Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFNRLFRVCFLAALIMAFTLPNSVYAQKPIFKEVSVHDPSIIET--NGTFYVFGSHLASAKSNDLMQWQQLTTSVSND-------NPLIPN------------VYEELKETFEWAQ--------SDTLWAADVTQLA-DGKYYMYYNACRGDSPRSAMGVAVADNIEGPYKNKGIFLKSGMEGTS---------------SDGTPYDA-----TKHPNVVDPHTFFDKDGKLWMVYGSYSGGIFILEMNPKTGFPLPG---------------QGYGKKLLGGNHSRIEGPYVLYNPDTQYYYLYLSYGGLDA--------TGGYNIRVARSKKPDGPYYDAEGNPMLDVRGKGGTFFDDRSIEPYGVKLMGSYTFETENE-KGTGYVSPGHNSAYYDEKTGRSYLIFHTRFPGRGEEHEVRVHQLFMNKDGWPVAAPYRYAGETLK--------EVKQKDITGTYKLIQHGKDISA---DIKQTINIQLNKNHTISGEMTGTWRKTGK-NTADITLAGKKYNGVFLRQWDSVREKNVMTFSVLNTSGEAVWGSK 4KCA Chain:A ((115-637)) -------------------------PSTYELKRVSVHDPSIVWDPSSKTYYIFGSHRAAAKTTDLMSWTAFTAPWKTATSNNAANNVAFETPAVKKVKKGGVDVDFPAFSATKWSAKGGSGYSVDGNMWAPDVIYNKVLKKWCMYLSING-NAWYSSIILLTADNIEGPYLYQGPVVIGGFKNGTEYKETDFELVLGPQSSLPERYATGGKWGDRYPNNIDPCVFYDEEGKLWMTYGSWSGGIWMIELDENTGLRDYDVTYELTGSGNGITVDPYFGKKIAGGYYVSGEASYIEY--IGGYYFLFVTYGGLAAGGVASDYNNGGYQMRVFRSEKPDGPYLDARGTDAVFASYK--LDFGPDANDNRGVNIFGAYGDWGNQTKGKNSERSQGHNSIIAAE-DGRTYLVYHTRFQNRGEEHEVRVHQVFQNEDGWLVAAPFEYTGETVKSADIATSQQVPTNKIAGSYKLLTHPFKLDHRVKELAKPVDIELNADGTITGSTTGTWSVKEGTSYITINLD-KEYKGVIVEQTLEPTSDKAFVFTALNRNGVTIWGYK

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 : 2601 101890 39.17 233.16 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 39.17 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.538

(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: