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 |
2IX3 Chain:A ((441-774)) | ------FSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVDG------FPTQEECRTVYVEHDIDGTHSDTSVLDFVF---------ESGVGTKEAIKDK-------------------------LIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVK------------------------------KCPAAKA------------YEEL--SNTDLEFKFPEPGYLEGVKTKQKAIVKVTNMEFQYPGTSKPQITDINFQCSLSSRIAVIGPNGAGKSTLINVLTGELLPTSGEVYTHENCRIAYIKQHAFAHIESHLDKTPSEYIQWRFQTGEDRETM------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2IX3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -148346 for 2211 contacts (-67.1/contact) +
2D Compatibility (PS) -33829 + (NN) -12145 + (LL) 25416
1D Compatibility (HY) -28400 + (ID) 5650
Total energy: -202954.0 ( -91.79 by residue)
QMean score : 0.360
|
|
|