Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNFNQLQIAL-------GTLVRKEVRRFLR-IWPQTLLPPAITMSLYFV-------IFGNLVGSRIGEMGGVSYMQFIVPGLIMMAVITNSYANVSSSFFSVKFQKNIEELIMSPVPLHIILWGYVIGGICRGVLVGAIVTAMSMFFTDLFIHNWFVTIYTVLITSVLFSLGGFINAVYAKSFDDISII--------PTFVLTPLTYLGGVFYAISALG--PFWQKLSLINPIVYMVNAFRF-GILGHSDVNVSFSL----IIVTLCCAVLYGIAYYLLARG--SGMRE--------------------- 4WMA Chain:A ((7-305)) VVPVDYHLLMMFTKAEHNAPLQAKARVALSSLLRLAKFEAHEVLNLHFVSEEASREVAKALLRELLPPAAGFKCKVIFHDVAVLTDKLFPVVEAMQKYFSAGSGTYYSDSIFFLSVAMHQIM---------PKEIPRIIQLDLDLKYKTNI--RELFEEFDNFLPGAVIGIAREMQPVYRHTFWQFRHENPKTRVGDPPPEGLPGFNSGVMLLNLEAMRQSPLYSHLLEPSWVQQLADKYHFRGHLGDQDFFTMIGMEHPELFHVLDCTWNRQLCTWWRDHGYSDVFQAYFRCEGHVKIYHGNCNTPIPE

General information: TITO was launched using: RESULT: Template: 4WMA.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 : 1186 -124627 -105.08 -506.61 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -105.08 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.146

(partial model without unconserved sides chains): PDB file : Tito_4WMA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WMA-query.scw PDB file : Tito_Scwrl_4WMA.pdb: