Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLEFILKIQAKDSKGLVSAISATIANKGYNIVKNDEFVDPLKQRFFMRLKIQKEM-KPLNTEIKEQEERSLKTALFKALENFSELLIEVIL-THKKNIILLATKESHCLGDLLLRVYGGELNAQILGVISNHEILRPLVEKFDIPYFYAPCVD--QILHEKEVLATIKDLELKHKVSADLLVLAKYMRILSHDFTKRYENQILNIHHSFLPAFIGANPYQQAFERGVKVIGATAHFVNESLDAGPIILQDTLPINHNYSVEKMRLAGKDIEKLVLARALKLVLEDRVFVHENKTVVF
3O1L Chain:A ((21-301))
-RTFRLVIACPDRVGIVAKVSNFLASHNGWITEASHHSDNLSGWFFMRHEIRADTLP--------FDLDGFREAFTPIAEEF-SMDWRITDSAQKKRVVLMASRESHCLADLLHRWHSDELDCDIACVISNHQDLRSMVEWHDIPYYHVPVDPKDKEPAFAEVSRLVGH------HQADVVVLARYMQILPPQLCREYAHQVINIHHSFLPSFVGAKPYHQASLRGVKLIGATCHYVTEELDAGPIIEQDVVRVSHRDSIENMVRFGRDVEKMVLARGLRAHLEDRVLVHDNKTVVF
General information:
TITO was launched using:
RESULT:
Template:
3O1L.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -231576 for 2197 contacts (-105.4/contact) +
2D Compatibility (PS) -29559 + (NN) -6128 + (LL) 1292
1D Compatibility (HY) -21200 + (ID) 6150
Total energy: -293321.0 ( -133.51 by residue)
QMean score : 0.465
(partial model without unconserved sides chains):
PDB file :
Tito_3O1L.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3O1L-query.scw
PDB file :
Tito_Scwrl_3O1L.pdb
: