Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKKRILSLLGVIALFLGVILVSCGNDDDNKNTTGVHKIVVEQSGNTDDFDLNIAFGAANTGGVAKLYNENGEYLGDSYLVN--KVTENKISCQTGKEGSMMTCAGSVISTSE-QAGKKLKISVIAYIDNKEVNRLEKEYITKGSTLVENFSVSTTSVE
2LGE Chain:A ((1-129))
-----------------------GDDDEPGGKGAMYEVTIEQSGDFRSFIKSVVVVANGTQLKD---GATGESLASPVILSDEELAVEKVTLSTTGKAIEFAVSGGVVDGEDGVVNEPMQWVVTVYKNGKEIEKKSLVFRDGKEISTDDLNLYYN---
General information:
TITO was launched using:
RESULT:
Template:
2LGE.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -35868 for 850 contacts (-42.2/contact) +
2D Compatibility (PS) -13760 + (NN) -4123 + (LL) 3212
1D Compatibility (HY) -5600 + (ID) 1050
Total energy: -57189.0 ( -67.28 by residue)
QMean score : 0.336
(partial model without unconserved sides chains):
PDB file :
Tito_2LGE.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2LGE-query.scw
PDB file :
Tito_Scwrl_2LGE.pdb
: