Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNENLITITGLTKKYRKRKPLNDINLSLQKGKIIGLLGPNGAGKTTLLNAISGLLKPTSGTINLAEN---------SKIAYLPSEDFL-PNMVICDYFRIYHSFFP---DFDQEKAKQMIRSFGIN--IKENTKYLSKGNAAKVMLALILCRDVDLYLLDEPFSEIDLISRDDLIKSIATFLK-EDATLVVTTHLIQDMEMMFDEIIFLKRGKIIEQIDTETLREEYRKSVMDYYREVFGHA
2IT1 Chain:A ((2-225))
---VEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKP---------------
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) -156246 for 1653 contacts (-94.5/contact) +
2D Compatibility (PS) -22570 + (NN) -8868 + (LL) 1420
1D Compatibility (HY) -12800 + (ID) 2850
Total energy: -201914.0 ( -122.15 by residue)
QMean score : 0.590
(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
: