Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAVMKIEYYSQVLDMEWGVNVLYPDANRVEEPECEDIPVLYLLHGMSGNHNSWLKRTNVERLLRGTNLIVVMPNTSNGWYTDTQYGFDYYTALAEELPQVLKRFFPNMTSKREKTFIAGLSMGGYGCFKLALT-TNRFSHAASFSGALSFQNFSPESQNLGSPAYWRGVFGEIRD------WTTSPYSLESLAKKSDKKTKLWAWCGEQDFLYEANNLAVKNLKKLGFDVTYSHSAGTHEWYYWEKQLEVFLTTLPIDFKLEERLT 4RGY Chain:A ((1-262)) MALFQCDFFSDVLGLSTSMTVILPQE-------E--HPTLFLLHGLSDDHTIWLRRTSIERYVAEMGLAVVMPAVHRSFYTDMAHGLQYWTFISEELPALARSFFP-LATAREDTFVAGLSMGGYGALKLGMRHPERFAAAASLSGALDIT---------VWVAEQRNIFGDLAALPGSDHDLFALAERMAQS--DGPVPKLYQCCGTEDFLYEDNVRFRDHVRGLGLDFMYEESPGEHEWGYWDAQIQRVLAWLPL---------

General information: TITO was launched using: RESULT: Template: 4RGY.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 : 1285 -138823 -108.03 -606.21 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -108.03 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_4RGY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4RGY-query.scw PDB file : Tito_Scwrl_4RGY.pdb: