Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLIAGLGNPGKKYERTRHNVGFMVVDELSFRHQTPWKK-SKFNGMTSEIIVGGEKMILVKPLTFMNASGECIRPLMDYYNIPIEDVVIVYDDLDLPVGKIRLRQKGSAGGHNGMKSIIQHVKTQ-EFNRIRVGVSRP-LKGEVINYVLGDFPKAEQPDIIAAIQKSADAIEDFAQTPFIEVMNKYNQK
2PTH Chain:A ((2-188))
IKLIVGLANPGAEYAATRHNAGAWFVDLLAERLRAPLREEAKFFGYTSRVTLGGEDVRLLVPTTFMNLSGKAVAAMASFFRINPDEILVAHDELDLPPGVAKFKLGGGHGGHNGLKDIISKLGNNPNFHRLRIGIGHPGDKNKVVGFVLGKPPVSEQKLIDEAIDEAARCTEMWFTDGLTKATNRLH--
General information:
TITO was launched using:
RESULT:
Template:
2PTH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113612 for 1507 contacts (-75.4/contact) +
2D Compatibility (PS) -19572 + (NN) -3235 + (LL) 184
1D Compatibility (HY) -11200 + (ID) 3500
Total energy: -150935.0 ( -100.16 by residue)
QMean score : 0.584
(partial model without unconserved sides chains):
PDB file :
Tito_2PTH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2PTH-query.scw
PDB file :
Tito_Scwrl_2PTH.pdb
: