Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MEAYKIEHLNKSYADKTIFDNLDLSISEGEKIGLVGINGTGKSTLLKVIG-GIDDDFTANVMHPNQYRIRYSSQKQDLN---EDMTVFDAVLSSDTTTLRIIKQYEQAVQAYADDQSDKLFK-RMIDAQDAMDQHDAWDYNAEIKTILSKLGIHDTTKYIKELSGGQQKRVVLAKTLIEQPDLLLLDEPTNHLDFESISWLINYVKQYPHTVLFVTHDRYFLNEVSTRIIELNRGKLASYPGNYESYIEMRAEREVTLQKQQQKQRALYKEELAWMRAGAKARTTKQQARINRFNDLENEVNQQYKDDKGELNLAYSRLGKQVFELEDLSKAINDKVLFEHLTEIIQKGERIGVVGPNGAGKTTLLNILSGEDQQFEGKLKTGQTVKVAYFKQTDETLDRDIRMIDYLREESEVAKEKDGTSVSITQLLERFLFPSATHGKKVYKLSGGEQKRLYLLRLLVHQPNVLLLDEPTNDLDTETLTILEDYIHTFGGTVITVSHDRYFLNKVAQSYWFIHDGQMEKIIGTFEDYESYKKSLDKNKSTLKQQSKSYTTVRKKNGLSYKEKLEYEQLMKRIEQAEVRMEEIDVLMIEASADYGKIKELNEEKEQLEIQYDLDITRWSELEEIKEQQ |
| 2IWH Chain:A ((444-743)) | -----------AYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVDGF------PTQEECRTVYVEHDIDGTHSDTSVLDFVFESGVGTKEAIK--------------DKLIEFGFTDEMIAMP--------------------------ISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVK-KCPAAKAYEELSNTDLEFKFPEPGYLE-GVK---TKQKA-IVKVTNMEFQYPGTSKPQITDINFQCS-----------LSS-------------------RIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IWH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -43002 for 2043 contacts (-21.0/contact) +
2D Compatibility (PS) -31029 + (NN) -11876 + (LL) 26600
1D Compatibility (HY) -24000 + (ID) 5300
Total energy: -88607.0 ( -43.37 by residue)
QMean score : 0.353
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