Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKGKTILVTGGTGSIGSEIVRQLLKYEPKAIRIYSRGEEKQFYMQQELSNHTNLRFLIGDIRDSQRIDYACRDVDIIFHAAAMKHVPASEYNPMEAVKTNVMGTQNVIDAAIKNNVKHFVGISTDKVVSPTNTMGATKLLSEKLIIAANQYKGKTETIFSCVRFGNVMGSSGSVIPLFSKQIKNNKDITLTDVDMTRFMMSIPDAARLVLSAAMNSKFGETYVLKMPAINILTLAQSLIKIYNDTHDEKYRGEIKVVGIRPGEKLYEELMTTDEIERSYENDKMYIIPPHYHATD--E-LYK-DYEKIKITAYSSDATELMSGQEFIRIAKENNVVTW 3W1V Chain:A ((23-350)) -FDDKILLITGGTGSFGNAVMKRFLDSNIKEIRIFSRDEKKQDDIRKKYN-NSKLKFYIGDVRDSQSVETAMRDVDYVFHAAALKQVPSCEFFPVEAVKTNIIGTENVLQSAIHQNVKKVICLSTDKAAYPINAMGISKAMMEKVFVAKSRNIRSEQTLICGTRYGNVMASRGSVIPLFIDKIKAGEPLTITDPDMTRFLMSLEDAVELVVHAFKHAETGDIMVQKAPSSTVGDLATALLELFE------ADNAIEIIGTRHGEKKAETLLTREEYAQCEDMGDYFRVPADSRDLNYSNYVETGNEKITQSYEYNSDNTHILTVEEIKEKLLTLEY---

General information: TITO was launched using: RESULT: Template: 3W1V.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 : 1762 -121757 -69.10 -375.79 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -69.10 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_3W1V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W1V-query.scw PDB file : Tito_Scwrl_3W1V.pdb: