Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSTGASYPKYRFSVGKYTYGYQQFFYEGVNLKEIGAFCSIAQNVTI--TGMNHPTDHITTNPFIYYKSRGFINEDRADLIDEKKNGKVIIGNDVWIGTNVTILPSVTIGNGAIIGAGSVITKDIPDYAVVAGTPAKIIKYRFSEEEITLLNASQWWNWSDEAIKEHISEFSDKKEFFNTLKSISENKNHKL
1KHR Chain:E ((62-198))
--------------------------------KIGKFCSIGPGVTIIMNGANHRMDG-STYPFNLFGNGWEKHMPKLDQLPIK--GDTIIGNDVWIGKDVVIMPGVKIGDGAIVAANSVVVKDIAPYMLAGGNPANEIKQRFDQDTINQLLDIKWWNWPIDIINENIDKILDNSIIREV------------
General information:
TITO was launched using:
RESULT:
Template:
1KHR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -83426 for 866 contacts (-96.3/contact) +
2D Compatibility (PS) -14913 + (NN) -8015 + (LL) 2652
1D Compatibility (HY) -10800 + (ID) 3050
Total energy: -117552.0 ( -135.74 by residue)
QMean score : 0.398
(partial model without unconserved sides chains):
PDB file :
Tito_1KHR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1KHR-query.scw
PDB file :
Tito_Scwrl_1KHR.pdb
: