Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MTLLTVKHLTITDTWTDQPLVSDVNFTLTKGETLGVIGESGSGKSITCKSIIGL-NPERLGVTGEIIFDGTSMLSLSESQRKKYRGKDIAMVMQQGSRAFDPSTTVGKQMFETMKVHTSMSTQEIEKTLIEYMDYLSLKDPKRILKSYPYMLSGGMLQRLMIALALALKPKLIIADEPTTALDTITQYDVLEAFIDIKKHFDCAMIFISHDLTVINKIADRVVVMKNGQLIEHGTRESVLHHPEHVYTKYLLSTKKKINDHFKHVMRGDVHD
2IT1 Chain:A ((1-236))
--MVEIKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKP----TSGKIYFDEKDVTELPPKDR------NVGLVFQ--NWALYPHMTVYKNIAFPLELRKA-PREEIDKKVREVAKMLHID---KLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGN------------------
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) -178180 for 1941 contacts (-91.8/contact) +
2D Compatibility (PS) -25326 + (NN) -9513 + (LL) 1620
1D Compatibility (HY) -17600 + (ID) 3300
Total energy: -232299.0 ( -119.68 by residue)
QMean score : 0.555
(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
: