Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MIGITQAEAVLTIELQRPERRNALNSQLVEELTQAIRKAG-DGSARAIVLTGQGTAFCAGADLSGDAFAADYPDRLIELHKAMDASPM-----PVVGAINGPAIGAGLQLAMQCDLRVVAPDAFFQFPTSKYGLALDNWSIRRLSSLVGHGRARAMLLSAEKLTAEIALHTGMANRIGT----LADAQAWAAEIARLAPLAIQHAKRVLND--DGAIEEAWPAHKELFDKAWGSQDVIEAQVARMEKRPPKFQGA
2QQ3 Chain:B ((7-257))
-IAARQEGAVGIIELARPDVLNALSRQMVAEIVAAVEAFDRNEKVRVIVLTGRGRAFAAGADIQ--EMAKDDPIRLEWLNQFADWDRLSIVKTPMIAAVNGLALGGGFELALSCDLIVASSAAEFGFPEVNLGVMPGAGGTQRLTKLIGPKRALEWLWTGARMSAKEAEQLGIVNRVVSPELLMEETMRLAGRLAEQPPLALRLIKEAVQKAVDYPLYEGMQFERKNFYLLFASEDQKEGMAAFLEKRKPRFQG-
General information:
TITO was launched using:
RESULT:
Template:
2QQ3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -128662 for 1872 contacts (-68.7/contact) +
2D Compatibility (PS) -26698 + (NN) -14142 + (LL) 104
1D Compatibility (HY) -13600 + (ID) 4300
Total energy: -187298.0 ( -100.05 by residue)
QMean score : 0.495
(partial model without unconserved sides chains):
PDB file :
Tito_2QQ3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2QQ3-query.scw
PDB file :
Tito_Scwrl_2QQ3.pdb
: