Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLKKLAVCLSIVLLLLGAASPISAHTVYPVNPNAQQTTKDIMNWLAHLPNRSENRVMSGAFGGYSDVTFSMTEENRLKNATGQSPAIYGCDYGRGWLETADITDTIDYCCNSSLISYWKSGGLPQVSLHLANPAFPS--------GNYKTAISNSQYKNI-LDPSTVEGKRLEALLSKIADGLTQLKNQGVTVLFRPLHEMNGEWFWWGLTGYNQKDNERISLYKELYKKIYRYMTETRGLDNLLWVYSPDANRDFKTDFYPGSSYVDITGLDAYFTDP-YAISGYDEML---SLKKPFAFAETGPSGNIGSFDYAAFINAIRQKYPQTTYFLTWDEQLSPAA----NQGAQSLYQNSWTLNKGEIWNGGSLTPIAE 3ZM8 Chain:A ((141-452)) ------------------------INPNLNNPNADTNAKKLYSYLRSVY---GNKIISGQQELH--------HAEWIRQQTGKTPALVAVDLMDYSP--SRVERGTTSHAVEDAIAHHNAGGIVSVLWHWNAPVGLYDTEENKWWSGFYTRATDFDIAATLANPQGANYTLLIRDIDAIAVQLKRLEAAGVPVLWRPLHEAEGGWFWWGAKGP--------EPAKQLWDILYERLTVHHGLDNLIWVWNSIL-----EDWYPGDDTVDILSADVYAQGNGPMSTQYNELIALGRDKKMIAAAEVGAAPLP---------GLLQAYQANWLWFAVWGDDFINNPSWNTVAVLNEIYNSDYVLTLDEIQGWRS------

General information: TITO was launched using: RESULT: Template: 3ZM8.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 : 1650 -146257 -88.64 -495.78 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -88.64 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.443

(partial model without unconserved sides chains): PDB file : Tito_3ZM8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ZM8-query.scw PDB file : Tito_Scwrl_3ZM8.pdb: