Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKGKTILVTGGTGSIGSEIVRQLLKY-EPKAIRIYSRGEEKQFYMQQELSNHTNLRFLIGDIRDSQRIDYACRDVDIIFHAAAMKHVPASEYNPMEAVKTNVMGTQNVIDAAIKNNVKHFVGISTDKVVSPTNTMGATKLLSEKLIIAANQYKGKTETIFSCVRFGNVMGSSGSVIPLFSKQIKNN-KDITLTDVDMTRFMMSIPDAARLVLSAAMNSKFGETYVLKMPAINILTLAQSLIKIYNDTHDEKYRGEIKVVGIRPGEKLYEELMTTDEIERSYENDKMYIIPPHYHATDELYKDYEKIKITAYSSDATELMSGQEFIRIAKENNVVTW 2GN6 Chain:B ((18-298)) MLDNQTILITGGTGSFGKCFVRKVLDTTNAKKIIVYSRDELKQSEMAMEF-NDPRMRFFIGDVRDLERLNYALEGVDICIHAAALKHVPIAEYNPLECIKTNIMGASNVINACLKNAISQVIALSTDKAANPINLYGATKLCSDKLFVSANNFKGSSQTQFSVVRYGNVVGSRGSVVPFFKKLVQNKASEIPITDIRMTRFWITLDEGVSFVLKSLKRMHGGEIFVPKIPSMKMTDLAKALAP----------NTPTKIIGIRPGEKLHEVMIPKDESHLALEFEDFFIIQP---------------------------------------------

General information: TITO was launched using: RESULT: Template: 2GN6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1473 -48766 -33.11 -174.79 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -33.11 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.475

(partial model without unconserved sides chains): PDB file : Tito_2GN6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2GN6-query.scw PDB file : Tito_Scwrl_2GN6.pdb: