Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MALVEVEHLTGGYTKRPVLKDISFAIEEKQIVGLIGLNGAGKSTTIKHITGLMHPKQGTIKINNHQLVEDTETYRKQFSYIPETPVLYEELTLKEHLELTGMAYGISEEELHARMTPLLKEFRLEKKLNWFPAHFSKGMKQKVMIMSAFLIEPKLYIIDEPFVGLDPLGIQSLLNWMDEMR-SKGASILMSTHILATAEKYCDTFIIIHQGEIRAEGTLKDLQTNFEMPGASLDEIYIQLTKEEEADEDDI
2IT1 Chain:A ((1-225))
MVEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTEL-PPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKP-------------------------
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) -140628 for 1831 contacts (-76.8/contact) +
2D Compatibility (PS) -24047 + (NN) -7287 + (LL) 1820
1D Compatibility (HY) -13200 + (ID) 2700
Total energy: -186042.0 ( -101.61 by residue)
QMean score : 0.519
(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
: