Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSTGASYPKYRFSVGKYTYGYQQFFYEGVNLKEIGAFCSIAQNVTI--TGMNHPTDHITTNPFIYYKSRGFINEDRADLIDEKKNGKVIIGNDVWIGTNVTILPSVTIGNGAIIGAGSVITKDIPDYAVVAGTPAKIIKYRFSEEEITLLNASQWWNWSDEAIKEHISEFSDKKEFFNTLKSISENKNHKL
1KHR Chain:C ((62-198))
--------------------------------KIGKFCSIGPGVTIIMNGANHRMDG-STYPFNLFGNGWEKHMPKLDQLPIK--GDTIIGNDVWIGKDVVIMPGVKIGDGAIVAANSVVVKDIAPYMLAGGNPANEIKQRFDQDTINQLLDIKWWNWPIDIINENIDKILDNSIIREVI-----------
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) -79313 for 877 contacts (-90.4/contact) +
2D Compatibility (PS) -14845 + (NN) -7500 + (LL) 2680
1D Compatibility (HY) -10800 + (ID) 3050
Total energy: -112828.0 ( -128.65 by residue)
QMean score : 0.376
(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
: