Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRPLLFSALLLLSGHTQASEWNDSQAVDKLFGAAGVKGTFVLYDVQRQRYVGHDRERAETRFVPASTYKVANSLIGLSTGAVRSADEVLPYGGKPQRFKAWEHDMSLRDAIKASNVPVYQELARRIGLERMRANVSRLGYGNAEIGQVVDNFWLVGPLKISAMEQTRFLLRLAQGELPFPAPVQSTVRAMTLLESGPGWELHGKTGWC---FDCTPELGWWVGWVKRNERLYGFALNIDMPGGEADIGKRVELGKASLKALGILP
2WGI Chain:A ((5-246))
---------------TENTSWN------KEFSAEAVNGVFVLCKSSSKSCATNDLARASKEYLPASTFKIPNAIIGLETGVIKNEHQVFKWDGKPRAMKQWERDLTLRGAIQVSAVPVFQQIAREVGEVRMQKYLKKFSYGN----------ALEGQLRISAVNQVEFLESLYLNKLSASKENQLIVKEALVTEAAPEYLVHSKTGFSGVGTESNPGVAWWVGWVEKETEVYFFAFNMDID-NESKLPLRKSIPTKIMESEGII-
General information:
TITO was launched using:
RESULT:
Template:
2WGI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -109170 for 1802 contacts (-60.6/contact) +
2D Compatibility (PS) -24730 + (NN) -10734 + (LL) 2040
1D Compatibility (HY) -18800 + (ID) 4250
Total energy: -165644.0 ( -91.92 by residue)
QMean score : 0.524
(partial model without unconserved sides chains):
PDB file :
Tito_2WGI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WGI-query.scw
PDB file :
Tito_Scwrl_2WGI.pdb
: