Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSSILTDFEPKFLSSDDLLNLYAEYCNGHYCDFKYKQRRLSDGNIQSHLYFKKDHFIHDYNGIETFKRFIAVKAYDVDNI-TSLALSN--LLCEKFNLDILLTIEAMDKERALFFIRERKKRSKDISYQNIEYLEQMVSTDRAQIQKVSLSIMVFANSKKELDKKSIIVYNTLKKEGFSAVLESINMRPIFFSFFPERNFLNSRLRPQTSQNIASLIM---------FEKYQEGFKENSWGDCPVSVFKNQNGSAHFFNFQAKQGKDKNDNVV-------------------GHTMIIGSTGSGKSTFISFLIANLLTKYDMSVVALDRMNGLEIMTDFFEGQYNTANTDGGFYINPFSLKDSEENRQFLANWIKFMLNIDSDNQQDNKASQSIDKVIRDTYNYMGDQKNQINLLEIAKNLGSSEQDFNEILKSQGEKIYFKNFQDCLDFSNSPLSVINMDAFANDKKLMGLIAMYLFHKLFFEAKEHNKPFFYSLMKLKTTLCIL- |
4C2E Chain:A ((2-436)) | ------ADSERDKAMDKIEKAYELISNEYV--EKVDREKLLEGAIQGMLSTLNDPY-SVYMDKQTAKQFSDSLDSSFEGIGAEVGMEDGKIIIVSPFKKSPAEKAGLKPNDEIISINGESMAGKDLNHAVLKIRGKKGSSVSMKIQRPGTKKQLSFRIKRAEIPLETVFASEKKVQGHSVGYIAIST----FSEHTTEDF-AKALRELEKKEIEGLVIDVRGNPGGYIQSVEEILKHFVTKDQPYIQIAERNGDKKRYFSTLTHKKAYPVNVITDKGSAAASEILAGALKEAGHYDVVGDTSFGKGTVQQAVPMGDGSNIKLTLYKWLTPNGNWIHKKGIEPTIAI-KQPDYFSAGPLQLKEP--------------LKVDM-NNEDVKHAQVLLKGLS-------------------FDPGREDGYFSKDMKKAVMAFQDQN-------KLNKTGII-------DTRTAETLNQQIEKKKSDEKND---------LQLQTALKSLF |
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General information:
TITO was launched using:
| RESULT:
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Template: 4C2E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -12588 for 2906 contacts (-4.3/contact) +
2D Compatibility (PS) -41941 + (NN) -3159 + (LL) 5232
1D Compatibility (HY) -1200 + (ID) 3800
Total energy: -57456.0 ( -19.77 by residue)
QMean score : 0.137
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