Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MMEETTKIPQATAKRLPLYHRYLKYLDESGKERVSSAELSEAVKVDSATIRRDFSYFGALGKKGYGYNVSYILDFFSKTLSQDKQTNVALIGVGNLGTALLHYNFMKNNNIKIVAAFDVDPAKVG-SVQQDIPIYHLNDMEEIVRENGVEVVILTVPADEAQVTVDRLIEADVKGILNFTPARISVPKQVRVHHIDLTTELQTLIYFLENYPAKTE
3WG9 Chain:A ((4-211))
----KTIVSMAVIRRLPRYHRYLEELLKNDVKRISSRELSEKMGVTASQIRQDLNNFG-----GYGYNVEELYNNLTKILGLDKTYNTIIIGAGNLGQAIANYTSFEKSGFNLKGIFDINPRLFGLKIR-DVEVMDVETVEDFIARNKIDIGILCIPKDNAQYTADRLVRAGIKAIWNFLPIDLKVPDDVILENVHLSDSLFTVSYRLNEEEL---
General information:
TITO was launched using:
RESULT:
Template:
3WG9.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137959 for 1407 contacts (-98.1/contact) +
2D Compatibility (PS) -22020 + (NN) -7538 + (LL) 1240
1D Compatibility (HY) -18400 + (ID) 3700
Total energy: -188377.0 ( -133.89 by residue)
QMean score : 0.663
(partial model without unconserved sides chains):
PDB file :
Tito_3WG9.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3WG9-query.scw
PDB file :
Tito_Scwrl_3WG9.pdb
: