Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEHSSWHALIKAQLPEGYFGKINQFMEQVYSQGIIYPPKEKVFQALLTTLLEEVKVVILGQDPYHGPGQAQGLSFSV-PDSIPAPPSLQNILKELSDDIG--VKKSHDLTAWAEQGVLLLNACLTVPAGQANGHAGQIWEPFTDAVIQVVNHLDRPVVFVLWGAYARKKKALVTNPHHLIIESAHPSPLSVYRGFWGSKPFSKANTFLKETGQEPIDWLR 4WS2 Chain:A ((39-235)) ---------------------MGQFLRAEIAAGRRYLPAGSNVLRAFTFPFDNVRVLIVGQDPYPTPGHAVGLSFSVAPDVRPWPRSLANIFDEYTADLGYPLPSNGDLTPWAQRGVLLLNRVLTVRPSNPASHRGKGWEAVTECAIRALAARAAPLVAILWGRDASTLKPMLAAGNCVAIESPHPSPLSASRGFFGSRPFSRANELLVGMGAEPIDW--

General information: TITO was launched using: RESULT: Template: 4WS2.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 : 967 -48625 -50.28 -250.64 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -50.28 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.549

(partial model without unconserved sides chains): PDB file : Tito_4WS2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WS2-query.scw PDB file : Tito_Scwrl_4WS2.pdb: