Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSLVEIDGATLRYGALTALSGLDLRLEPGEVLGLLGHNGAGKTTTIKLVLGLLAPSEGRVRVLGHDARSLEAR-RQLGYLPENVTFYPQLSGAETLRHFARLKGVAPAEAARLLEQVGLGHAARRRLKTY----SKGMRQRLGLAQALLGEPRLLLLDEPTVGLDPLATVELYQLLDRLRGQ-GTGIVLCSHVLPGVETHIDRAAILAGGRLQVAGSLAELRRKAALPTRVRLASPHNPQWLERWHRAGLAARRLDDQRIEVLLDDAERDGVLEALLAAREFDLEILPPSLEDLYRHHMSPAPAGATPCP |
2IT1 Chain:A ((1-224)) | MVEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYK-------------------------------------------------------------------------------------- |
|
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) -121719 for 1763 contacts (-69.0/contact) +
2D Compatibility (PS) -22968 + (NN) -5925 + (LL) 5896
1D Compatibility (HY) -13600 + (ID) 3100
Total energy: -161416.0 ( -91.56 by residue)
QMean score : 0.467
|
|
|