Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTYKFPENFWWGSAASGPQTEGAADVDGRKPSIWDHWYKIEPGRFFNDVGPTNTSNFYYQYKEDIALMKQTGHNSFRTSIQWSRLIPDGIGEVNPKAVDFYNRVIDEMLANDVEPFMNLYHFDMPMSMQEKGGFESREVVDAYATFAKTCFELFGDRVKHWFTFNEPIVPVEAGYLYDMHYPNVVDFKRATQVAYHTTLAHALAVKEFHALEIPEGQIGIILNLTPSYPRSQNPADLKAAHIADLIFNRSFLDPVTKGEFPTDLVEIIREHDALPEYTEEDLAIIKNNIIDILGVNYYQPRRVKAKEYAAHPDAPFMPEHLFDNYEMPYRKMNPYRGWEIFERAIYDIAINLRDNYDNIPFFISENGMGVEGESRYRNADGMIEDTYRIDFIKSHLKWLHKAIEEGANCHGYHLWTFMDCWSWANAYKNRYGLVEVDLDNDFKRTVKASGHWYKELAENNGFED |
3TA9 Chain:A ((13-456)) | ----FPEDFIWGAATSSYQIEGAFNEDGKGESIWDR-FSHTPGKIENGDTGDIACDHYHLYREDIELMKEIGIRSYRFSTSWPRILPEGKGRVNQKGLDFYKRLVDNLLKANIRPMITLYHWDLPQALQDKGGWTNRDTAKYFAEYARLMFEEFNGLVDLWVTHNEPWVVAFEGHAFGNHAPGTKDFKTALQVAHHLLLSHGMAVDIFREEDLP-GEIGITLNLTPAYPAGDSEKDVKAASLLDDYINAWFLSPVFKGSYPEELHHIYEQNLGAFTTQPGDMDIISRD-IDFLGINYYSRMVVRHK-----PGDNLFNAEVVKME-RPSTEM----GWEIYPQGLYDILVRVNKEYTDKPLYITENGAAFDDK---LTEEGKIHDEKRINYLGDHFKQAYKALKDGVPLRGYYVWSLMDNFEWAYGYSKRFGLIYVDYENGNRRFLKDSALWYREVIEKGQVE- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3TA9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -198190 for 3933 contacts (-50.4/contact) +
2D Compatibility (PS) -47242 + (NN) -22701 + (LL) 1572
1D Compatibility (HY) -33200 + (ID) 8650
Total energy: -308411.0 ( -78.42 by residue)
QMean score : 0.539
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