Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKKLAVCLSIVLLLLGAASPISAHTVYPVNPNAQQTTKDIMNWLAHLPNRSENRVMSGAFGGYSDVT--FSMTEENRLKNATGQSPAIYGCDYGRGWLETADITDTIDYCCN----SSLISYWKSGGLPQVSLHLANPAFPSGNYKTAISNSQYKNILDPSTVEGKRLEALLSKIADGLTQLKN-------QGVTVLFRPLHEMNGEWFWWGLTGYNQKDNERISLYKELYKKIYRYMTETRGLDNLLWVYSPDANR-------DFKTDFYPGSSYVDITGLDAYFTDPY-------------AISGYDEML----SLKKPFAFAETGPSGN-IGSFDYAAFINAIRQ--KYPQTTYFLTWDEQLS----------PAA----NQGAQSLYQNSWTLNKGEIWNGGSLTPIAE 4CD5 Chain:A ((53-416)) -------------------------LPALIDTQATAETRALYRNLAKLR---YKHLLFGHEDSLAYGVHWEGDMDRSDVRDVTGANPAVYGWELGGL--ELGHTA-NLDAVNFEKMQHWIKAGYSRGGVITISWHVFNPVSG--GNSWDKTPA-VH-ELIPGGARHATLKAYLDTFVAFNEGLADVDAQGNKHYPPIIFRPWHEHNGDWFWWGKGHA------SEQDYIALWRFTVHYLRDEKKLRNLIYAYSPDRSRIDMANFEAGYLYGYPGDAYVDIIGLDNYWDVGHEANTASADEQKAALTASLKQLVQIARSKGKIAALTETGNNRLTIDNFWTERLLGPISADADASEIAYVMVWRNANLAREKSEQFFAPFPGQATADDFKRFYQSEVVLFEDELPP---------

General information: TITO was launched using: RESULT: Template: 4CD5.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 : 1742 -139062 -79.83 -448.59 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -79.83 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_4CD5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CD5-query.scw PDB file : Tito_Scwrl_4CD5.pdb: