Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSKIIIATANKGKAKEFEKIFAKFNIEVATLADFPEIGEIEETGTTFAENAALKAETVASVLNQTVIADDSGLIVDALDGAPGVYSARYAGVAHDDAKNNEKLLKNLEGVEPDKRTARFHCTLAVATPSEKTSFYTGEVEGVIAEQLCGTNGFGYDPLFFLPEFGLTMAEIPAEKKNEISHRANAIKQLEKDLVEVVEKVTKK
4BNQ Chain:B ((2-186))
-KEIVIASNNQGKINDFKVIFPDYHV-IGISELIPDF-DVEETGSTFEENAILKSEAAAKALNKTVIADDSGLEVFALNGEPGIYSARYAGENKSDEANIEKLLNKL-GNTTDRR-AQFVCVISMSGPDMETKVFKGTVSGEIADGKYGENGFGYDPIFYVPKLDKTMAQLSKEQKGQISHRRNAINLLQ-------------
General information:
TITO was launched using:
RESULT:
Template:
4BNQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -76919 for 1465 contacts (-52.5/contact) +
2D Compatibility (PS) -19552 + (NN) -8656 + (LL) 1680
1D Compatibility (HY) -15200 + (ID) 4500
Total energy: -123147.0 ( -84.06 by residue)
QMean score : 0.589
(partial model without unconserved sides chains):
PDB file :
Tito_4BNQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4BNQ-query.scw
PDB file :
Tito_Scwrl_4BNQ.pdb
: