Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSELNLTTDEARVSYGIGRQLGDQLRENPVPGMTLDAVLAGLSDAFAGIDSRVSGEALSASFQVIRERMQAEAQAKAEAAAGEGRAYLAENAKREGVTVLPSGLQFEVLSTGEGAKPSREDTVRTHYHGTLIDGTVFDSSYQRGQPAEFPVGG--VIAGWVEALQLMNAGSKWRLHVPSELAYGGQAVGS-IPPHSVLVFDVELLEIL
4G50 Chain:A ((99-209))
------------------------------------------------------------------------------------------------VVTTESGLKYEDLTEGSGAEARAGQTVSVHYTGWLTDGQKFGSSKDRNDPFAFVLGGGMVIKGWDEGVQGMKVGGVRRLTIPPQLGYGARGAGGVIPPNATLVFEVELLDV-
General information:
TITO was launched using:
RESULT:
Template:
4G50.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -63920 for 817 contacts (-78.2/contact) +
2D Compatibility (PS) -11378 + (NN) -1070 + (LL) 6760
1D Compatibility (HY) -6400 + (ID) 2500
Total energy: -78508.0 ( -96.09 by residue)
QMean score : 0.584
(partial model without unconserved sides chains):
PDB file :
Tito_4G50.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4G50-query.scw
PDB file :
Tito_Scwrl_4G50.pdb
: