Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDVTIVKEGWVQKRGEYIKNWRPRYFLLKTDGSFIGYKEKPQDVDLPYPLNNFSVAKCQLMKTERPKPNTFIIRCLQWTTVIERTFHVDTPEEREEWTEAIQAVADRLQRQEEERMNCSPTSQIDNIGEEEMDASTTHHKRKTMNDFDYLKLLGKG-TFGKVILVREKAS-GKYYAMKILKKEVIIAKDEVAHTLTESRVLK--NTRHPFLTSLKYSFQTKDRLCFVMEYVNGGELFFHLSR-ERVFSEDRTRFYGAEIVSALDYLHSGK--IVYRDLKLENLMLD-KDGHIKITDFGLCKEGITDAATMK--TFCGTPEYLAPEVLEDN---DYGRAVDWWGLGVVMYEMMCG-RLPFY--NQDHEKLFELILME------DIKFPRTLSSDAKSLLSGLLIKDPNKRLGGGPDDAKEIMRHSFFSGVN---WQDVYDKKLVPPFKPQVTSETDTRYFDEEFTAQTITITPPEKYDEDGMDCMDNERRPHFPQFSYSASGRE 1CDK Chain:A ((8-350)) -------------------------------------------------------------------------------------------KGSEQESVKEFLAKAKEDFLKKWENPAQNTA-------------------H--LDQFERIKTLGT-GSFGRVMLVKHKETG-NHFAMKILDKQKVVKLKQIEHTLNEKRILQAV--NFPFLVKLEYSFKDNSNLYMVMEYVPGGEMFSHLRRI-GRFSEPHARFYAAQIVLTFEYLHS--LDLIYRDLKPENLLIDQ-QGYIQVTDFGFAKRV-K--G--RTWTLCGTPEYLAPEIILS-KGY--NKAVDWWALGVLIYEMAAGY-PPFFAD--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 : 1620 -7812 -4.82 -24.57 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -4.82 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.317

(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: