Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSDPAEVPTASPLLETVGLACERDWRMLFERLDLRLAAGEMLQVVGPNGSGKTSLLRLLSGLMQPTAGEVRLNGRPLAE-QRGELARSLLWIGHAAGIKGLLSAEENLTWLCALHQPASREAIWQALADVGLRGF-----------EDVPCHTLSAGQQRRVALARLYLDAPPLWILDEPFTALDKQGVAQLETHLAGHCQRGGMVVL--TTHHSLQQVPAGYRELDLGALKAASGATVEPALGDPA
1JJ7 Chain:A ((31-217))
--------------------------LVLQGLTFTLRPGEVTALVGPNGSGKSTVAALLQNLYQPTGGQLLLDGKPLPQYEHRYLHRQVAAVGQEPQVFG-RSLQENIAY--GLTQKPTMEEITAAAVKSGAHSFISGLPQGYDTEVDEAGSQLSGGQRQAVALARALIRKPCVLILDDATSALDANSQLQVEQLLYESPERYSRSVLLITQHLSLVEQADHILFLEGGAIREGGTHQQLMEKKGCY
General information:
TITO was launched using:
RESULT:
Template:
1JJ7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -102268 for 1252 contacts (-81.7/contact) +
2D Compatibility (PS) -19126 + (NN) -11784 + (LL) 1988
1D Compatibility (HY) -9600 + (ID) 3200
Total energy: -143990.0 ( -115.01 by residue)
QMean score : 0.458
(partial model without unconserved sides chains):
PDB file :
Tito_1JJ7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1JJ7-query.scw
PDB file :
Tito_Scwrl_1JJ7.pdb
: