Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MFTGIIEEMGQVSRIRNGIKSQQLSIDAPKLVPLLRKGDSVAVNGVCLTVL---DKSETA--FIADVMPESMMRTSLAALRLHSKVNLELALRSDSRLGGHFVLGHVDGVGKIEKIQKDDIAVRFSIDAPPSIMSYIIEKGSVALDGISLTVVSFTEHSFEVSVIPHTMAQTNLSLKKVGDLLNIEVDVLGKYAEKFLAPTNRTNHTSSVMDWSFLSENGY
4GQN Chain:B ((1-197))
MFTGIITDIGKVDRVKPLNEGVLLRIETAYDPETIELGASIACSGVCLTVVALPEKGSNARWFEVEAWEEALRLTTISSWQSGRKINLERSLKLGDEMGGHLVFGHVDGQAEIVERKDEGDAVRFTLRAPEELAPFIAQKGSVALDGTSLTVNGVNANEFDVLLIRHSLEVTTWGERKAGDKVNIEIDQLARYAARLAQYQKLEH----------------
General information:
TITO was launched using:
RESULT:
Template:
4GQN.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113499 for 1482 contacts (-76.6/contact) +
2D Compatibility (PS) -19955 + (NN) 4172 + (LL) 744
1D Compatibility (HY) -13600 + (ID) 3700
Total energy: -145838.0 ( -98.41 by residue)
QMean score : 0.421
(partial model without unconserved sides chains):
PDB file :
Tito_4GQN.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4GQN-query.scw
PDB file :
Tito_Scwrl_4GQN.pdb
: