Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMEETTKIPQATAKRLPLYHRYLKYLDESGKERVSSAELSEAVKVDSATIRRDFSYFGALGKKGYGYNVSYILDFFSKTLSQDKQTNVALIGVGNLGTALLHYNFMKNNNIKIVAAFDVDPAKVGSVQQDIPIYHLNDMEEIVRENGVEVVILTVPADEAQVTVDRLIEADVKGILNFTPARISVPKQVRVHHIDLTTELQTLIYFLENYPAKTE
3WGG Chain:B ((4-206))
----KTIVSMAVIRRLPRYHRYLEELLKNDVKRISSRELSEKMGVTASQIRQDLNNFGGFGQQGYGYNVEELYNNLTKILGLDKTYNTIIIGAGNLGQAIANYTSFEKSGFNLKGIFDINPRLFGLKIRDVEVMDVETVEDFIARNKIDIGILCIPKDNAQYTADRLVRAGIKAIWNFLPIDLKVPDDVILENVHLSDSLFTVSYRL--------
General information:
TITO was launched using:
RESULT:
Template:
3WGG.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137721 for 1448 contacts (-95.1/contact) +
2D Compatibility (PS) -21854 + (NN) -6411 + (LL) 964
1D Compatibility (HY) -18400 + (ID) 3750
Total energy: -187172.0 ( -129.26 by residue)
QMean score : 0.624
(partial model without unconserved sides chains):
PDB file :
Tito_3WGG.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WGG-query.scw
PDB file :
Tito_Scwrl_3WGG.pdb
: