Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MCTARTAEEIFVETIAVKTRILNDR-V-LLEAARAIGDRLIAGYRAGARVFMCGNGGSAADAQHFAAELTGHLIFDRPPLGAEALHANSSHLTAVANDYDYDTVFARALEGSARPGDTLFAISTSGNSMSVLRAAKTARELGVTVVAMTGESGGQLAEFADFLINVPSRDT-GRIQESHIVFIHAISEHVEHALFAPRQ
2I2W Chain:A ((24-211))
----DLIRNELNEAAETLANFL--KDDANIHAIQRAAVLLADSFKAGGKVLSCGNGGSHCDAMHFAEELTGRYRENRPGYPAIAISDVS-HISCVGNDFGFNDIFSRYVEAVGREGDVLLGISTSGNSANVIKAIAAAREKGMKVITLTGKDGGKMAGTADIEIRVPHFGYADRIQEIHIKVIHILIQLIEKEMV----
General information:
TITO was launched using:
RESULT:
Template:
2I2W.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129874 for 1538 contacts (-84.4/contact) +
2D Compatibility (PS) -20540 + (NN) -16014 + (LL) 500
1D Compatibility (HY) -10400 + (ID) 3550
Total energy: -179878.0 ( -116.96 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_2I2W.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2I2W-query.scw
PDB file :
Tito_Scwrl_2I2W.pdb
: