPGKTINLNREDTDVLTKGRHDPCVGVRATPIAEAMLAIVLMDHFLRHRAQNADVVPPFVPIEP 2O12 Chain:A ((1-362)) --------MLRWITAGESHGRALVAVVEGMVAGVHVTSADIADQLARRRLGYGR------ERDAVTVLSGIRHGSTLGGPIAIEIGNTEWPKWETVMAADPVDPAELADVARNAPLTRPRPGHADYAGMLKYGFDDARPVLERASARETAARVAAGTVARAFLRQALGVEVLSHVISIGASAPYEGPPPRAEDLPAIDASPVRAYDKAAEADMIAQIEAAKKDGDTLGGVVEAVALGLPVGLGSFTSGDHRLDSQLAAAVMGIQAIKGVEIGDGFQTARRRGSRAHDEMYPGPDGVVRSTNRAGGLEGGMTNGQPLRVRAAMKPISTVPRALATVDLATGDEAVAIHQRSDVCAVPAAGVVVETMVALVL-----------------------

General information: TITO was launched using: RESULT: Template: 2O12.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 : 1469 -20696 -14.09 -63.48 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -14.09 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.392

(partial model without unconserved sides chains): PDB file : Tito_2O12.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2O12-query.scw PDB file : Tito_Scwrl_2O12.pdb: