Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MLVLNNLQKKFTNSKMVLNNVNAKFRSGSINCIVGVNGAGKTTLLNIISSILMPTKGDVYLNSESIFENSTLKKEIFYTPVNPFFYENLSAKDNLYLICSLYNRKI--DQITIEKTIKDVGLNIEDLNIPVYNFSSGMKQKLNFASMLLVDSNVLLLDEPFNALDHVAQKNFTRILKGLVSK-EKIIIFTSHLPNTILELSENIYLLKDGCFTDKRKAQSFNQTTLETWLLESQKEVIPYEEK
2IT1 Chain:A ((4-222))
-IKLENIVKKFG-NFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHID-KLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVY---------------------
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) -128555 for 1739 contacts (-73.9/contact) +
2D Compatibility (PS) -22672 + (NN) -4955 + (LL) 2380
1D Compatibility (HY) -10400 + (ID) 2650
Total energy: -166852.0 ( -95.95 by residue)
QMean score : 0.499
(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
: