Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
METVLKAHKVRKVYGSKGNLFSALGSISLEIQKGSFVGIMGPSGAGKSTLLNVLSSIDKPTSGEIEIGGKQISTMNGKELAVFRRDQLGFIFQDYNLLDTMTVKDNIVL-PLALAHIKQAEIDQRFEIIARQFGIFELRNKYPTEISGGQKQRTAVCRAMITEPTLIFADEPTGALDSKSATNLLEGLSQAKDVRDS--TIMMVTHD-AFAASYCERIMFIKDGEIFTE------IYRGTSSR-KQFFQKVLDVLALLGGGENDVI
4U00 Chain:A ((3-242))
--PIIRIRNLHKWFGP----LHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDG--LSVKDDRALREIRRE-VGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVM---RDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFLQRVL--------------
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) -144874 for 1860 contacts (-77.9/contact) +
2D Compatibility (PS) -25000 + (NN) -9889 + (LL) 1456
1D Compatibility (HY) -22400 + (ID) 3850
Total energy: -204557.0 ( -109.98 by residue)
QMean score : 0.450
(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
: