Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MDLARQIAMELLDIQAVYLRPQQPFTWASGVKSPIYTDNRVTLSYPETRT----LIENGFVKQIQKHFPNVDIIAGTATAGIPHGAIIADKMNLPFAYIRSKAKDHGVGNQIEGRVYSGQKMVIIEDLISTGGSVLEAVTAAQSQGIEVLGVVAIFTYQLAKAE-QAFREADIPLVTLTDYNQLIKVAKVNGYITADQLVLLKKFKEDQMNWQS
4OHC Chain:F ((25-226))
----------LLEVQAVHFNAEKPFIFTSGWASPVYIDCRKLISYPRVRRALMEMAETTITRDIG--FEQIDAVAGGETAGIPFAAWIADRMMVPMQYVRKKPKGFGRNAQIEGHLEEGSRVLLVEDLTTDSRSKINFVNALRTAGATVNHCFVLFHYNIFKESVSVLKDIDVDLHALATWWDVLRVAKASGYFETKTLDEVEKFLHAPAEWSA
General information:
TITO was launched using:
RESULT:
Template:
4OHC.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138393 for 1517 contacts (-91.2/contact) +
2D Compatibility (PS) -21052 + (NN) -7605 + (LL) 1440
1D Compatibility (HY) -16000 + (ID) 3400
Total energy: -185010.0 ( -121.96 by residue)
QMean score : 0.463
(partial model without unconserved sides chains):
PDB file :
Tito_4OHC.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4OHC-query.scw
PDB file :
Tito_Scwrl_4OHC.pdb
: