Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRQYMKMVRPFDFVIIILLILGSFLPLILFSVAEAKHVGDDVVAIISQDGKVIREIPLTGHKGNEQFTIKGKGAQYNLMEVDGERIRIKEDNSPDQVGVKMGWKSKAGDTIVCLPHKVFVEIKSTNKKSKDPDTDLIVPN
2KPP Chain:A ((2-106))
-----------------------------------KNTGDEVVAIISQNGKVIREIPLTGHKGNEQFTIKGKGAQYNLMEVDGERIRIKEDNSPDQVGVKMGWKSKAGDTIVCLPHKVFVEIKSTQKDSKDPDTDLIVPN
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) -13299 for 709 contacts (-18.8/contact) +
2D Compatibility (PS) -11355 + (NN) -6478 + (LL) 4088
1D Compatibility (HY) -12000 + (ID) 4950
Total energy: -43994.0 ( -62.05 by residue)
QMean score : 0.512
(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
: