Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDVLIIEDDPMVEFIHRNYLEKLNYFQNIYSTASQTQAIAYLNDIKIQLVLLDIHIKEGNGLELLKLLRNQ--HQNTEVIVISAANEAHTVKEAFHLGIVDYLIKPFTFERFESSIEKFLNHYHTFEADKIYQDNIDHFQKIDSGWLEGEVKLDEKGLSEITYQHILDAIQELEQPFTIQELAKCSQFSHVSVRKYIAYMEEKGLLTSQQIYTKVGRPYKVYKLIKKT
3CNB Chain:A ((67-188))
-SILIIEDDKEFADMLTQFLENLFPYAKIKIAYNPFDAGDLLHTVKPDVVMLDLMMVGMDGFSICHRIKSTPATANIIVIAMTGALTDDNVSRIVALGAETCFGKPLNFTLLEKTIKQLVEQKK--------------------------------------------------------------------------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
3CNB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96861 for 908 contacts (-106.7/contact) +
2D Compatibility (PS) -13171 + (NN) -7648 + (LL) 8640
1D Compatibility (HY) -10400 + (ID) 1450
Total energy: -120890.0 ( -133.14 by residue)
QMean score : 0.564
(partial model without unconserved sides chains):
PDB file :
Tito_3CNB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3CNB-query.scw
PDB file :
Tito_Scwrl_3CNB.pdb
: