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



Input alignment information:
Query sequenceMKLNNYSLKVKNKQLVDNCDLNFYLGQINHIVGKNGVGKSLLAKDF--LLNN-SGNIPKSIS---QNVTLISSSSNIPNDI------TKDFLLSLLKSKFE----NNRQTFDKIYNILNIEAIPSNVLLKNLSDGQKQKLKLLSFLLEDHDLIILDEVTNALDKKTVNEIYEFLNDFIQSHQTKTIINITHNLSDLSALPGKYFIFKDLQIEEYQSKEEVINDYINL
2IT1 Chain:A ((4-225))IKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLL-NRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKE-LGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKP---


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) -78077 for 1608 contacts (-48.6/contact) +
2D Compatibility (PS) -21563 + (NN) -1696 + (LL) 316
1D Compatibility (HY) -8000 + (ID) 2050
Total energy: -111070.0 ( -69.07 by residue)
QMean score : 0.439

(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: