Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAKFNVENEHVEVEIEKLYKFSPELVYEAWTKKDLLKQWFMTSARTNKEIEADVKEGGKYRIVDQQRNGKVNVIEGIYESLVMDEYVKMTIGMPGL-----SETQDVIEVEFFERETGGTQMLFYYRSLVEKERRFTNLEYKQKKKEYHDAMVHGFELMFDKMYHVIETSTQQ
2LEQ Chain:A ((2-144))
-------EIKLIAQVKTVINAPIEKVWEALVNPEIIKEYMFGT-----TVVSDWKEGSQIVWKGE-WKGKAYEDKGTILQFNERSILQYSHFSPLTGKPDLPENYHVVTITLTALKKG-VEVELTQDNNETEK--------------EQKHSEDNWNTMLEGLKKFLENKV--
General information:
TITO was launched using:
RESULT:
Template:
2LEQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -37129 for 869 contacts (-42.7/contact) +
2D Compatibility (PS) -14954 + (NN) -2824 + (LL) 2388
1D Compatibility (HY) -3600 + (ID) 900
Total energy: -57019.0 ( -65.61 by residue)
QMean score : 0.383
(partial model without unconserved sides chains):
PDB file :
Tito_2LEQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2LEQ-query.scw
PDB file :
Tito_Scwrl_2LEQ.pdb
: