Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDKKSENQTEKTETKENKGMTRREMLKLSAVAGTGIAVGATGLGTILNVVDQVDKALTPKEKAETGVPFYASNQAGIITAQQTYCYIASFDIQTESRQILQDLFVKWTKFADLTTSGGVLRDVDNDMLP---PNDTGEADGLGISNFTVTLGYGPTFFEKDGKDRFGVKAKKPKYLEKIPHMAHDSLDEAYSDGDLCIQVCADDQQVAFHGIRNFIRLASGVAVVRWIEEGF----LSAPKNETPRNLFGFKDGTANVDHDSNKGYKDVVWA-EKDEPEWMRNGSYLGYRKIQMLIEIWDRSSLLDQEDTFGRKKASGAPYHKKHEHDKVDPSKLPADSHVRLA---KDTKQQMHRRAYSYTNGIDKSTGTIDAGLLFICFTQNPAKQFLPMLSIMGKMDKLNEYTVPIGSAMFACQGGLAPGEIFGEKLL |
4GRC Chain:A ((76-424)) | -----------------------------------------------------------------SAVPFHGAHQAGIATPVQDRLHFAAFDVTTEDRAAFVALLKEWTAAARRLTAGHAVGEGAYGGLPEAPPDDTGEALGLKPSRLTLTIGFGPSLFT-----RFGLADLRPEALADLPKFPGDNLDRARSGGDLCVQACADDPQVAVHAIRNLARIGFGKVVVRWSQLGFGKTSSTTPDEQTPRNLLGFKDGTRNIAGTEKDRLDRFVWAAEKDGTPWMTGGSYLVARRIRMHIETWDRASLQEQEDVFGRDKGEGAPVGKAKERDEPFLKAMKPDAHVRLAHPDSNGGATLLRRGYSFTDGTD------DAGLFFLAYQRDIRTGFVPVQRNLA-TDALNEYIQHVGSAVFAVPPGV----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4GRC.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -100909 for 2766 contacts (-36.5/contact) +
2D Compatibility (PS) -35031 + (NN) -12420 + (LL) 4912
1D Compatibility (HY) -20000 + (ID) 7600
Total energy: -171048.0 ( -61.84 by residue)
QMean score : 0.381
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