Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSTLLALDTSTEACSVALLHEGRALSHYEVIPRLHAQRLLPMVRDLLDEAGVALSAVDAIAFGRGPGAFTGVRIAIGVVQGLAFALQRPVLAVSDLAILAQRAYREQGAERVAAAIDARMDEVYWGCYQLQQG-EMRLAGSEAVLPPERVAVPWDAAAADWFGAGTGWG-YVERMPQ-R-PVALDASLLPHAEDLLSLAGFAWARGEGVEAEQALPVYLRDNVATPKKAP
3R6M Chain:A ((2-210))
-AKILAIDTATENCSVALLVNDQVISRSEVAPRDHTKKVLPMVDEVLKEAGLTLQDLDALAFGRGPGSFTGVRIGIGIAQGLAFGAELPMIGVSTLAAMAQASYRLHGATDVAVAIDARMSEVYWARYSRQENGEWIGVDEECVIPPARLAEEAQADSKTWTTAGTGWSAYQEELAGLPFNTADSEVLYPDSQDIVILAKQELEKGNTVP--------------------
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) -156361 for 1771 contacts (-88.3/contact) +
2D Compatibility (PS) -21638 + (NN) -3113 + (LL) 1540
1D Compatibility (HY) -15600 + (ID) 4900
Total energy: -200072.0 ( -112.97 by residue)
QMean score : 0.369
(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
: