Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNINNRIGIYPGTFDPITFGHIDIIKRACKLVDRLIIGVAENINKHTTFDAKLRTSMAENEIKRLEIDVDVVSFNGLLVKFAKEQNASVIIRGLRAVSDFDYEFQMSWVNYKLLPEIETIFLPASEDTQFISSSFVKEIARLGESVSKFVSVGVQKELINLNRIGSE
4NAU Chain:A ((2-155))
---EHTIAVIPGSFDPITYGHLDIIERSTDRFDEIHVCVLKNSKKEGTFSLEERMDLIEQSVKHLP-NVKVHQFSGLLVDYCEQVGAKTIIRGLRAVSDFEYELRLTSMNKKLNNEIETLYMMSSTNYSFISSSIVKEVAAYRADISEFVPPYVEKALKKKFK----
General information:
TITO was launched using:
RESULT:
Template:
4NAU.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96209 for 1150 contacts (-83.7/contact) +
2D Compatibility (PS) -16205 + (NN) -3259 + (LL) 756
1D Compatibility (HY) -15200 + (ID) 3400
Total energy: -133517.0 ( -116.10 by residue)
QMean score : 0.451
(partial model without unconserved sides chains):
PDB file :
Tito_4NAU.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NAU-query.scw
PDB file :
Tito_Scwrl_4NAU.pdb
: