Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDTSKFNQFVRDIYQTNNFIPLHEPRFLGNEKKYVLDTIDSTFVSSVGAYVNDFESKIQHFTGCAKAIATVNGTAALHIALLLAGVKRDDIVITQALTFVATCNALSYIGAEPLFIDVSLKTMGLCPKALDTYLQENAFLDDQGVCKHTATNKRISAIVPMHTFGHPVEIDELQEVVTRWNIALVEDAAESLGSYYKGKHTGIFGLVSALSFNGNKVITTGGGGMVLCQDEELGVRAKHITTTAKIPHPYEFYHDENGFNYRLPNLNAALGCAQMESLEGFLSKKRDLAHQYQNFFKDTDIS--FFVEPENCQSNYWLNAIICKNK--TQRDLILDETNSNKVMTRPIWTLMTRLPMYENALQGDLTNSLWLEERVVNIPSSVPLE 3DR4 Chain:C ((24-374)) ----------------LPRISVAAPRLDGNERDYVLECMDTTWISSVGRFIVEFEKAFADYCGVKHAIACNNGTTALHLALVAMGIGPGDEVIVPSLTYIASANSVTYCGATPVLVDNDPRTFNLDAAKLEALITP-----------------RTKAIMPVHLYGQICDMDPILEVARRHNLLVIEDAAEAVGATYRGKKSGSLGDCATFSFFGNAIITTGEGGMITTNDDDLAAKMRLLRGQGMDPN-RRYWFPIVGFNYRMTNIQAAIGLAQLERVDEHLAARERVVGWYEQKLARLGNRVTKPHVALTGRHVFWMYTVRLGEGLSTTRDQVIKDLDALGIESRPVFHPMHIMPPYAHLATDDLKIAEACGVDGLNLPTHAGL-

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 C - contact count / total energy / energy per contact / energy per residue : 2060 -219940 -106.77 -633.83 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain C : 0.76 3D Compatibility (PKB) : -106.77 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.423

(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: