Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGQY--DITGKACIMGILNVTPDSFSDGGSYTTIDSALNQVGEMLEQGVAIVDIGGESTRPGAVFVTAEEEIKRVVPMIKAI-REVYPDLLLSIDTYKTEVAQAALDAGVHILNDVWSGLYDGKMLSLAAERNVPIILMHNQEEAVYQDIKKEVCEFLLERAERALEAGVSKDNIWIDPGFGFAKTEEQNLELLKGLEQVCDLGYPVLFGISRKRTVNYLLGGNREVTERDMGTAALSAWAIAKGCQIVRVHNVEVNKDIVTVISQLV
3H2A Chain:A ((27-279))
LRCGEYTLNLNEKTLIMGILNVTPDSFS--GSYNEVDAAVRHAKEMRDEGAHIIDIGG----------SVEEEIKRVVPMIQAVSKEV--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) -176760 for 2036 contacts (-86.8/contact) +
2D Compatibility (PS) -26734 + (NN) -15154 + (LL) -64
1D Compatibility (HY) -22800 + (ID) 6100
Total energy: -247612.0 ( -121.62 by residue)
QMean score : 0.588
(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
: