Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDTSKFNQFVRDIYQTNNFIPLHEPRFLGNEKKYVLDTIDSTFVSSVGAYVNDFESKIQHFTGCAKAIATVNGTAALHIALLLAGVKRDDIVITQALTFVATCNALSYIGAEPLFIDVSLKTMGLCPKALDTYLQENAFLDDQGVCKHTATNKRISAIVPMHTFGHPVEIDELQEVVTRWNIALVEDAAESLGSYYKGKHTGIFGLVSALSFNGNKVITTGGGGMVLCQDEELGVRAKHITTTAKIPHPYEFYHDENGFNYRLPNLNAALGCAQMESLEGFLSKKRDLAHQYQNFFKDTDISFFVEPENCQSN---YWLNAIICKN--KTQRDLILDETNSNKVMTRPIWTLMTRLPMYENALQGDLTNSLWLEERVVNIPSSVPLE 3DR4 Chain:A ((28-374)) --------------------SVAAPRLDGNERDYVLECMDTTWISSVGRFIVEFEKAFADYCGVKHAIACNNGTTALHLALVAMGIGPGDEVIVPSLTYIASANSVTYCGATPVLVDNDPRTFNLDAAKLEALI-----------------TPRTKAIMPVHLYGQICDMDPILEVARRHNLLVIEDAAEAVGATYRGKKSGSLGDCATFSFFGNAIITTGEGGMITTNDDDLAAKMRLLRGQGMDPN-RRYWFPIVGFNYRMTNIQAAIGLAQLERVDEHLAARERVVGWYEQKLARLG-NRVTKPHVALTGRHVFWMYTVRLGEGLSTTRDQVIKDLDALGIESRPVFHPMHIMPPYAHLATDDLKIAEACGVDGLNLPTHAGL-

General information: TITO was launched using: RESULT: Template: 3DR4.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 : 2027 -200123 -98.73 -585.15 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -98.73 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.437

(partial model without unconserved sides chains): PDB file : Tito_3DR4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DR4-query.scw PDB file : Tito_Scwrl_3DR4.pdb: