Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKSGTTRKASFDKETYLKGASFLYKKMIS-YIKFLRKEWKVMSWFTRAIDAAKRNDPAARSTAEIVLTYPGFHALFWHRFSHFLY-QHRLFLLAKINAQFWRFLTGVEIHPGATIGTGVFIDHGMGIVIGETAEIEDDVILFHGVTLGGTGKETGKRHPTVKQGAMLSANAQILGPVTIGKNAKIGAGAVVLKDVPDDATAVGVPAKVVRIKGEKVRRSE 4N6B Chain:A ((47-255)) LSHSSLERSLSFHLGNKLCSSTLLSTLLYDLFLNAFSSDPSLRSAAVADLRAARERD---VSYSHCLLNYKGFLACQAHRVAHLLWRQSRRPLALALHSRIANVFA-VDIHPAARIGKGILFDHATGVVVGETAVIGNNVSILHHVTLGGT---GGDRHPKIGDGVLIGAGATILGNIKIGEGAKVGAGSVVLIDVPPRTTAVGNPARLV-----------

General information: TITO was launched using: RESULT: Template: 4N6B.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 : 1080 -57796 -53.51 -287.54 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -53.51 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.512

(partial model without unconserved sides chains): PDB file : Tito_4N6B.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4N6B-query.scw PDB file : Tito_Scwrl_4N6B.pdb: