Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
METVLQAKNVRKIYGSKGNVYTALENISIDIKEGEFTGIMGPSGAGKSTLLNVLSTIDKPTSGQIVISGQELENMNEQQMSTFRRDKLGFIFQDYNLLDTLTIRENIIL-PLALAKRPVKEMEEKLAIISEKFGITEILDKYPSEISGGQKQRTAASRAIITSPSLIFADEPTGALDSKSATNLLESLRDLNEQDKSTIMMVTHD-AFAASFCKRILFIKDGELYTE------IYRGTKTR-KEFFQKILDVLAKLGGDSDDVI
4U00 Chain:A ((3-242))
--PIIRIRNLHKWFGP----LHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDG--LSVKDDRALREIRRE-VGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLA-QGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEEIFTRPKEERTRSFLQRVL--------------
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) -102656 for 1880 contacts (-54.6/contact) +
2D Compatibility (PS) -25269 + (NN) -11186 + (LL) 1180
1D Compatibility (HY) -21200 + (ID) 3950
Total energy: -163081.0 ( -86.75 by residue)
QMean score : 0.448
(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
: