Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIHIEAKQGEIADKILLPGDPLRAKFIAENFLEDAVCFNTVRNMFGYTGTYKGHRVSVMGTGMGMPSISIYARELIVDYGVKTLIRVGTAGAINPDIHVRELVLAQAAATNSNIIRNDWPEFDFPQIADFKLLDKAYHIAKEMDITTHVGSVLSSDVFYSNQPDRNMALGKLGVHAIEMEAAALYYLAAQHNVNALAMMTISDNLNNPEEDTSAEERQTTFTDMMKVGLETLISE
1XE3 Chain:D ((15-244))
----IEAKQGEIAESILLPGDPLRAKYIAETFLEDVTCYNNVRGMLGFTGTYKGKRVSVQGTGMGVPSISIYVNELIQSYGVKNLIRVGTCGAIQKDVKVRDVIIAMTACTDSNMNRLTFPGFDFAPAANFDLLKKAYDAGTEKGLHVRVGNVLTADVFYRESMDMVKKLGDYGVLAVEMETTALYTLAAKYGVNALSVLTVSDHIFTGEETTS-EERQTTFNEMIEIALDAAIQ-
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) -155571 for 2048 contacts (-76.0/contact) +
2D Compatibility (PS) -24782 + (NN) -9725 + (LL) 676
1D Compatibility (HY) -24800 + (ID) 6750
Total energy: -220952.0 ( -107.89 by residue)
QMean score : 0.542
(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
: