Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRQYMKMVRPFDFVIIILLILGSFLPLILFSVAEAKHVGDDVVAIISQDGKVIREIPLTGHKGNEQFTIKGKGAQYNLMEVDGERIRIKEDNSPDQVGVKMGWKSKAGDTIVCLPHKVFVEIKSTNKKSKDPDTDLIVPN
2KPP Chain:A ((4-106))
-------------------------------------TGDEVVAIISQNGKVIREIPLTGHKGNEQFTIKGKGAQYNLMEVDGERIRIKEDNSPDQVGVKMGWKSKAGDTIVCLPHKVFVEIKSTQKDSKDPDTDLIVPN
General information:
TITO was launched using:
RESULT:
Template:
2KPP.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -15006 for 702 contacts (-21.4/contact) +
2D Compatibility (PS) -11152 + (NN) -6626 + (LL) 4196
1D Compatibility (HY) -12000 + (ID) 4900
Total energy: -45488.0 ( -64.80 by residue)
QMean score : 0.513
(partial model without unconserved sides chains):
PDB file :
Tito_2KPP.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2KPP-query.scw
PDB file :
Tito_Scwrl_2KPP.pdb
: