Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSTLLALDTSTEACSVALLHEGRALSHYEVIPRLHAQRLLPMVRDLLDEAGVALSAVDAIAFGRGPGAFTGVRIAIGVVQGLAFALQRPVLAVSDLAILAQRAYREQGAERVAAAIDARMDEVYWGCYQLQQ-GEMRLAGSEAVLPPERVAVPWDAAAADWFGAGTGWG-YVERMPQRPVALDAS--LLPHAEDLLSLAGFAWARGEGVEAEQALPVYLRDNVATPKKAP
3R6M Chain:A ((4-213))
---ILAIDTATENCSVALLVNDQVISRSEVAPRDHTKKVLPMVDEVLKEAGLTLQDLDALAFGRGPGSFTGVRIGIGIAQGLAFGAELPMIGVSTLAAMAQASYRLHGATDVAVAIDARMSEVYWARYSRQENGEWIGVDEECVIPPARLAEEAQADSKTWTTAGTGWSAYQEELAGLPFNTADSEVLYPDSQDIVILAKQELEKGNTVPVEE-----------------
General information:
TITO was launched using:
RESULT:
Template:
3R6M.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -162617 for 1780 contacts (-91.4/contact) +
2D Compatibility (PS) -21528 + (NN) -2778 + (LL) 1196
1D Compatibility (HY) -16400 + (ID) 5050
Total energy: -207177.0 ( -116.39 by residue)
QMean score : 0.341
(partial model without unconserved sides chains):
PDB file :
Tito_3R6M.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3R6M-query.scw
PDB file :
Tito_Scwrl_3R6M.pdb
: