Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIPVKKNLVSEAKYALKCPNAMSAEYITIHNTANDASAANEISYMIGNTSSTSFHFAVD-DQ--EVIQGLPLNRNAWHTGDGTN---GPGNRKSIGVEICYSKSGG-------PKYEAAE-ALAISFVAQLLKERGWGIDRVRKHQDWS--GKYCPHRILSEGRWDQVKAAIEKELNGGVSAKKAAVSSSASEYHVKKGDTLSGIAASHGASVKTLQSINHITDPNHIKIGQVIKLPQTASASKSHAASSYPLPSGVIKVTSPLTQGTKVKQVQTALAALYFYPDKGAKNHGVDGVYGPKTANAVKRFQSV-SGLTADGIYGPKTKAKMEEKL 4BOL Chain:A ((30-256)) ------------------ANQDSRVQFIVLHYTSTDLP-H---SLGILTHGGVSAHYLIGDDEPATVYRLVDENRRAWHAGVSEWQGRTWLNATSIGIEIVNQGYRDTPQGRVWYPFSEAQIQALIPLLKDIAKRHGITPDRIIGHSDIAPGRKVDPGPLF---PWKRLADAGL----VPW--------PK----------------------------------------------------P-----GELA-----RRLAELNGQLPDVRWFQQQLARHGYL-------VPQTGELEKDTRDVIGAFQMKYRPARFDGEPDLETAALLLAV-

General information: TITO was launched using: RESULT: Template: 4BOL.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 : 1008 -64688 -64.17 -308.04 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -64.17 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.303

(partial model without unconserved sides chains): PDB file : Tito_4BOL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BOL-query.scw PDB file : Tito_Scwrl_4BOL.pdb: