Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSVHIEAKQGEIAETILLPGDPLRAKYIAETFLEDVVLFNQVRGMLGFTGTYKGEKVSVMGTGMGIPSISIYVNELIQSYDVKNLIRVGTMGGIQADVKVRDVVIAQAASTDSQINRNTFAGVDFAPVADFSLLKKAYDAGIEKGLSLKVGNVFSADRFYNDQLDK-QQLADYGVLGIEMEAAALYTLAQKYGRRALAILTVSDHIFTGEETSAEERQTTFNDMIVVALEAAIK
1XE3 Chain:A ((15-242))
----IEAKQGEIAESILLPGDPLRAKYIAETFLEDVTCYNNVRGMLGFTGTYKGKRVSVQGTGMGVPSISIYVNELIQSYGVKNLIRVGTCGAIQKDVKVRDVIIAMTACTDSNMNRLTFPGFDFAPAANFDLLKKAYDAGTEKGLHVRVGNVLTADVFYRESMDMVKKLGDYGVLAVEMETTALYTLAAKYGVNALSVLTVSDHIFTGEETTSEERQTTFNEMIEIALDAA--
General information:
TITO was launched using:
RESULT:
Template:
1XE3.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -164317 for 1983 contacts (-82.9/contact) +
2D Compatibility (PS) -23901 + (NN) -4591 + (LL) 684
1D Compatibility (HY) -28800 + (ID) 8600
Total energy: -229525.0 ( -115.75 by residue)
QMean score : 0.582
(partial model without unconserved sides chains):
PDB file :
Tito_1XE3.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1XE3-query.scw
PDB file :
Tito_Scwrl_1XE3.pdb
: