Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLVSVGPKPEVAGTAQVPLGPTRTNVHGASPIIAASSRSAHAMSPGTWSSSLKPKVECNVTKPDTSSWKLSDFELKNTLGTGSFGRVRIAHRKGTEEYYAIKCLRKREIIKMKQQQHVAQEKGILMELCHPFIVNMMCSFQDEKKVYFVLEFVMGGEMFTHLRTAGRFPNDVAKFYHAELVLAFEYLHSLDVIYRDLKPENLLLDNKGHAKVTDFGFAKKVPDRTFTLCGTPEYLAPEVIQSKGHGKAVDWWTMGVLLYEFIAGYPPFYDDTPFRIYEKILAGRLKFPNWFDGRARDLVKGLLQTDHTKRLGTLKGGPADVKSHPYFHGANWDKLYARYYPAPIPVRVKSPGDTSNFEKYPDSPVDRTPALTSAQQAEFKEF 1REJ Chain:A ((16-350)) ---------------------------------------------KEFLAKAKEDFLKKWETPSQNTAQLDQFDRIKTLGTGSFGRVMLVKHKESGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVAGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEI--RVSINEKCGKEFTEF

General information: TITO was launched using: RESULT: Template: 1REJ.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 : 1817 -162178 -89.26 -484.11 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -89.26 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_1REJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1REJ-query.scw PDB file : Tito_Scwrl_1REJ.pdb: