Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MVKTWEEFLKQEAKQPYFIELMEAVKDARAKGNV-YPSEEDMFSCFRLCPYNQVKVVILGQDPYHGPGQAHGLSFSVQKDVRIPPSLRNIYKELKTDL-DIEPADHGYLAKWAEQGVLLMNTSWSVEEGKAGSHKKLGWATFTDHVLEELNNYDKPLVFILWGNHAIKAASGITNPQHLIIKGVHPSPLAASRGFFGSKPFSKTNAFLEEHERKPIDWDLNEQ
2JHQ Chain:A ((6-221))
---TWHDVIGNEKQQAYFQQTLQFVESQRQAGKVIYPPAKDVFNAFRFTEFGDVKVVILGQDPYHGPNQAHGLCFSVLPGVKTPPSLVNIYKELAQDIPGFQIPPHGYLQSWAQQGVLLLNTVLTVEQGMAHSHANTGWETFTDRVIDALNQHRNGLIFLLWGSHAQKKGQMIDRQRHHVLMAPHPSPLSAHRGFLGCRHFSKTNQLLQAQGIAPINWQ----
General information:
TITO was launched using:
RESULT:
Template:
2JHQ.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113158 for 1732 contacts (-65.3/contact) +
2D Compatibility (PS) -22890 + (NN) -12426 + (LL) 784
1D Compatibility (HY) -20400 + (ID) 5350
Total energy: -173440.0 ( -100.14 by residue)
QMean score : 0.722
(partial model without unconserved sides chains):
PDB file :
Tito_2JHQ.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2JHQ-query.scw
PDB file :
Tito_Scwrl_2JHQ.pdb
: