Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MIRLLNLTLQRGPQRLLEAAELTLHAGQKAGLIGANGAGKSSLF-ALLRGQLGQDAGDCLLPA--DWRIAHMRQEVDTL--DRLAVDYVLDGDSRLREIQAALAVAEAAHDGSALARLHTELDNADGYTADARARKLLAGLGFSSEQMERRVGDFSGGWRMRLNLAQALMCPSDLLLLDEPTNHLDLDAILWLEEWLKGYPGTLVLISHDRDFLDAVVDHVVHLENRKLTLYRGGYSAFERTRAERLAQQQQAYEKQQAQRAHMESFIARFKAKATKARQAQSRIKALERLEELAPAHVDSPFNF---SFRESDKIS-RPLLDLGEGRLGY--GDKAVLEKVKLQLVPGARIGLLGPNGAGKSTLIKTLAGDLPELGGRLLRGENLAIGYFAQHQLDSLDPQ--ASPLLHLQ-RIAPGEREQTLKDFLGGFDFRGVRVDEPVLNFSGGEKARLALALIAWQKPNLLLLDEPTNHLDLEMRLALTMALQEFSGAVLVVSHDRHLLKSTTDEFLLVADGRVVPFDGDLDDYARWLVDYRARKAPQAETAPGAPTERTDKRAQRQAAAALRQQLAPHKREADKLERELGGLHEKLAAIEARLGDSALYDVSRKDELRELLSEQSSLKVREGELEERWLEALETLEALQKELEASE |
| 2IWH Chain:A ((441-774)) | ------FSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVDG------FPTQEECRTVYVEHDIDGTHSDTSVLDFVF---------ESGVGTKEAIKDK-------------------------LIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVK------------------------------KCPAAKA------------YEEL--SNTDLEFKFPEPGYLEGVKTKQKAIVKVTNMEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTGEDRETM------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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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) -154900 for 2203 contacts (-70.3/contact) +
2D Compatibility (PS) -34161 + (NN) -13378 + (LL) 25416
1D Compatibility (HY) -28400 + (ID) 5650
Total energy: -211073.0 ( -95.81 by residue)
QMean score : 0.353
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