Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSGLLDLLEIRKAYGDTRVLEGVALSLAPGEVVSLLGPSGCGKSTLLRIAAGLDDDFQGTVERNPILGFGPDGENGRSGGIGVVFQEPRLLPWLTVAQNVGFAD----GWLED--EHWVERLLADVGLAGCGGLLPKQLSGGMAQRAAIARGLYGRPQVLLLDEPFSAVDAFTRMRLQDLLQDVVQNYEISVLLVTHDLDEAFYLADRVLLMG-------GRPGHIRREFHVPLARPRDRRAVELAYLRGEALTEMQRAHVL
4U00 Chain:A ((3-234))
--PIIRIRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKDDRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGG-MTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEI-------FTRPKEERT--------------------
General information:
TITO was launched using:
RESULT:
Template:
4U00.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -135962 for 1759 contacts (-77.3/contact) +
2D Compatibility (PS) -24396 + (NN) -17604 + (LL) 3192
1D Compatibility (HY) -14800 + (ID) 4050
Total energy: -193620.0 ( -110.07 by residue)
QMean score : 0.498
(partial model without unconserved sides chains):
PDB file :
Tito_4U00.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4U00-query.scw
PDB file :
Tito_Scwrl_4U00.pdb
: