Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVVTIERMESRINRLSAKIDAL--LEQQKKVISLLETYLSVYSTPQEASNKLFKGISQGMELAPEIAQEDEEKRLYVLQYLSHVDIT--KNKQDSQLKKDCLEFIQRFNIPKPIIVTALYNLKGIKPTKKEVAKQLQKLYVWERRYQQGGIDALKDRRGRPLKKP
3AQB Chain:A ((4-138))
MMRYLHKIELELNRLTSRYPFFKKIAFDAEIIKLVDDL-----NVDENVKCAIVAIDTSMRMQDFINEDNKDSFVLSTDVLSALFYKYLSQPFYQHDFLVLTDCVSRINELKSIRAT-------ITDEIALHNINKQIHYMFIQPYM------------------
General information:
TITO was launched using:
RESULT:
Template:
3AQB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -12133 for 865 contacts (-14.0/contact) +
2D Compatibility (PS) -13612 + (NN) -4300 + (LL) 1168
1D Compatibility (HY) -9200 + (ID) 1100
Total energy: -39177.0 ( -45.29 by residue)
QMean score : 0.405
(partial model without unconserved sides chains):
PDB file :
Tito_3AQB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AQB-query.scw
PDB file :
Tito_Scwrl_3AQB.pdb
: