Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIHIEAKQGEIADKILLPGDPLRAKFIAENFLEDAVCFNTVRNMFGYTGTYKGHRVSVMGTGMGMPSISIYARELIVDYGVKTLIRVGTAGAINPDIHVRELVLAQAAATNSNIIRNDWPEFDFPQIADFKLLDKAYHIAKEMDITTHVGSVLSSDVFYSNQPDRNMALGKLGVHAIEMEAAALYYLAAQHNVNALAMMTISDNLNNPEEDTSAEERQTTFTDMMKVGLETLISE
2AC7 Chain:B ((2-232))
-SVHIEAKQGEIAESILLPGDPLRAKYIAETFLEDVTCYNNVRGMLGFTGTYKGKRVSVQGTGMGVPSISIYVNELIQSYGVKNLIRVGTCGAIQKDVKVRDVIIAMTACTDSNMNRLTFPGFDFAPAANFDLLKKAYDAGTEKGLHVRVGNVLTADVFYRESMDMVKKLGDYGVLAVEMETTALYTLAAKYGVNALSVLTVSDHIF-----------QTTFNEMIEIALDAA---
General information:
TITO was launched using:
RESULT:
Template:
2AC7.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -173757 for 2003 contacts (-86.7/contact) +
2D Compatibility (PS) -23701 + (NN) -7771 + (LL) 876
1D Compatibility (HY) -24800 + (ID) 6450
Total energy: -235603.0 ( -117.63 by residue)
QMean score : 0.528
(partial model without unconserved sides chains):
PDB file :
Tito_2AC7.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2AC7-query.scw
PDB file :
Tito_Scwrl_2AC7.pdb
: