Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MSIHIEAKQGEIADKILLPGDPLRAKFIAENFLEDAVCFNTVRNMFGYTGTYKGHRVSVMGTGMGMPSISIYARELIVDYGVKTLIRVGTAGAINPDIHVRELVLAQAAATNSNIIRNDWPEFDFPQIADFKLLDKAYHIAKEMDITTHVGSVLSSDVFYSNQPDRNMALGKLGVHAIEMEAAALYYLAAQHNVNALAMMTISDNLNNPEEDTSAEERQTTFTDMMKVGLETLISE
4D8Y Chain:E ((21-251))
MSVHIGAEKGQIADTVLLPGDPLRAKFIAETYLENVECYNEVRGMYGFTGTYKGKKISVQGTGMGVPSISIYVNELIQSYDVQNLIRVGSCGAIRKDVKVRDVILAMTSSTDSQMNRVAFGSVDFAPCADFELLKNAYDAAKDKGVPVTVGSVFTADQFY-NDDSQIEKLAKYGVLGVEMETTALYTLAAKHGRKALSILTVSDHVLTGEE-TTAEERQTTFHDMIDVALHSVS--
General information:
TITO was launched using:
RESULT:
Template:
4D8Y.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -155790 for 2034 contacts (-76.6/contact) +
2D Compatibility (PS) -24977 + (NN) -11261 + (LL) 72
1D Compatibility (HY) -25200 + (ID) 6200
Total energy: -223356.0 ( -109.81 by residue)
QMean score : 0.526
(partial model without unconserved sides chains):
PDB file :
Tito_4D8Y.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4D8Y-query.scw
PDB file :
Tito_Scwrl_4D8Y.pdb
: