Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTHRLHADAVTLRRDARTVSRNLSLAIPEGSFSVIVGPNACGKSTLLAALSRLLAPAEGRVVLDGRDIHSLPGREVARRLGLLPQS-ALAPDGITVAELVARGRYPHQSFLRQWSPADE--RAVAAALRATRVDGLAERPLDALSGGQRQRVWIAMVLAQETPLLLLDEPTTYLDIVHQIELLELLAELNRQ-GRTIVAVLHDLNQACRYASHLIAMRDGAILAEGAPAHIFTERLVEEVFGLRSLIIADPVSGTPLLVPRGIAADAPG
2IT1 Chain:B ((17-222))
-----------------TALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKD--RNVGLVFQNWALYPH-MTVYKNIA---FPLE--LRK-APREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVY-------------------------------------
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) -153137 for 1560 contacts (-98.2/contact) +
2D Compatibility (PS) -22081 + (NN) -12600 + (LL) 4304
1D Compatibility (HY) -14000 + (ID) 3800
Total energy: -201314.0 ( -129.05 by residue)
QMean score : 0.503
(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
: