Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKIGQY--DITGKACIMGILNVTPDSFSDGGSYTTIDSALNQVGEMLEQGVAIVDIGGESTRPGAVFVTAEEEIKRVVPMIKAI-REVYPDLLLSIDTYKTEVAQAALDAGVHILNDVWSGLYDGKMLSLAAERNVPIILMHNQEEAVYQDIKKEVCEFLLERAERALEAGVSKDNIWIDPGFGFAKTEEQNLELLKGLEQVCDLGYPVLFGISRKRTVNYLLGGNREVTERDMGTAALSAWAIAKGCQIVRVHNVEVNKDIVTVISQLV
3TYB Chain:A ((27-279))
LRCGEYTLNLNEKTLIMGILNVTP---SDGGSYNEVDAAVRHAKEMRDEGAHIIDIGGEST------VSVEEEIKRVVPMIQAVSKEV--KLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVL--DLPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMI
General information:
TITO was launched using:
RESULT:
Template:
3TYB.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164522 for 1990 contacts (-82.7/contact) +
2D Compatibility (PS) -27115 + (NN) -15500 + (LL) -108
1D Compatibility (HY) -22800 + (ID) 6250
Total energy: -236295.0 ( -118.74 by residue)
QMean score : 0.576
(partial model without unconserved sides chains):
PDB file :
Tito_3TYB.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3TYB-query.scw
PDB file :
Tito_Scwrl_3TYB.pdb
: