Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNINNRIGIYPGTFDPITFGHIDIIKRACKLVDRLIIGVAENINKHTTFDAKLRTSMAENEIKRLEIDVDVVSFNGLLVKFAKEQNASVIIRGLRAVSDFDYEFQMSWVNYKLLPEIETIFLPASEDTQFISSSFVKEIARLGESVSKFVSVGVQKELINLNRIGSE
4NAT Chain:A ((2-155))
---EHTIAVIPGSFDPITYGHLDIIERSTDRFDEIHVCVL------GTFSLEERMDLIEQSVKHLP-NVKVHQFSGLLVDYCEQVGAKTIIRGLRAVSDFEYELRLTSMNKKLNNEIETLYMMSSTNYSFISSSIVKEVAAYRADISEFVPPYVEKALKKKFK----
General information:
TITO was launched using:
RESULT:
Template:
4NAT.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -99382 for 1138 contacts (-87.3/contact) +
2D Compatibility (PS) -15740 + (NN) -4751 + (LL) 1012
1D Compatibility (HY) -15600 + (ID) 3300
Total energy: -137761.0 ( -121.06 by residue)
QMean score : 0.459
(partial model without unconserved sides chains):
PDB file :
Tito_4NAT.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NAT-query.scw
PDB file :
Tito_Scwrl_4NAT.pdb
: