Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMLECENLSCIHNDKVLFKNLSFKAKPKSKVLITGPNGSGKTSLIRSLSGLLPPASGNIRYCKKDIYDDLKSYIPSMVYIGHKNACKDSLTVAQNIEFWAGIRNT-KELIIAAI----CCLQLQPVFNIKYGELSAGWKRRVALARLLVSDASVWLVDEPFCNLDS-ATCELVLNLISVRSEQNGIVIITGHSSTEQLCSFTTIDVCNFNSYS
2IT1 Chain:A ((4-208))-IKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDV-TELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEIL


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) -147389 for 1548 contacts (-95.2/contact) +
2D Compatibility (PS) -21869 + (NN) -12621 + (LL) 300
1D Compatibility (HY) -11600 + (ID) 2850
Total energy: -196029.0 ( -126.63 by residue)
QMean score : 0.482

(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: