Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGQKVNPIGFRLKINNNTWDSVWYANK-DYKEKLHQDLFIRSYINESFKHAGLSKIIIERKVDLLSVTIHSSRPGVIIGKKGLDIEKVKQKIAEKVKNSVEVNVVGIKRPEIDAALISSSIAQQLEKRVSFRRAMKKAIQSCLRMGGGGIKVGCSGRLGGAEIARTEWYKEGRLPLHTLRANIDYAFCEAKTIYGIIGVKVWVYIVN
2UUB Chain:C ((2-204))
-GNKIHPIGFRLGITRD-WESRWYAGKKQYRHLLLEDQRIRGLLEKELYSAGLARVDIERAADNVAVTVHVAKPGVVIGRGGERIRVLREELAKLTGKNVALNVQEVQNPNLSAPLVAQRVAEQIERRFAVRRAIKQAVQRVMESGAKGAKVIVSGRIGGAEQARTEWAAQGRVPLHTLRANIDYGFALARTTYGVLGVKAYIFLGE
General information:
TITO was launched using:
RESULT:
Template:
2UUB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -108244 for 1537 contacts (-70.4/contact) +
2D Compatibility (PS) -22091 + (NN) -8057 + (LL) 260
1D Compatibility (HY) -17200 + (ID) 4550
Total energy: -159882.0 ( -104.02 by residue)
QMean score : 0.480
(partial model without unconserved sides chains):
PDB file :
Tito_2UUB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2UUB-query.scw
PDB file :
Tito_Scwrl_2UUB.pdb
: