Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIEINDVHKAYGQFEVVKGVDLRVDKGEVLSIIGGSGSGKSTLLMCINGLEPIQRGSIRVDGIDVHARGTDLNRLRRKIGIVFQQWNAFPHLTVLENVMLAPRKVLGKSRAEAEAMALKQLTHVGLGDKLKVFPQRLSGGQQQRMAIARALAMSPDYMLFDEATSALDPQLVGEVLDTMRLLAEEGMTMVLVTHEIRFARDVSDRVAFFRNGLVHEIGPPDQVIGNPQRPETVEFLRSVL
4U00 Chain:A ((4-242))
IIRIRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKD-DRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFLQRVL
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) -163249 for 1997 contacts (-81.7/contact) +
2D Compatibility (PS) -26652 + (NN) -18545 + (LL) 100
1D Compatibility (HY) -25600 + (ID) 6550
Total energy: -240496.0 ( -120.43 by residue)
QMean score : 0.609
(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
: