Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRNVMLITGASRGIGAATALLAAERGYAVVLNYLRNREAAEALRQRIERQGGEALAVAADVAEEGDVERLFASIDERFGRLDVLVNNAGMLEAQTRLENIDAARLHRVFATNVTGSFLCAREAVKRLSTRHGGRGGSIVNVSSMASRLGSPNEYIDYAAAKGAIDSMTIGLAREVAAEGIRVNAVRPGLIDTEIHASG-GEPGRIERLKGGIPLGRGGTAEEVARAILWLASDEASYSTGTFIDVSGGR
3AY6 Chain:B ((17-257))
---VVVITGGSTGLGRAMAVRFGQEEAKVVINYYNNEEEALDAKKEVEEAGGQAIIVQGDVTKEEDVVNLVQTAIKEFGTLDVMINNAG-VENPVPSHELSLDNWNKVIDTNLTGAFLGSREAIKYFVEND--IKGNVINMSSVHEMIPWP-LFVHYAASKGGMKLMTETLALEYAPKGIRVNNIGPGAMNTPINAEKFADPVQRADVESMIPMGYIGKPEEVAAVAAFLASSQASYVTGITLFADGG-
General information:
TITO was launched using:
RESULT:
Template:
3AY6.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115540 for 2078 contacts (-55.6/contact) +
2D Compatibility (PS) -26285 + (NN) -10228 + (LL) 112
1D Compatibility (HY) -18000 + (ID) 4650
Total energy: -174591.0 ( -84.02 by residue)
QMean score : 0.576
(partial model without unconserved sides chains):
PDB file :
Tito_3AY6.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3AY6-query.scw
PDB file :
Tito_Scwrl_3AY6.pdb
: