Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTIAKMIDHTALKPDTTKEQILTLTKEAREYGFASVCVNPTWVKLSAEQLAGAESVVCTVIGFPLGANTPEVKAFEVKDAIQNGAKEVDMVINIGALKDKDDELVERDIRAVVDVAKGKALVKVIIETCLLTD--EEKVRA--CEIAVKAGTDFVKTSTGFS-TGGATAEDIALMRKTVGPNIGVKASGGVRTKEDVEKMIEAGATRIGASAGVAIVSGEKPAKPDNY
3NDO Chain:B ((13-227))
--VAALVDHTLLKPEATPSDVTALVDEAADLGVFAVCVSPPLVSVAA-GVAPSGLAIAAVAGFPSGKHVPGIKATEAELAVAAGATEIDMVIDVGAALAGDLDAVSADITAVRKAVR-AATLKVIVESAALLEFSGEPLLADVCRVARDAGADFVKTSTGFHPSGGASVQAVEIMARTVGERLGVKASGGIRTAEQAAAMLDAGATRLGLSGSRAVLDG---------
General information:
TITO was launched using:
RESULT:
Template:
3NDO.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -113121 for 1914 contacts (-59.1/contact) +
2D Compatibility (PS) -23639 + (NN) -14992 + (LL) 224
1D Compatibility (HY) -13600 + (ID) 4600
Total energy: -169728.0 ( -88.68 by residue)
QMean score : 0.599
(partial model without unconserved sides chains):
PDB file :
Tito_3NDO.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3NDO-query.scw
PDB file :
Tito_Scwrl_3NDO.pdb
: