Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIHIEAKQGEIADKILLPGDPLRAKFIAENFLEDAVCFNTVRNMFGYTGTYKGHRVSVMGTGMGMPSISIYARELIVDYGVKTLIRVGTAGAINPDIHVRELVLAQAAATNSNIIRNDWPEFDFPQIADFKLLDKAYHIAKEMDITTHVGSVLSSDVFYSNQPDRNMALGKLGVHAIEMEAAALYYLAAQHNVNALAMMTISDNLNNPEEDTSAEERQTTFTDMMKVGLETLISE
2AC7 Chain:A ((2-232))
-SVHIEAKQGEIAESILLPGDPLRAKYIAETFLEDVTCYNNVRGMLGFTGTYKGKRVSVQGTGMGVPSISIYVNELIQSYGVKNLIRVGTCGAIQKDVKVRDVIIAMTACTDSNMNRLTFPGFDFAPAANFDLLKKAYDAGTEKGLHVRVGNVLTADVFYRESMDMVKKLGDYGVLAVEMETTALYTLAAKYGVNALSVLTVSDHI------------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) -178396 for 1993 contacts (-89.5/contact) +
2D Compatibility (PS) -23566 + (NN) -7532 + (LL) 796
1D Compatibility (HY) -24800 + (ID) 6450
Total energy: -239948.0 ( -120.40 by residue)
QMean score : 0.550
(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
: