Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTDKKSENQTEKTETKENKGMTRREMLKLSAVAGTGIAVGATGLGTILNVVDQVDKALTPKEKAETGVPFYASNQAGIITAQQTYCYIASFDIQTESRQILQDLFVKWTKFADLTTSGGVLRDVDNDMLPPNDTGEADGLGISNFTVTLGYGPTFFEKDGKDRFGVKAKKPKYLEKIPHMAHDSLDEAYSDGDLCIQVCADDQQVAFHGIRNFIRLASGVAVVRWIEEGFLSAPKNETPRNLFGFKDGTANVDHDSNKGYKDVVWAEKDEPEWMRNGSYLGYRKIQMLIEIWDRSSLLDQEDTFGRKKASGAPYHKKHEHDKVDPSKLPADSHVRLAKDTKQQMHRRAYSYTNGIDKSTGTIDAGLLFICFTQNPAKQFLPMLSIM-----GKMDKLNEYTVPIGSAMFACQGGLAPGEIFGEKLL- |
3QNS Chain:A ((8-318)) | VARLAPQAVLTPPS-------------------------------------------------------------------AASLFLVLVAGDSDDDRATVCDVISG-------------IDGPLKAVGFRELAG--------SLSCVVGVGAQFWDRVSAS------SKPAHLHPFVPLSGPVHSAPSTPGDLLFHIKAARKDLCFELGRQIVSALGSAATVVDEVHGF----RYFDSRDLLGFVDGTEN---PTDDDAADSALIGDEDPDF-RGGSYVIVQKYLHDMSAWNTLSTEEQERVIGRTKLENVEL---------DDDAQPSNSHVTLNTIVDDDGVEHDILRDNMAFGSLGEAEYGTYFIGYAKDPAVTELMLRRMFLGEPPGNYDRVLDFSTAATGTLFFV-----PSRDVLESLGD |
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General information:
TITO was launched using:
| RESULT:
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Template: 3QNS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -39552 for 2543 contacts (-15.6/contact) +
2D Compatibility (PS) -31613 + (NN) -8064 + (LL) 6708
1D Compatibility (HY) -9600 + (ID) 3100
Total energy: -85221.0 ( -33.51 by residue)
QMean score : ?
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