Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVVAFKQVDVFTSQAFKGNPVAVIMDASTLTSEQMQAIANWTNLSETTFVLPAIDSQADYQVRIFTPQSELPFAGHPTIGTAYALLEAGLVKAKEGQLVQQCAAGLVTLTVNDSNH----ISFELPKPKITPLDALQTQKLAEILKCK--INTQWNAALVDVGARWVVLQAVNAKAVLASQPDLNALKQFSLEMKVTGSTIYGFYEESNEQKRIEVRSFAPAYGVNEDPVCGSGNGSVASFIRYHSILPAQNDVMLSSQGQALGR--------EGQLQLELHQDKILVGGAAVTCIDGTIKL 1XUB Chain:A ((27-298)) --------IDAFASVPLEGNPVAVFFDADDLPPAQMQRIAREMNLSESTFVLKPRNG-GDALIRIFTPVNELPFAGAPLLGTAIAL----GAHTDNHRLYLETQMGTIAFELERQNGSVIAASMDQPIPTWTALG-----RDAELLKALGISDSTFPIEIYHNGPRHVFVGLPSIDALSALHPDHRALSNFH-DMAINCFAGAG--------RRWRSRMFSPAYGVVEDAATGSAAGPLAIHLARHGQIEFGQPVEI-LQGVEIGRPSLMFAKAEGRAE---QLTRVEVSGNGVTFGRGTIVL

General information: TITO was launched using: RESULT: Template: 1XUB.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 : 1547 -67283 -43.49 -260.78 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -43.49 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.454

(partial model without unconserved sides chains): PDB file : Tito_1XUB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XUB-query.scw PDB file : Tito_Scwrl_1XUB.pdb: