Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALVKTKLAAAPQPSRTPTPGSSPKEWTPPTHTHESPEHLSTDEPDVLVPAHKYVYDVKTCAWKGVDTMLRVLHPNRGLSQGTMRVCFALEELDETGFSSRMVAKMFRHNISKVVESDYFNEGEAQCICGIFAEKFNRVQVPAGFQRHIVSFLQCETVRIKL-SEVPEAYQHKRSGFFSYRTTDSADILFTMEPRLAGNFTKYTNNFGDVYDGFERRQSLEEEKKRHRVLMAVEAFSHFTLVESGGSMLVCDLQGVND----FLTDPQIHTEDGKGLGMG--NMGQDGIRKWMEAHVCNEVCRAIMLEPLSKGLRNFTRTAENESRVSYYQILRAKLRSQTPVRPEDIIPLSKPLSLMSDDERLEYAMRLSALLSE 4KUJ Chain:A ((101-264)) ---------------------------------------------------------------------------------------------------------------------------ERQLICIYLANIFNKLNVSPNKLHFLPNYLFIPSPTKDLDGKILTLEQTEQAVAATCRTPNF------VEPYLSGYFIKYIDNNGWI-----------NESEFHSTL---HAFAHWTWVHTKGALLICDIQGVNANNKFYLTDPALHHIDQNKFIYSETNLGEVGISQFFRTHQCNAICQGLHL---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KUJ.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 : 646 -25781 -39.91 -164.21 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -39.91 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.322

(partial model without unconserved sides chains): PDB file : Tito_4KUJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KUJ-query.scw PDB file : Tito_Scwrl_4KUJ.pdb: