Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRLIQVMIMFTLLLTMAFSADAADSSYYDEDYRPQYHFTPEANWMNDPNGMVYYAGEYHLFYQYHPYGLQWGPMHWGHAVSKDLVTWEHLPVALYPDEKGTIFSGSAVVDKNNTSGFQTGKEKPLVAIYTQDR---EGHQVQSIAYSNDKGRTWTKYAGNPVIPN-P-----------GKKDFRDPKVFWYEKEKKWVMVLAAGDRILIYTSKNLKQWTYASEFGQDQGSHGGVWECPDLFELPVDGNPNQKKWVMQVSVGNGAVSGGSGMQYFVGDFDGTHFKNENPPNKVLWTDYGRDFYAAVSWSDIPSTDSRRLWLGWMSNWQYAN-DVP---TSPWRSATSIPRELKLKAF-TEGVRVVQTPVKELETIRGTSKKWKNLTISPASHNVLAGQSGDAYEINAEFKVSPGSAAEFGFKVRTGE--NQFTKVGYDRRNAKLFVDRSESGNDTFNPAFNTGKETAPLKPVNGKVKLRIFVDRSSVEVFGNDGKQVITDIILPDRSSKGLELYAANGGVKVKSLTIHPLKKVWGTTPFMSNMTGWTTVNGTWADTIEGKQGRSDGDSFILSSASGSDFTYESDITIKDGNGRGAGALMFRSDKDAKNGYLANVDAKHDLVKFFKFENGAASVIAEYKTPIDVNKKYHLKTEAEGDRFKIYLDDRLVIDAHDSVFSEGQFGLNVWDATAVFQNVTKES 4FFH Chain:A ((2-481)) -----------------------------------AVYHMTPPSGWLCNPQRPVTTHGAYQLYYLHSDQN--NGPGGWDHASTTDGVAFTHHGTVMPLRPDFPVWSGSAVVDTANTAGFGAG---AVVALATQPTDGVRKYQEQYLYWSTDGGFTFTALP-DPVIVNTDGRAATTPAEIENAEWFRDPKIHWDTARGEWVCVIGRLRYAAFYTSPNLRDWTLRRNFDYPN-HALGGIECPDLFEITADD--GTRHWVLAASMDAYGIGLPMTYAYWTGTWDGEQFHADD--LTPQWLDWGWDWYAAVTWPSIDAPETKRLAIAWMNNWKYAARDVPTDASDGYNGQNSIVRELRLARQPGGWYTLLSTPVAALTNYVTATTTLPDRTV-DG--SAVLPWNGRAYEIELDIAW--DTATNVGISVGRSPDGTRHTNIGKY--GADLYVDRGPSDLAGYSLAPY-SRAAAPIDPGARSVHLRILVDTQSVEVFVNAGHTVLSQQVHFAEGDTGISLYTDGGPAHFTGIVVREIGQA---------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4FFH.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 8213 3.00 17.93 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 3.00 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.493

(partial model without unconserved sides chains): PDB file : Tito_4FFH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4FFH-query.scw PDB file : Tito_Scwrl_4FFH.pdb: