Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLRVENLSIRRGGKTVLEGLELELRPGEMLGVLGPNGAGKSTLLGALCGELEPAEGLVLLDERGLDDWPGVARAQRLAVLPQSSSLGFAFPVEAVVGFGRLPHSSGRERDVQIVAEALAAADASHLAGRSYLALSGGERQRVHLARVLAQLWPGEPG-QVLLLDEPTSALDPLHQHTTLQAVHDFARRGA-SVLVILHDLNLAARYCDRLLLLQNGRPHLLGTPEEVLRPEPLRAVFGLEVLVQRHPERGHPLIVAR
4G1U Chain:C ((11-265))
LLEASHLHYHVQQQALINDVSLHIASGEMVAIIGPNGAGKSTLLRLLTGYLSPSHGECHLLGQNLNSWQPKALARTRAVMRQYSELAFPFSVSEVIQMGRAPY--GGSQDRQALQQVMAQTDCLALAQRDYRVLSGGEQQRVQLARVLAQLWQPQPTPRWLFLDEPTSALDLYHQQHTLRLLRQLTRQEPLAVCCVLHDLNLAALYADRIMLLAQGKLVACGTPEEVLNAETLTQWYQADLGVSRHPESALPQIYLR
General information:
TITO was launched using:
RESULT:
Template:
4G1U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -190028 for 2018 contacts (-94.2/contact) +
2D Compatibility (PS) -27348 + (NN) -13512 + (LL) -56
1D Compatibility (HY) -22800 + (ID) 5650
Total energy: -259394.0 ( -128.54 by residue)
QMean score : 0.523
(partial model without unconserved sides chains):
PDB file :
Tito_4G1U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4G1U-query.scw
PDB file :
Tito_Scwrl_4G1U.pdb
: