Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MACERLGGQSGAADVDAAAPAMAAVNLTLGFAGKTVLDQVSMGFPARAVTSLMGPTGSGKTTFLRTLNRMNDKVSGYRYSGDVLLGGRSIFNYRDVLEFRRRVGMLFQRPNPFP-MSIMDNV-LAGVRAHKLVPRKEFRGVAQARLTEVGLWDAVKDRLSDSPFRLSGGQQQLLCLARTLAVNPEVLLLDEPTSALDPTTTEKIEEFIRSLAD-RLTVIIVTHNLAQAARISDRAALFFDGRLVEEGPTEQLFSSPKHAETARYVAGLSGDVKDAKRGN
4U02 Chain:A ((3-238))
-------------------PIIRIRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDF-----QEGEVVVDGLSVKDDRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRW-PREKAEKKALELLERVGILDQARK----YPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFL--------------
General information:
TITO was launched using:
RESULT:
Template:
4U02.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -125504 for 1954 contacts (-64.2/contact) +
2D Compatibility (PS) -25788 + (NN) -13359 + (LL) 1780
1D Compatibility (HY) -20400 + (ID) 4500
Total energy: -187771.0 ( -96.10 by residue)
QMean score : 0.484
(partial model without unconserved sides chains):
PDB file :
Tito_4U02.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4U02-query.scw
PDB file :
Tito_Scwrl_4U02.pdb
: