Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQWMELANRVLAGAEVTDEEALSILHCPDEDILLLMHGAFHIRKHFYGKKVKLNMIMNAKSGLCPENCGYCSQSAISKAPIESYRMVNKETLLEGAKRAHDLNIGTYCIVASGRGPSNREVDQVVDAVQEIKETYGLKVCACLGLLKPEQAKRLKDAGVDRYNHNLNTSQRN-HSNITTSHTYDDRVNTVEIAKESGLSPCSGAIIGIK-ETKQDVIDIAKSLKALDADSIPVNFLHAIDGTPLEGVNELNPLYCLKVLALFRFINPSKEIR--------ISGGREVNLRSLQPLGLYAANSIFVGDYLTTAGQEETEDHKMLSDLGFEVESVEEMKASLSAKS 5FF3 Chain:A ((35-284)) -----------------------------------LFKLADEIRRKYVGDEVHIRAIIEF-SNVCRKNCLYCGLRRDNKN-LKRYRMTPEE-IVERARLAVQFGAKT-IVLQSGEDPY-MP-DVISDIVKEIKKM-GVAVTLSLGEWPREYYEKWKEAGADRYLLRHETANPVLHRKLRPDTSFENRLNCLLTLKELGYETGAGSMVGLPGQTIDDLVDDLLFLKEHDFDMVGIGPFIPHPDTPLANEKKGDFTLTLKMVALTRILLPDSNIPATTAMGTIVPGGREITLR------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5FF3.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 : 1175 -98356 -83.71 -411.53 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -83.71 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.426

(partial model without unconserved sides chains): PDB file : Tito_5FF3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FF3-query.scw PDB file : Tito_Scwrl_5FF3.pdb: