Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSILSWDDFEDDSQKPAAPEHKSAPVNPEKTPDSQNVSAAQPSSQSMAAPQSTGTHSVRSTNPTDSMARASEALEHLDVAPGLEELEMGAQRVQVDDKAMINC-RADLNQLVPFKYEWAWQKYLDGCANHWMPQEVNMNHDIALWKSENGLTEDERTIVMRSLGFFSTADSLVANNLVLAIYRHITNPECRQYILRQAFEEAIHTHAYQYCIESLGMDEGEVFNMYREIPSVARKAAWGLKYTQSLSDPTFHTGTPENDQRLLRNLIAFYCVLEGIFFYCGFTQILSMGRRNKMNGVAEQFQYILRDESMHLNFGIDMINQIKIENPHLWTAEFQQEVIQMILEGTMLEIEYARDTMPRGVLGMNASMMEEYLKFICNRRLSQLGLPEQFAGVTNPFAWMSEMMDLRKEKNFFETRVTDYQTGGALSW 4D8F Chain:B ((26-344)) -------------------------------------------------------------------------------------LDGKQKRVNLNSKRLVNCNQVDVNQLVPIKYKWAWEHYLNGCANNWLPTEIPMGKDIELWKSDR-LSEDERRVILLNLGFFSTAESLVGNNIVLAIFKHVTNPEARQYLLRQAFEEAVHTHTFLYICESLGLDEKEIFNAYNERAAIKAKDDFQMEITGKVLDPNFRTDSVEGLQEFVKNLVGYYIIMEGIFFYSGFVMILSFHRQNKMIGIGEQYQYILRDETIHLNFGIDLINGIKEENPEIWTPELQQEIVELIKRAVDLEIEYAQDCLPRGILGLRASMFIDYVQHIADRRLERIGLKPIYH-TKNPFPWMSETIDL----------------------

General information: TITO was launched using: RESULT: Template: 4D8F.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1489 -63833 -42.87 -200.73 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -42.87 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.520

(partial model without unconserved sides chains): PDB file : Tito_4D8F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4D8F-query.scw PDB file : Tito_Scwrl_4D8F.pdb: