Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSNEKRFPEGFLWGGAVAANQVEGAYNEGGKGLSTADVSPNGIMSPFDESMTSLNLYHNG---IDFYHRYKEDIALFAEMGFKAFRTSIAWTRIFPNGDEEEPNEEGLRFYDDLFDELLKHHIEPVVTISHYEMPLGLVKNYGGWKNRKVIEFYERYAKTVFKRYQHKVKYWMTFNEINVVLHAPFTGGGLVFEEG-ENKLNAMYQAAHHQFVASALAVKAGHDIIPDSKIGCMIAATTTYPMTSK-PEDVFAA-MENERKTLFFSDVQARGAYPGY----MKRYLAENNIEIEMAEGDEELLK--EHTVDYIGFSYYMS--MAASTDPEELAKSGGNLLGG-----------VKNPYLKSSEWGWQIDPKGLRITLNTLYDRYQ--KPLFIVENGLGAVDKVEEDGTIQDDYRINYLRDHLIEAREAIADGVELIGYTSWGPIDLVSASTAEMKKRYGFIYVDRDNEGNGTFNRIKKKSFNWYQQVIATNGESL 4PBG Chain:A ((3-465)) -----KTLPKDFIFGGATAAYQAEGATHTDGKGPVAWD------------KYLEDNYWYTAEPASDFYHKYPVDLELAEEYGVNGIRISIAWSRIFPTG-YGEVNEKGVEFYHKLFAECHKRHVEPFVTLHHFDTPEALHSN-GDFLNRENIEHFIDYAAFCFEEFP-EVNYWTTFNEIGPIGDGQYLVGK--FPPGIKYDLAKVFQSHHNMMVSHARAVKLYKDKGYKGEIGVVHALPTKYPYDPENPADVRAAELEDIIHNKFILDATYLGHYSDKTMEGVNHILAENGGELDLRDEDFQALDAAKDLNDFLGINYYMSDWMQAFDGETEIIHNGKGEKGSSKYQIKGVGRRVAPDYVPRTDWDWIIYPEGLYDQIMRVKNDYPNYKKIYITCNGLGYKDEF-VDNTVYDDGRIDYVKQHLEVLSDAIADGANVKGYFIWSLMDVFSWSNG-YEKRYGLFYVDFDTQ-----ERYPKKSAHWYKKLAETQ----

General information: TITO was launched using: RESULT: Template: 4PBG.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 : 2513 40047 15.94 91.85 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 15.94 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.461

(partial model without unconserved sides chains): PDB file : Tito_4PBG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PBG-query.scw PDB file : Tito_Scwrl_4PBG.pdb: