Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTILEIKDLHVSVENPAEADHEIPILRGVDLTVKSGETHALMGPNGSGKSTLSYAIAGHPKYHVTSGTITLDGADVLAMSIDERARAGLFLAMQYPVEVPGVSMSNFLRSAATAIRGEPPKLRHWVKEVKAAMAALDIDPAFAERSVNEGFSGGEKKRHEILQLELLKPKIAILDETDSGLDVDALRVVSEGVNRYAESQHGGILLITHYTRILRYIHPEYVHVFVGGRIVESGGSELADELDQNGYVRFSPASGRYPHQPAPTGA
2IT1 Chain:A ((1-222))
MVEIKLENIVKKFG-------NFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYK--PTSGKIYFDEKDVTELPP---KDRNVGLVFQNWALYPHMTVYKNIAFPLELRK---APREEIDKKVREVAKMLHIDK-LLNRYP-WQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAM-ADRIAVIREGEILQVGTPDEVY--------------------------
General information:
TITO was launched using:
RESULT:
Template:
2IT1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -137734 for 1818 contacts (-75.8/contact) +
2D Compatibility (PS) -24536 + (NN) -13454 + (LL) 772
1D Compatibility (HY) -8400 + (ID) 2900
Total energy: -186252.0 ( -102.45 by residue)
QMean score : 0.525
(partial model without unconserved sides chains):
PDB file :
Tito_2IT1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2IT1-query.scw
PDB file :
Tito_Scwrl_2IT1.pdb
: