Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MEAYKIEHLNKSYADKTIFDNLDLSISEGEKIGLVGINGTGKSTLLKVIG-GIDDDFTANVMHPNQYRIRYSSQKQDLN---EDMTVFDAVLSSDTTTLRIIKQYEQAVQAYADDQSDKLFKRMIDAQDAMDQHDAWDYNAEIKTILSKLGIHD--TTKYIKELSGGQQKRVVLAKTLIEQPDLLLLDEPTNHLDFESISWLINYVKQYPHTVLFVTHDRYFLNEVSTRIIELNRGKLASYPGNYESYIEMRAEREVTLQKQQQKQRALYKEELAWMRAGAKARTTKQQARINRFNDLENEVNQQYKDDKGELNLAYSRLGKQVFELEDLSKAINDKVLFEHLTEIIQKGERIGVVGPNGAGKTTLLNILSGEDQQFEGKLKTGQTVKVAYFKQTDETLDRDIRMIDYLREESEVAKEKDGTSVSITQLLERFLFPSATHGKKVYKLSGGEQKRLYLLRLLVHQPNVLLLDEPTNDLDTETLTILEDYIHTFGGTVITVSHDRYFLNKVAQSYWFIHDGQMEKIIGTFEDYESYKKSLDKNKSTLKQQSKSYTTVRKKNGLSYKEKLEYEQLMKRIEQAEVRMEEIDVLMIEASADYGKIKELNEEKEQLEIQYDLDITRWSELEEIKEQQ |
| 2IW3 Chain:A ((444-743)) | -----------AYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVDGF------PTQEECRTVYVEHDIDGTHSDTSVLDFVFESGVGTKEAIK--------------DKLIE---------------------------FGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVK-KCPAAKAYEELSNTDLEFKFPEPGYLE-GVK---TKQKA-IVKVTNMEFQYPGTSKPQITDINFQCS-----------LSS-------------------RIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQ--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IW3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -54111 for 2035 contacts (-26.6/contact) +
2D Compatibility (PS) -30782 + (NN) -10630 + (LL) 27064
1D Compatibility (HY) -24000 + (ID) 5250
Total energy: -97709.0 ( -48.01 by residue)
QMean score : 0.369
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