Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIAKVINNNVISVVNEQGKELVVMGRGLAFQKKSGDDVDEARIEKVFTLDNKDVSEKFKTLLYDIPIECMEVSEEIISYAKLQLGKKLN--DSIYVSLTDHINFAIQRNQKGLDIK-NALLWETKRLYKDEFAIGKEALVMVKNKTGVSLPEDEAGFIALHIVNAELNEEMPNIINITKVMQEILSIVKYHFKIEFNEESLHYYRFVTHLKFFAQRLFNGTHMESQDDFLLDTVKEKYHRAYECTKKIQTYIEREYEHKLTSDELLYLTIHIERVVKQA 4R6I Chain:A ((291-386)) ----------------------------------------------------------------------MPLAKEITKGIEHKLQLGINYDESFLTYVVLIIKKALDKNFIQYYNYNIKFIRHIKQRHPNTFNTIQECISNLNYTVYSHFDCYEISLLTMHFETQ------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4R6I.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 : 301 -18994 -63.10 -204.24 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -63.10 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.496

(partial model without unconserved sides chains): PDB file : Tito_4R6I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R6I-query.scw PDB file : Tito_Scwrl_4R6I.pdb: