Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTTAGNSLGRIQIRDLSIRLGQGSEAFEAVRDLNLEARPGEFVCLLGPSGCGKSTLLGALAGHLRPSAGSVRVDGRSV-EGPSPQR--GMVFQQHTLFPWRRVRDNVAFGLKMQGLARAERNRRAMEMLGLVGLADFAGRWPGQLSGGMQQRVEIARVLVNRPRLLLMDEPFGALDAQTRLKMQTLLLDVWARVRTTVLFVTHDIDEALYLADRVLVMSPRPGRIIADLALDFPRPRDTRLVTSADFVRLKRHCLELLDHDDGRQLPRLTPLGLPPGITPDRLRIAI
2IT1 Chain:A ((3-213))
---------EIKLENIVKKFGN----FTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVI--REGEIL-------------------------------------------------------------
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) -154702 for 1653 contacts (-93.6/contact) +
2D Compatibility (PS) -23018 + (NN) -17211 + (LL) 3416
1D Compatibility (HY) -18000 + (ID) 4350
Total energy: -213865.0 ( -129.38 by residue)
QMean score : 0.504
(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
: