Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKKLAVCLSIVLLLLGAASPISAHTVYPVNPNAQQTTKDIMNWLAHLPNRSENRVMSGAFGGYSDVTFSMTE------ENRLKNATGQSPAIYGCDY-------GRGWLETA---DITDTIDYCCNSSLISYWKSGGLPQVSLHLANPAFPSGNYKTAISNSQYKNILDPSTVEGKRLEALLSKIAD-GLTQLKNQG--VTVLFRPLHEMNGEWFWWGLTGYNQKDNERISLYKELYKKIYRYMTETRGLDNLLWVY----SPDANRDFKTDFYPGSSYVDITGLDAYFTDPYAISGYDEMLS---------------LKKPFAFAETGPSGNIGSFDYAAFINAIRQKYPQTTYFLTWDEQLSPAANQGAQSLYQNSWTLNKGEIWNGGSLTPIAE 2BVY Chain:A ((5-303)) -------------------------TIAIVDADATAETRSLLSYLDGV--RGEGIL----FGHQHTTSFGLTTGPTDGTTSDVKNVTGDFPAVFGWDTLIIEGNERPGLAENTRDENIALFADYIRKADAI-----GGVNTVSAHVEN--FVTGGSFYDTSGDTLRAVL-PGGSHHAELVAYLDDIAELADASRRDDGTLIPIVFRPWHENAGSWFWWG-AAYGSPGE-----YQELYRFTVEYLRDVKGVSNFLYAWGPGGGFGGNRDVYLRTYPGDAFVDVLGLDTYDS-----TGSDAFLAGLVADLRMIAEIADEKGKVSAFTEFGVSGGVGT-------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2BVY.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 : 1139 -86135 -75.62 -345.92 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -75.62 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.387

(partial model without unconserved sides chains): PDB file : Tito_2BVY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BVY-query.scw PDB file : Tito_Scwrl_2BVY.pdb: