Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLIAGLGNPGKKYERTRHNVGFMVVDELSFRHQTPWKK-SKFNGMTSEIIVGGEKMILVKPLTFMNASGECIRPLMDYYNIPIEDVVIVYDDLDLPVGKIRLRQKGSAGGHNGMKSIIQHVKT-QEFNRIRVGVSRPLK-GEVINYVLGDFPKAEQPDIIAAIQKSADAIEDFAQTPFIEVMNKYNQK
2PTH Chain:A ((2-190))
IKLIVGLANPGAEYAATRHNAGAWFVDLLAERLRAPLREEAKFFGYTSRVTLGGEDVRLLVPTTFMNLSGKAVAAMASFFRINPDEILVAHDELDLPPGVAKFKLGGGHGGHNGLKDIISKLGNNPNFHRLRIGIGHPGDKNKVVGFVLGKPPVSEQKLIDEAIDEAARCTEMWFTDGLTKATNRLHAF
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) -109015 for 1528 contacts (-71.3/contact) +
2D Compatibility (PS) -19765 + (NN) -3845 + (LL) 0
1D Compatibility (HY) -11200 + (ID) 3450
Total energy: -147275.0 ( -96.38 by residue)
QMean score : 0.592
(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
: