Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMEETTKIPQATAKRLPLYHRYLKYLDESGKERVSSAELSEAVKVDSATIRRDFSYFGALGKKGYGYNVSYILDFFSKTLSQDKQTNVALIGVGNLGTALLHYNFMKNNNIKIVAAFDVDPAKVGSVQQDIPIYHLNDMEEIVRENGVEVVILTVPADEAQVTVDRLIEADVKGILNFTPARISVPKQVRVHHIDLTTELQTLIYFLENYPAKTE
3WGI Chain:B ((4-206))
----KTIVSMAVIRRLPRYHRYLEELLKNDVKRISSRELSEKMGVTASQIRQDLNNFGGFGQQGYGYNVEELYNNLTKILGLDKTYNTIIIGAGNLGQAIANYTSFEKSGFNLKGIFDINPRLFGLKIRDVEVMDVETVEDFIARNKIDIGILCIPKDNAQYTADRLVRAGIKAIWNFLPIDLKVPDDVILENVHLSDSLFTVSYRL--------
General information:
TITO was launched using:
RESULT:
Template:
3WGI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -138793 for 1456 contacts (-95.3/contact) +
2D Compatibility (PS) -21925 + (NN) -5833 + (LL) 964
1D Compatibility (HY) -18400 + (ID) 3750
Total energy: -187737.0 ( -128.94 by residue)
QMean score : 0.633
(partial model without unconserved sides chains):
PDB file :
Tito_3WGI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WGI-query.scw
PDB file :
Tito_Scwrl_3WGI.pdb
: