Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKQLKVENLTKTYGEKSLFENISLTITEGERIGLIGVNGTGKSTLLQIISGSESGDKGTVTKAKDYTIGYLAQDPAFNEEDT-VLAAVFDGDTAALRAMRKYEEVLLAMSLDAENTKLHDAYTAASQEMDASAAWDMNTEAKTILERLGITD--LTAKISALSGGQRKRVGLAQVLIETPDLLILDEPTNHLDFQSIRWLEEYLNRFKGAVLLVTHDRYFLDRVTNHMVELDRGSAYRYVGNYEKFMESKAIRMENEVRESEKNKNLYRKELAWMRRGPQGRATKQNARQD---RFHDLEKKVKIKTDDSELAIDFVTSRLGKDVFELKNLEKRFD--EKQVLQDFSLIIQPGERLGITGNNGTGKSTLLNMLAGKLAPDAGEVVTGQTVQIGYYTQQNEEMDPDMRMIAYLQEAGEQVTTSGGEVISVSAMLERFLFPPNSHGKKIGSLSGGEKRRLFLLRILMERPNVLLLDEPTNDLDTQTLTVLEDYLESFNGTVITVSHDRYFLDKVVNKLLVFRAIGEVEIFYGEYSDYLKELEAKGKPAKSMKKMANTSVEKSSPEKKEKVKLTYQEQLEWDGIEDAISKLEKDIESLNETLEQTGADFTKAAEISGFITAKETELEQMMERWEFLSQYAE |
| 2IX3 Chain:A ((445-744)) | ------------YGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQV--DGFPTQEECRTV-YVEHDIDGTHSDTSVLDFVFESGVGTKEAI------------------------------------------KDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEF----------------------------VKKCPAAKAYEELSNTDLEFKFPEPGYLEGVKTKQ-------------KAIVKVTNMEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQH------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IX3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -103673 for 2030 contacts (-51.1/contact) +
2D Compatibility (PS) -31777 + (NN) -16703 + (LL) 25764
1D Compatibility (HY) -23600 + (ID) 5000
Total energy: -154989.0 ( -76.35 by residue)
QMean score : 0.454
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