Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDIEKISFSLISLAGDSFSKLIEALQAAKESDSELVEQLLKEADDLMIEAHKVQTEMLIQETRGEQANFSVLLVHAQDTLMNTILASTLIREMIEMHQEIKTLRKEEEK
3K1S Chain:A ((6-108))
TTAEQIPFQLILNSGNARSFAMEALQFAKQGKMAEADEAMVKAKEAINEAHHFQTELIQSEARGEKTEISVLLIHAQDHLMNAITVKELAAEFIDLYKKLEAK------
General information:
TITO was launched using:
RESULT:
Template:
3K1S.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -29349 for 717 contacts (-40.9/contact) +
2D Compatibility (PS) -11596 + (NN) -10065 + (LL) 540
1D Compatibility (HY) -4000 + (ID) 1950
Total energy: -56420.0 ( -78.69 by residue)
QMean score : 0.571
(partial model without unconserved sides chains):
PDB file :
Tito_3K1S.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3K1S-query.scw
PDB file :
Tito_Scwrl_3K1S.pdb
: