Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKLKDLIGKASIHKNKTIAVAHAEDEEVIRAVKLAAEHLSARFLLTGDSKKLNELTSSMQGHQVEIVHANTPEESAKLAVRAVH----HK-----TADVLMKGNVPTSVLLKAVLNRQEGL----------------------RSASVLSHVAVFDIPDF----DRLMFVTDSAMNIAPSLEELRQILQNAVHVAHAVGNNMPKAAALAAVETVNPK---MEATVNAAALAQMYKRGQIKGCIVDGPLALDNAVSQIAAAQKKISGDVAGNADILLVPTIEAGNILYKSLIYFAKASVAAVIT-GAKAPIALTSRADSAENKLYSIALAICASEEYTH 2AF3 Chain:C ((16-323)) --------------NKTIALPETEDIRTLQAAAKILERGIADIVLVGNEADIKALAGDLDLSKAKIVDPKTYEKKDEY-INAFYELRKHKGITLENAAEIMSDYVYFAVMM-AKLGEVDGVVSGAAHSSSDTLRPAVQIVKTAKGAALASAFFIISVPDCEYGSDGTFLFADSGMVEMPSVEDVANIAVISAKTFELLVQDVPKVAMLSYSTKGSAKSKLTEATIASTKLAQELA----PDIAIDGELQVDAAIVPKVAASKAPGSPVAGKANVFIFPDLNCGNIAYKIAQRLAKAEAYGPITQGLAKPINDLSRGCSDEDIVGAVAI----------

General information: TITO was launched using: RESULT: Template: 2AF3.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 : 1375 -51675 -37.58 -192.10 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain C : 0.74 3D Compatibility (PKB) : -37.58 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.369

(partial model without unconserved sides chains): PDB file : Tito_2AF3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AF3-query.scw PDB file : Tito_Scwrl_2AF3.pdb: