Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLAIASALLSALAVSGAANAYQAEVGGSYNYLDPDNGSSVSKFGVDGTYYFNPVQTRNAPLAEAAFLNRASNVNAHVNYGDNSGTKDTQYGVGVEYFVPNSDFYLSGDVGRNEREIDNTNIDSKVTTYAAEVGYLPAPGLLLALGVK--GYDEKDGKDGADPTVRAKYVTQVGQHDVNLEAYGAFGDLDEYKVRGDYYIDKTLSLGVD--YYNNDLTDKDEFGINAKKFLNQQVSVEGRVGFGDNDNTYGVRAAYRF 3BOE Chain:A ((2-210)) ISPAQIAEALQGRGW--DAEIVTDASMAGQLVDVRPE---GILKC-VDGRGSDNT--RMGGPKMPGGIYAIAHNRGVT----SIEGLKQITKEVASKGHLPSVHGDHSSD------------------MLGCGFFKLWVTGRFDDMGYPRPQFDADQGANAVKDA-GGIIEMHHGSHT-------------EKVVYINLLANKTLEPNENDQRFIVDGWAADKFGLDVPKFLIAAAATVEMLG-----GPKNAKIVVP-

General information: TITO was launched using: RESULT: Template: 3BOE.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 : 1155 -2933 -2.54 -14.30 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -2.54 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.171

(partial model without unconserved sides chains): PDB file : Tito_3BOE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3BOE-query.scw PDB file : Tito_Scwrl_3BOE.pdb: