Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MYSLQVEDIHKRYGSHEVLRGVSLRAGKGDVISIIGSSGSGKSTFLRCVNFLEKPCAGHIRVGDEELRTRPGALGELRAADPRQLQRIRSRLAMVFQHFNLWSHLTVLENVVECPVNVLRMNRDDAVARARHYLAKVGLAEKVERQYPCELSGGQQQRVAIARALAMEPQVMLFDEPTSALDPELVGEVLKVMQQLAEEGRTMVLVTHEMAFARQVSSHVIFLHQGVIEEEGTPDQVFGAPRSERLRQFLAGNLK
4U02 Chain:D ((5-238))
---IRIRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDG------------LSVKDDRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQA-RKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFL-----
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) -153912 for 1970 contacts (-78.1/contact) +
2D Compatibility (PS) -25270 + (NN) -12381 + (LL) 1084
1D Compatibility (HY) -24000 + (ID) 6250
Total energy: -220729.0 ( -112.05 by residue)
QMean score : 0.562
(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
: