Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGQY--DITGKACIMGILNVTPDSFSDGGSYTTIDSALNQVGEMLEQGVAIVDIGGESTRPGAVFVTAEEEIKRVVPMIKAI-REVYPDLLLSIDTYKTEVAQAALDAGVHILNDVWSGLYDGKMLSLAAERNVPIILMHNQEEAVYQDIKKEVCEFLLERAERALEAGVSKDNIWIDPGFGFAKTEEQNLELLKGLEQVCDLGYPVLFGISRKRTVNYLLGGNREVTERDMGTAALSAWAIAKGCQIVRVHNVEVNKDIVTVISQLV
4DAI Chain:B ((27-279))
LRCGEYTLNLNEKTLIMGILN------SDGGSYNEVDAAVRHAKEMRDEGAHIIDIG-----------SVEEEIKRVVPMIQAVSKEV--KLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVL--DLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMI
General information:
TITO was launched using:
RESULT:
Template:
4DAI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -173634 for 1959 contacts (-88.6/contact) +
2D Compatibility (PS) -26141 + (NN) -13849 + (LL) 144
1D Compatibility (HY) -22000 + (ID) 5850
Total energy: -241330.0 ( -123.19 by residue)
QMean score : 0.584
(partial model without unconserved sides chains):
PDB file :
Tito_4DAI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4DAI-query.scw
PDB file :
Tito_Scwrl_4DAI.pdb
: