Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNQWMELANRVLAGAEVTDEEALSILHCPDEDILLLMHGAFHIRKHFYGKKVKLNMIMNAKSGLCPENCGYCSQSAISKAPIESYRMVNKETLLEGAKRAHDLNIGTYCIVASGRGPSNREVDQVVDAVQEIKETYGLKVCACLGLLKPEQAKRLKDAGVDRYNHNLNTSQRN-HSNITTSHTYDDRVNTVEIAKESGLSPCSGAIIGIK-ETKQDVIDIAKSLKALDADSIPVNFLHAIDGTPLEGVNELNPLYCLKVLALFRFINPSKEIR--------ISGGREVNLRSLQPLGLYAANSIFVGDYLTTAGQEETEDHKMLSDLGFEVESVEEMKASLSAKS 5FF4 Chain:A ((45-294)) -----------------------------------LFKLADEIRRKYVGDEVHIRAIIEF-SNVCRKNCLYCGLRRDNKN-LKRYRMTPEE-IVERARLAVQFGAKT-IVLQSGEDPYYMP-DVISDIVKEIKKM-GVAVTLSLGEWPREYYEKWKEAGADRYLLRHETANPVLHRKLRPDTSFENRLNCLLTLKELGYETGAGSMVGLPGQTIDDLVDDLLFLKEHDFDMVGIGPFIPHPDTPLANEKKGDFTLTLKMVALTRILLPDSNIPATTAMGTIVPGGREITLR------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5FF4.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 : 1183 -97298 -82.25 -405.41 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -82.25 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_5FF4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FF4-query.scw PDB file : Tito_Scwrl_5FF4.pdb: