Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSTDYNINLTDSALKKIHSLVEQEEDKSSILRVAVSGGGCSGFKYNFLMDQIDKNLSLSDDDDDDEFDDEDDDDDESEDYRSRSSFSRKSKDIVINDKDGNPVLMVDNCSVKFLNNSIIDYTENLSGSGFQVKNALAKSQCGCGNSFSV
2D2A Chain:A ((17-122))
-----GLTLTPAAAIHIRELVAKQPGMVGV-RLGVKQTGCAGFGY--VLD------SVSEPDKDDLLFEHDGAK-----------------------------LFVPLQAMPFIDGTEVDFVREGLNQIFKFHNPKAQNECGCGESFGV
General information:
TITO was launched using:
RESULT:
Template:
2D2A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -3722 for 684 contacts (-5.4/contact) +
2D Compatibility (PS) -11243 + (NN) -5486 + (LL) 1580
1D Compatibility (HY) -9600 + (ID) 1700
Total energy: -30171.0 ( -44.11 by residue)
QMean score : 0.298
(partial model without unconserved sides chains):
PDB file :
Tito_2D2A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2D2A-query.scw
PDB file :
Tito_Scwrl_2D2A.pdb
: