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 2X2Y Chain:A ((4-303)) ------------------------ETIAIVDADATAETRSLLSYLDGV--RGEGIL----FGHQHTTSFGLTTGPTDGTTSDVKNVTGDFPAVFGWDTLIIEGNERPGLAENTRDENIALFADYIRKADAI-----GGVNTVSAHVEN--FVTGGSFYDTSGDTLRAVL-PGGSHHAELVAYLDDIAELADASRRDDGTLIPIVFRPWHENAGSWFWWG-AAYGSPGE-----YQELYRFTVEYLRDVKGVSNFLYAWGPGGGFGGNRDVYLRTYPGDAFVDVLGLDTYDS-----TGSDAFLAGLVADLRMIAEIADEKGKVSAFTEFGVSGGVGT-------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2X2Y.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 : 1146 -84574 -73.80 -338.30 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -73.80 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.364

(partial model without unconserved sides chains): PDB file : Tito_2X2Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2X2Y-query.scw PDB file : Tito_Scwrl_2X2Y.pdb: