Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGQY--DITGKACIMGILNVTPDSFSDGGSYTTIDSALNQVGEMLEQGVAIVDIGGESTRPGAVFVTAEEEIKRVVPMIKAI-REVYPDLLLSIDTYKTEVAQAALDAGVHILNDVWSGLYDGKMLSLAAERNVPIILMHNQEEAVYQDIKKEVCEFLLERAERALEAGVSKDNIWIDPGFGFAKTEEQNLELLKGLEQVCDLGYPVLFGISRKRTVNYLLGGNREVTERDMGTAALSAWAIAKGCQIVRVHNVEVNKDIVTVISQLV
3TYA Chain:A ((27-279))
LRCGEYTLNLNEKTLIMGILNVTP-----GGSYNEVDAAVRHAKEMRDEGAHIIDIGGEST----AKVSVEEEIKRVVPMIQAVSKEV--KLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVL--DLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMI
General information:
TITO was launched using:
RESULT:
Template:
3TYA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -170857 for 2030 contacts (-84.2/contact) +
2D Compatibility (PS) -26665 + (NN) -12872 + (LL) -536
1D Compatibility (HY) -22000 + (ID) 6150
Total energy: -239080.0 ( -117.77 by residue)
QMean score : 0.580
(partial model without unconserved sides chains):
PDB file :
Tito_3TYA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TYA-query.scw
PDB file :
Tito_Scwrl_3TYA.pdb
: