Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSASEFSRAELAAAFEKFEKTVARAAATRDWDCWVQHYTPDVEYIEHAAGIMRGRQRVRAWIQETMTTFPGSHMVAFPSLWSVIDESTGRIICELDNPMLDPGDGSVISATNISIITYAGNGQWCRQEDIYNPLRFLR--AAMKWCRKAQELGTLDEDAARWMRRHGGP
2CHC Chain:A ((-1-167))
AMGPVDEQWIEILRIQALCARYCLTINTQDGEGWAGCFTEDGAFEFDG-WVIRGRPALREYADAHARVVRGRHLTTDLLYEVDGDVATGRSASVVTLATAAGYKILGSGEYQDRLIKQDGQWRIAYRRLRNDRLVSDPSVAVNVADADVAAVVGHLLAAARRLGTQMSD
General information:
TITO was launched using:
RESULT:
Template:
2CHC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -29877 for 1218 contacts (-24.5/contact) +
2D Compatibility (PS) -18341 + (NN) -9744 + (LL) 144
1D Compatibility (HY) 5600 + (ID) 1100
Total energy: -53318.0 ( -43.78 by residue)
QMean score : 0.270
(partial model without unconserved sides chains):
PDB file :
Tito_2CHC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2CHC-query.scw
PDB file :
Tito_Scwrl_2CHC.pdb
: