Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMEETTKIPQATAKRLPLYHRYLKYLDESGKERVSSAELSEAVKVDSATIRRDFSYFGALGKKGYGYNVSYILDFFSKTLSQDKQTNVALIGVGNLGTALLHYNFMKNNNIKIVAAFDVDPAKVGSVQQDIPIYHLNDMEEIVRENGVEVVILTVPADEAQVTVDRLIEADVKGILNFTPARISVPKQVRVHHIDLTTELQTLIYFLENYPAKTE
3WGH Chain:A ((4-206))
----KTIVSMAVIRRLPRYHRYLEELLKNDVKRISSRELSEKMGVTASQIRQDLNNF-------YGYNVEELYNNLTKILGLDKTYNTIIIGAGNLGQAIANYTSFEKSGFNLKGIFDINPRLFGLKIRDVEVMDVETVEDFIARNKIDIGILCIPKDNAQYTADRLVRAGIKAIWNFLPIDLKVPDDVILENVHLSDSLFTVSYRL--------
General information:
TITO was launched using:
RESULT:
Template:
3WGH.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -132673 for 1350 contacts (-98.3/contact) +
2D Compatibility (PS) -21018 + (NN) -5107 + (LL) 896
1D Compatibility (HY) -18000 + (ID) 3600
Total energy: -179502.0 ( -132.96 by residue)
QMean score : 0.616
(partial model without unconserved sides chains):
PDB file :
Tito_3WGH.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WGH-query.scw
PDB file :
Tito_Scwrl_3WGH.pdb
: