Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNINNRIGIYPGTFDPITFGHIDIIKRACKLVDRLIIGVAENINKHTTFDAKLRTSMAENEIKRLEIDVDVVSFNGLLVKFAKEQNASVIIRGLRAVSDFDYEFQMSWVNYKLLPEIETIFLPASEDTQFISSSFVKEIARLGESVSKFVSVGVQKELINLNRIGSE
3PNB Chain:C ((25-172))
--------VCPGSFDPVTLGHVDIFERAAAQFDEVVVAILVNPAKTGMFDLDERIAMVKESTTHLP-NLRVQVGHGLVVDFVRSCGMTAIVKGLRTGTDFEYELQMAQMN-KHIAGVDTFFVATAPRYSFVSSSLAKEVAMLGGDVSELLPEPVNRRLRDRLN----
General information:
TITO was launched using:
RESULT:
Template:
3PNB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -95426 for 1135 contacts (-84.1/contact) +
2D Compatibility (PS) -15860 + (NN) -4883 + (LL) 820
1D Compatibility (HY) -12800 + (ID) 2600
Total energy: -130749.0 ( -115.20 by residue)
QMean score : 0.484
(partial model without unconserved sides chains):
PDB file :
Tito_3PNB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3PNB-query.scw
PDB file :
Tito_Scwrl_3PNB.pdb
: