Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MEAIKVESLTKNYHKKRAIENVDLSVNEGELYGFIGPNGAGKSTTIKVLLNFIYATSGGATILGKDVVKDSAEIKKMVGYVPSEVRYYPQMTANDIIHYAAKFHHI--ENATQKMNKYYEMFSIDP--KKRFGEMSLGNKKKVAIVAGLITEPQLFILDEPTNGLDPLMQHYLFKEMTERNKE-GMTIFLSSHNLREVQEYCTRAAFIRNGNIIAVEDIANQQMTGKVIALKGTNLPLEKLTNAGARIIEKEMGKARLIFDDDIKTILPLLQEKEITDLTITNQELEDKFMTLYEGGEIK |
2IT1 Chain:A ((1-215)) | MVEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPK-DRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQV------------------------------------------------------------------------------------ |
|
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) -112573 for 1685 contacts (-66.8/contact) +
2D Compatibility (PS) -22195 + (NN) -6838 + (LL) 6696
1D Compatibility (HY) -15600 + (ID) 3250
Total energy: -153760.0 ( -91.25 by residue)
QMean score : 0.426
|
|
|