Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSQLDSRSASARIRVFDQQRAEAAVRELLYAIGEDPDRDGLVATPSRVARSYREMFAGLYTDPDSVLNTMFDEDHDELVLVKEIPMYSTCEHHLVAFHGVAHVGYIPGDDGRVTGLSKIARLVDLYAKRPQVQERLTSQIADALMKKLDPRGVIVVIEAEHLCMAMRGVRKPGSVTTTSAVRGLFKTNAASRAEALDLILRK
4UQF Chain:A ((3-188))
--------------QIDKQKIADAVKVILEAVGENPDREGLIDTPMRVARMYEEVFAGLKKDPSVHFDTIFEEQHEELVLVKDIRFSSMCEHHLVPFFGVAHVAYLPQN-GRVAGLSKLARVVDDVSRRPQLQERITTTVAEIMMEKLKPLGVMVIMEAEHMCMTIRGVNKPGTKTITSAVRGAFKNDDKLRSEVLALIKH-
General information:
TITO was launched using:
RESULT:
Template:
4UQF.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -91865 for 1392 contacts (-66.0/contact) +
2D Compatibility (PS) -20798 + (NN) -12510 + (LL) 1096
1D Compatibility (HY) -18800 + (ID) 5250
Total energy: -148127.0 ( -106.41 by residue)
QMean score : 0.490
(partial model without unconserved sides chains):
PDB file :
Tito_4UQF.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4UQF-query.scw
PDB file :
Tito_Scwrl_4UQF.pdb
: