Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIGITQAEAVLTIELQRPERRNALNSQLVEELTQAIRKAGDGSARAIVLTGQGTAFCAGADLSGDAFAADYPDRLIELHKAMDASPMPVVGAINGPAIGAGLQLAMQCDLRVVAPDAFFQFPTSKYGLALDNWSIRRLSSLVGHGRARAMLLSAEKLTAEIALHTGMANRIGTLADAQAWAAEIARLAPLAIQHAKRVLNDDGAIEEAWPAHKELFDKAWGSQDVIEAQVARMEKRPPKFQGA
3HE2 Chain:C ((22-264))
MIGITQAEAVLTIELQRPERRNALNSQLVEELTQAIRKA---SARAIVLTGQGTAFCAGADLS--AFAADYPDRLIELHKAMDASPMPVVGAINGPAIGAGLQLAMQCDLRVVAPDAFFQFPTSKYGLALDNWSIRRLSSLVGHGRARAMLLSAEKLTAEIALHTGMANRIGTLADAQAWAAEIARLAPLAIQHAKRVLNDDGAIEEAWPAHKELFDKAWGSQDVIEAQVARMEKRPPKFQGA
General information:
TITO was launched using:
RESULT:
Template:
3HE2.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -151270 for 1931 contacts (-78.3/contact) +
2D Compatibility (PS) -26554 + (NN) -18303 + (LL) -668
1D Compatibility (HY) -29200 + (ID) 11900
Total energy: -237895.0 ( -123.20 by residue)
QMean score : 0.504
(partial model without unconserved sides chains):
PDB file :
Tito_3HE2.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3HE2-query.scw
PDB file :
Tito_Scwrl_3HE2.pdb
: