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 4FFI Chain:C ((4-480)) -------------------------------------YHMTPPSGWLCNPQRPVTTHGAYQLYYLHSDQNN--GPGGWDHASTTDGVAFTHHGTVMPLRPDFPVWSGSAVVDTANTAGFGAGA---VVALATQPTDGVRKYQEQYLYWSTDGGFTFTALP-DPVIVNTDGRAATTPAEIENAEWFRDPKIHWDTARGEWVCVIGRLRYAAFYTSPNLRDWTLRRNFDYPNHALGGI-ECPDLFEITADDG--TRHWVLAASMDAYGIGLPMTYAYWTGTWDGEQFHADDLTPQ--WLDWGWDWYAAVTWPSIDAPETKRLAIAWMNNWKYAARDVPTDASDGYNGQNSIVRELRLARQPGGWYTLLSTPVAALTNYVTATTTLPDRTVDGSA---VLPWNGRAYEI--ELDIAWDTATNVGISVGRSPDGTRHTNIGKYGADLYVDRGPSDLAGYSLAPYS-RAAAPIDPGARSVHLRILVDTQSVEVFVNAGHTVLSQQVHFAEGDTGISLYTDGGPAHFTGIVVREIGQ----------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4FFI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2711 45260 16.69 99.04 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain C : 0.70 3D Compatibility (PKB) : 16.69 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_4FFI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FFI-query.scw PDB file : Tito_Scwrl_4FFI.pdb: