Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGQY--DITGKACIMGILNVTPDSFSDGGSYTTIDSALNQVGEMLEQGVAIVDIGGESTRPGAVFVTAEEEIKRVVPMIKAI-REVYPDLLLSIDTYKTEVAQAALDAGVHILNDVWSGLYDGKMLSLAAERNVPIILMHNQEEAVYQDIKKEVCEFLLERAERALEAGVSKDNIWIDPGFGFAKTEEQNLELLKGLEQVCDLGYPVLFGISRKRTVNYLLGGNREVTERDMGTAALSAWAIAKGCQIVRVHNVEVNKDIVTVISQLV
3H2C Chain:A ((27-279))
LRCGEYTLNLNEKTLIMGILN---------GSYNEVDAAVRHAKEMRDEGAHIIDIG-ESTR------SVEEEIKRVVPMIQAVSKEV--KLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVL--DLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMI
General information:
TITO was launched using:
RESULT:
Template:
3H2C.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -177961 for 1950 contacts (-91.3/contact) +
2D Compatibility (PS) -26036 + (NN) -11144 + (LL) -360
1D Compatibility (HY) -22000 + (ID) 5900
Total energy: -243401.0 ( -124.82 by residue)
QMean score : 0.585
(partial model without unconserved sides chains):
PDB file :
Tito_3H2C.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3H2C-query.scw
PDB file :
Tito_Scwrl_3H2C.pdb
: