Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFNRLFRVCFLAALIMAFTLPNSVYAQKPIFKEVSVHDPSII--ETNGTFYVFGSHLASAKSNDLMQWQQLT----TSVSN-----------------------DNPLIPNVYEELKETFEWAQSDTLWAADVTQLADGKYYMYYNACRGDSPRSAMGVAVADNIEGPYKNKGIFLKSGMEGTSSDGTPYDAT------------------------KHPNVVDPHTFFDKDGKLWMVYGSYSGGIFILEMNPKTG-------FPLPGQG--------YGKKLLGGNHSRIEGPYVLYNPDTQYYYLYLSYGGLDA--------TGGYNIRVARSKKPDGPYYDAEGNPMLDVRGKGGTFFDDRSIEPYGVKLMGSYTFETENEKG-TGYVSPGHNSAYYDEKTGRSYLIFHTRFPGRGEEHEVRVHQLFMNKDGWPVAAPYRYAGETLK--------EVKQKDITGTYKLIQHGKDISADIKQT---INIQLNKNHTISGEMTGTWR-KTGKNTADITLAGKKYNGVFLRQWDSVREKNVMTFSVLNTSGEAVWGSK 4KCA Chain:A ((120-637)) ------------------------------LKRVSVHDPSIVWDPSSKTYYIFGSHRAAAKTTDLMSWTAFTAPWKTATSNNAANNVAFETPAVKKVKKGGVDVDFPAFSATKWSAKGGSGYSVDGNMWAPDVIYNKVLKKWCMYLSINGNAWYSSIILLTADNIEGPYLYQGPVVIGGFK----NGTEYKETDFELVLGPQSSLPERYATGGKWGDRYPNNIDPCVFYDEEGKLWMTYGSWSGGIWMIELDENTGLRDYDVTYELTGSGNGITVDPYFGKKIAGGYYVSGEASYIEYI--GGYYFLFVTYGGLAAGGVASDYNNGGYQMRVFRSEKPDGPYLDARGTDAVFASYK--LDFGPDANDNRGVNIFGAYGDWGNQTKGKNSERSQGHNSIIAAED-GRTYLVYHTRFQNRGEEHEVRVHQVFQNEDGWLVAAPFEYTGETVKSADIATSQQVPTNKIAGSYKLLTHPFKLDHRVKELAKPVDIELNADGTITGSTTGTWSVKEGTSYITINL-DKEYKGVIVEQTLEPTSDKAFVFTALNRNGVTIWGYK

General information: TITO was launched using: RESULT: Template: 4KCA.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 : 2580 112259 43.51 261.68 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 43.51 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.540

(partial model without unconserved sides chains): PDB file : Tito_4KCA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KCA-query.scw PDB file : Tito_Scwrl_4KCA.pdb: