Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MYSLQVEDIHKRYGSHEVLRGVSLRAGKGDVISIIGSSGSGKSTFLRCVNFLEKPCAGHIRVGDEELRTRPGALGELRAADPRQLQRIRSRLAMVFQHFNLWSHLTVLENVVECPVNVLRMNRDDAVARARHYLAKVGLAEKVERQYPCELSGGQQQRVAIARALAMEPQVMLFDEPTSALDPELVGEVLKVMQQLAEEGRTMVLVTHEMAFARQVSSHVIFLHQGVIEEEGTPDQVFGAPRSERLRQFLAGNLK
4U00 Chain:A ((5-238))
---IRIRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDG------------LSVKDDRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQA-RKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFL-----
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) -159684 for 1953 contacts (-81.8/contact) +
2D Compatibility (PS) -25383 + (NN) -13441 + (LL) 1084
1D Compatibility (HY) -24000 + (ID) 6250
Total energy: -227674.0 ( -116.58 by residue)
QMean score : 0.544
(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
: