Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEHSSWHALIKAQLPEGYFGKINQFMEQVYSQGIIYPPKEKVFQALLTTLLEEVKVVILGQDPYHGPGQAQGLSFSV-PDSIPAPPSLQNILKELSDDIG--VKKSHDLTAWAEQGVLLLNACLTVPAGQANGHAGQIWEPFTDAVIQVVNHLDRPVVFVLWGAYARKKKALVTNPHHLIIESAHPSPLSVYRGFWGSKPFSKANTFLKETGQEPIDWLR 4WRU Chain:A ((39-235)) ---------------------MGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDW--

General information: TITO was launched using: RESULT: Template: 4WRU.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 : 952 -52650 -55.30 -271.39 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -55.30 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.546

(partial model without unconserved sides chains): PDB file : Tito_4WRU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WRU-query.scw PDB file : Tito_Scwrl_4WRU.pdb: