Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGQY--DITGKACIMGILNVTPDSFSDGGSYTTIDSALNQVGEMLEQGVAIVDIGGESTRPGAVFVTAEEEIKRVVPMIKAI-REVYPDLLLSIDTYKTEVAQAALDAGVHILNDVWSGLYDGKMLSLAAERNVPIILMHNQEEAVYQDIKKEVCEFLLERAERALEAGVSKDNIWIDPGFGFAKTEEQNLELLKGLEQVCDLGYPVLFGISRKRTVNYLLGGNREVTERDMGTAALSAWAIAKGCQIVRVHNVEVNKDIVTVISQLV
3H2A Chain:B ((27-279))
LRCGEYTLNLNEKTLIMGILNVTP-----GGSYNEVDAAVRHAKEMRDEGAHIIDIGGEST------VSVEEEIKRVVPMIQAVSKEV--KLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVL--DLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMI
General information:
TITO was launched using:
RESULT:
Template:
3H2A.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -176727 for 2069 contacts (-85.4/contact) +
2D Compatibility (PS) -26815 + (NN) -14874 + (LL) -212
1D Compatibility (HY) -22800 + (ID) 6150
Total energy: -247578.0 ( -119.66 by residue)
QMean score : 0.615
(partial model without unconserved sides chains):
PDB file :
Tito_3H2A.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H2A-query.scw
PDB file :
Tito_Scwrl_3H2A.pdb
: