Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSAAKDSCPAESSGHLNNEKAQLSKIPSSHPDPSKVAVASKVKAAYSFERPDTSSWKLSD-FELKNTLGTG-SFGRVRIAHRKGT-EEYYAIKCLRKREIIKM-KQQQHVAQEKGILMELC-HPFIVNMMCSFQDEKKVYFVLEFVMGGEMFTHLRTA-GRFPNDVAKFYHAELVLAFEYLHSLDVIYRDLKPENLLLDNK-GHAKVTDFGFAKKV----PDRTFTLCGTPEYLAPEVIQSK---GHGKAVDWWTMGVLLYEFIAGY-PPFYDDTP--FRIYEKILAGRLKFP-NWFDGRARDLVKGLLQTDHTKRLGTLKGGPADVKSHPYFHGAN---WDKLYARYYPAPIPVRVKSPGDTSNFEKYPDSPVDRTPALTSAQQAEFNGF 1CDK Chain:A ((8-350)) -------------------KGSEQESVKEFLAKAKEDFLKKWENPAQNTA------H--LDQFERIKTLGT-GSFGRVMLVKHKETG-NHFAMKILDKQKVVK-LKQIEHTLNEKRILQAV-NFPFLVKLEYSFKDNSNLYMVMEYVPGGEMFSHLRR-IGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQ-QGYIQVTDFGFAKRVKGRT----WTLCGTPEYLAPEIILS-KGY--NKAVDWWALGVLIYEMAAG-YPPFFAD--QPIQIYEKIVSGKVRFPS-HFSSDLKDLLRNLLQVDLTKRFGNLKDGVNDIKNHKWFA---TTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSI--NEKCGKEFSEF

General information: TITO was launched using: RESULT: Template: 1CDK.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 : 1657 9125 5.51 28.34 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : 5.51 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.415

(partial model without unconserved sides chains): PDB file : Tito_1CDK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1CDK-query.scw PDB file : Tito_Scwrl_1CDK.pdb: