Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLVLNNLQKKFTNSKMVLNNVNAKFRSGSINCIVGVNGAGKTTLLNIISSILMPTKGDVYLNSESIFENSTLKKEIFYTPVNPFFYENLSAKDNLYLICSLYNRKIDQITIEKTIKDVG--LNIED-LNIPVYNFSSGMKQKLNFASMLLVDSNVLLLDEPFNALDHVAQKNFTRILKGLVSKEKI-IIFTSHLPNTILELSENIYLLKDGCFTDKRKAQSFNQTTLETWLLESQKEVIPYEEK
2IT1 Chain:A ((6-210))
---LENIVKKFGNF-TALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLEL--RKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREG---------------------------------
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) -133290 for 1552 contacts (-85.9/contact) +
2D Compatibility (PS) -21104 + (NN) -3984 + (LL) 3380
1D Compatibility (HY) -12400 + (ID) 3050
Total energy: -170448.0 ( -109.82 by residue)
QMean score : 0.514
(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
: