Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIHIEAKQGEIADKILLPGDPLRAKFIAENFLEDAVCFNTVRNMFGYTGTYKGHRVSVMGTGMGMPSISIYARELIVDYGVKTLIRVGTAGAINPDIHVRELVLAQAAATNSNIIRNDWPEFDFPQIADFKLLDKAYHIAKEMDITTHVGSVLSSDVFYSNQPDRNMALGKLGVHAIEMEAAALYYLAAQHNVNALAMMTISDNLNNPEEDTSAEERQTTFTDMMKVGLETLISE
1XE3 Chain:B ((15-243))
----IEAKQGEIAESILLPGDPLRAKYIAETFLEDVTCYNNVRGMLGFTGTYKGKRVSVQGTGMGVPSISIYVNELIQSYGVKNLIRVGTCGAIQKDVKVRDVIIAMTACTDSNMNRLTFPGFDFAPAANFDLLKKAYDAGTEKGLHVRVGNVLTADVFYRESMDMVKKLGDYGVLAVEMETTALYTLAAKYGVNALSVLTVSDHIFTGEETTS-EERQTTFNEMIEIALDAAI--
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) -156026 for 2003 contacts (-77.9/contact) +
2D Compatibility (PS) -24693 + (NN) -9761 + (LL) 648
1D Compatibility (HY) -24800 + (ID) 6750
Total energy: -221382.0 ( -110.53 by residue)
QMean score : 0.529
(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
: