Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRLIQVMIMFTLLLTMAFSADAADSSYYDEDYRPQYHFTPEANWMNDPNGMVYYAGEYHLFYQYHPYGLQWGPMHWGHAVSKDLVTWEHLPVALYPDEKGTIFSGSAVVDKNNTSGFQTGKEKPLVAIYTQDREG---HQVQSIAYSNDKGRTWTKYAGNPVIPN--------PGKKD----FRDPKVFWYEKEKKWVMVLAAGDRILIYTSKNLKQWTYASEFGQDQGSHGGVWECPDLFELPVDGNPNQKKWVMQVSVGNGAVSGGSGMQYFVGDFDGTHFKNENPPNKVLWTDYGRDFYAAVSWSDIPSTDSRRLWLGWMSNWQY-ANDVPTSP---WRSATSIPRELKLKAFTEG-VRVVQTPVKELETIRGTSKKWKNLTISPASHNVLAGQSGDAYEINAEFKVSPGSAAEFGFKVRTGENQFTKVGYDRRNAKLFVDRSESGNDTFNPAFNTGKETAPLKPVNGKVKLRIFVDRSSVEVFGNDGKQVITDIILPDRSSKGLELYAANGGVKVKSLTIHPLKKVWGTTPFMSNMTGWTTVNGTWADTIEGKQGRSDGDSFILSSASGSDFTYESDITIKDGNGRGAGALMFRSDKDAKNGYLANVDAKHDLVKFFKFENGAASVIAEYKTPIDVNKKYHLKTEAEGDRFKIYLDDRLVIDAHDSVFSEGQFGLNVWDATAVFQNVTKES 4FFF Chain:A ((43-519)) -------------------------------------YHMTPPSGWLCDPQRPVTTHGAYQLYYLHSDQNN--GPGGWDHASTTDGVAFTHHGTVMPLRPDFPVWSGSAVVDTANTAGFGAGA---VVALATQPTDGVRKYQEQYLYWSTDGGFTFTALP-DPVIVNTDGRAATTPAEIENAEWFRDPKIHWDTARGEWVCVIGRLRYAAFYTSPNLRDWTLRRNFDYPNHALGGI-ECPDLFEITADDG--TRHWVLAASMDAYGIGLPMTYAYWTGTWDGEQFHADDLTPQ--WLDWGWDWYAAVTWPSIDAPETKRLAIAWMNNWKYAARDVPTDASDGYNGQNSIVRELRLARQPGGWYTLLSTPVAALTNYVTATTTLPDRTVDGSA---VLPWNGRAYEI--ELDIAWDTATNVGISVGRSPDGTRHTNIGKYGADLYVDRGPSDLAGYSLAPYS-RAAAPIDPGARSVHLRILVDTQSVEVFVNAGHTVLSQQVHFAEGDTGISLYTDGGPAHFTGIVVREIGQ----------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4FFF.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 : 2735 41289 15.10 90.35 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 15.10 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.467

(partial model without unconserved sides chains): PDB file : Tito_4FFF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FFF-query.scw PDB file : Tito_Scwrl_4FFF.pdb: