Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLECENLSCIHNDKVLFKNLSFKAKPKSKVLITGPNGSGKTSLIRSLSGLLPPASGNIRYCKKDIYDDLKSYIPSMVYIGHKNACKDSLTVAQNIEFWAGIRN-----TKELIIAAICCLQLQPVFNIKYGELSAGWKRRVALARLLVSDASVWLVDEPFCNLDSATCELVLNLISVRSE-QNGIVIITGHSSTEQLCSFTTIDVCNFNSYS
2IT1 Chain:A ((3-206))
EIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTEL-PPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEIL
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) -151230 for 1570 contacts (-96.3/contact) +
2D Compatibility (PS) -21584 + (NN) -12340 + (LL) 176
1D Compatibility (HY) -7600 + (ID) 2600
Total energy: -195178.0 ( -124.32 by residue)
QMean score : 0.469
(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
: