Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MKQLKVENLTKTYGEKSLFENISLTITEGERIGLIGVNGTGKSTLLQIISGSESGDKGTVTKAKDYTIGYLAQDPAFNEEDT-VLAAVFDGDTAALRAMRKYEEVLLAMSLDAENTKLHDAYTAASQEMDASAAWDMNTEAKTILERLGITD--LTAKISALSGGQRKRVGLAQVLIETPDLLILDEPTNHLDFQSIRWLEEYLNRFKGAVLLVTHDRYFLDRVTNHMVELDRGSAYRYVGNYEKFMESKAIRMENEVRESEKNKNLYRKELAWMRRGPQGRATKQNARQD---RFHDLEKKVKIKTDDSELAIDFVTSRLGKDVFELKNLEKRFD--EKQVLQDFSLIIQPGERLGITGNNGTGKSTLLNMLAGKLAPDAGEVVTGQTVQIGYYTQQNEEMDPDMRMIAYLQEAGEQVTTSGGEVISVSAMLERFLFPPNSHGKKIGSLSGGEKRRLFLLRILMERPNVLLLDEPTNDLDTQTLTVLEDYLESFNGTVITVSHDRYFLDKVVNKLLVFRAIGEVEIFYGEYSDYLKELEAKGKPAKSMKKMANTSVEKSSPEKKEKVKLTYQEQLEWDGIEDAISKLEKDIESLNETLEQTGADFTKAAEISGFITAKETELEQMMERWEFLSQYAE |
| 2IW3 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: 2IW3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -103217 for 2025 contacts (-51.0/contact) +
2D Compatibility (PS) -31757 + (NN) -15531 + (LL) 25764
1D Compatibility (HY) -23600 + (ID) 5000
Total energy: -153341.0 ( -75.72 by residue)
QMean score : 0.433
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