Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MGVLTIEHLTKKIGNKTILEDVSFKLKRGQIVGLVGANGAGKTTLMKVILGYSSFQSGNFNVINSK-----DSKSNIGALIENPGIYPFMSGYENLKLLNESKN------TQDIDKIVSQLHMDEYIHKKAKTYSLGMKQKLGIAIAFLNEPQFIILDEPMNGLDPKAVRDVRELIVQKS-QEGVTFLISSHILSELVKITNSILIINKGKIVTETSEEELKQFKDNDLENVLLEIIEREDQA
2IT1 Chain:A ((1-225))
MVEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKP------------------
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) -121193 for 1717 contacts (-70.6/contact) +
2D Compatibility (PS) -22765 + (NN) -8123 + (LL) 1520
1D Compatibility (HY) -14800 + (ID) 2950
Total energy: -168311.0 ( -98.03 by residue)
QMean score : 0.600
(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
: