Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGQY--DITGKACIMGILNVTPDSFSDGGSYTTIDSALNQVGEMLEQGVAIVDIGGESTRPGAVFVTAEEEIKRVVPMIKAI-REVYPDLLLSIDTYKTEVAQAALDAGVHILNDVWSGLYDGKMLSLAAERNVPIILMHNQEEAVYQDIKKEVCEFLLERAERALEAGVSKDNIWIDPGFGFAKTEEQNLELLKGLEQVCDLGYPVLFGISRKRTVNYLLGGNREVTERDMGTAALSAWAIAKGCQIVRVHNVEVNKDIVTVISQLV
3H2O Chain:A ((27-279))
LRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGAHIIDIG---------KVSVEEEIKRVVPMIQAVSKEV--KLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVL--DLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMI
General information:
TITO was launched using:
RESULT:
Template:
3H2O.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -171015 for 1991 contacts (-85.9/contact) +
2D Compatibility (PS) -26569 + (NN) -10135 + (LL) -312
1D Compatibility (HY) -22800 + (ID) 6200
Total energy: -237031.0 ( -119.05 by residue)
QMean score : 0.523
(partial model without unconserved sides chains):
PDB file :
Tito_3H2O.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H2O-query.scw
PDB file :
Tito_Scwrl_3H2O.pdb
: