Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIGITQAEAVLTIELQRPERRNALNSQLVEELTQAIRKAGDGSARAIVLTGQGTAFCAGADLSGDAFAADYPDRLIELHKAMDASPMPVVGAINGPAIGAGLQLAMQCDLRVVAPDAFFQFPTSKYGLALDNWSIRRLSSLVGHGRARAMLLSAEKLTAEIALHTGMANRIGTLADAQAWAAEIARLAPLAIQHAKRVLNDDGAIEEAWPAHKELFDKAWGSQDVIEAQVARMEKRPPKFQGA
3HE2 Chain:A ((22-264))
MIGITQAEAVLTIELQRPERRNALNSQLVEELTQAIRKA---SARAIVLTGQGTAFCAGADLSGDAFAADYPDRLIELHKAMDASPMPVVGAINGPAIGAGLQLAMQCDLRVVAPDAFFQFPTSKYGLALDNWSIRRLSSLVGHGRARAMLLSAEKLTAEIALHTGMANRIGTLADAQAWAAEIARLAPLAIQHAKRVLNDDGAIEEAWPAHKELFDKAWGSQDVIEAQVARMEKRPPKFQGA
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) -144851 for 1935 contacts (-74.9/contact) +
2D Compatibility (PS) -26586 + (NN) -16400 + (LL) -420
1D Compatibility (HY) -29200 + (ID) 12000
Total energy: -229457.0 ( -118.58 by residue)
QMean score : 0.524
(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
: