Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKEVLSKSKEKMEKAEQALTRQLGTIRAGRANASLLDRLSVDYYGAATPVNQMASISVPEARMLLITPYDKTILGEIEKAILKSDLGLTPNNDGSVLRLSIPQLTEERRKELVKEVKKEAEEAKVAVRNIRREANEELKKLEKNGDITEDDLRSYGEDVQKLTDESIKNIDSITKDKEAEILEV
4KB2 Chain:A ((1-184))
MIDEALFDAEEKMEKAVAVARDDLSTIRTGRANPGMFSRITIDYYGAATPITQLASINVPEARLVVIKPYEANQLRAIETAIRNSDLGVNPTNDGALIRVAVPQLTEEARRELVKQAKHKGEEAKVSVRNIRRKAMEELHRIRKEGEAGEDEVGRAEKDLDKTTHQYVTQIDELVKHKEGELLE-
General information:
TITO was launched using:
RESULT:
Template:
4KB2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -45986 for 1337 contacts (-34.4/contact) +
2D Compatibility (PS) -20399 + (NN) -12510 + (LL) 192
1D Compatibility (HY) -14400 + (ID) 4700
Total energy: -97803.0 ( -73.15 by residue)
QMean score : 0.600
(partial model without unconserved sides chains):
PDB file :
Tito_4KB2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4KB2-query.scw
PDB file :
Tito_Scwrl_4KB2.pdb
: