Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNDMLISLVIPVFALLVIGGIIWVIIEGIVHISKKNKAIDNFLNQVNKVSETYKFATAFLFLILATAGISQFYLYYIVSAFLFWLVILTFGIAGIIFLMPYGLCFLPLYKQKKKKQTFKKYMVYTTIGLSICLGLSLVLVHTTKIYMDEGGVRYYYG----SFVMKQAGGYAYLALAVLSTLLIVAKKATNKNKEIETVDNTNITER
4HKR Chain:A ((12-202))
-------------------------------TYLSWRKLQLSRAKLKASSKTSALLSGFAMVAMVEVQM--LIAFAICTTLLVAVHMLALMISTCI---------LPNPHERLHWYIETAWAFSTLLGLILFLLEIAILCWVKFYDLSRRAAWSATVVLIPVMIIFMAFAIHFYRSLVSHKYEVTVSGIRELEMLKEQMEQDHLEHH
General information:
TITO was launched using:
RESULT:
Template:
4HKR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -82010 for 993 contacts (-82.6/contact) +
2D Compatibility (PS) -16264 + (NN) -5953 + (LL) 4204
1D Compatibility (HY) -7600 + (ID) 950
Total energy: -108573.0 ( -109.34 by residue)
QMean score : 0.225
(partial model without unconserved sides chains):
PDB file :
Tito_4HKR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4HKR-query.scw
PDB file :
Tito_Scwrl_4HKR.pdb
: