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



Input alignment information:
Query sequenceMIKLTNVVKKFGKIEAVKGINLEVEKGSLFAFLGENGAGKSTTLSMICTESEPTSGEIYIDDEKLTFKNRKLFRQKLGVVFQENVLDDLLTVRENLYNRASLYGKTKAEITERLALVSSIMGIEDILNRRFEKLSGGQKRRAEIARAIMHDPEILLLDEPTTGLDPKTRVSVWKIIDYLREELGMTVFLTTHYLEEA-KDADQLAVIHKGKIIAQGTPTNIRSRFSVDKIFFYDAKVAELQKIMKKANLPFKVSKATMRVDVITQDVEILAILNQAAGLYGSFEVIKGNLDDAFISMIKEESDD
2IT1 Chain:A ((4-221))-IKLENIVKKFGNFTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPK--DRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEV-----------------------------------------------------------------------------------


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) -104364 for 1747 contacts (-59.7/contact) +
2D Compatibility (PS) -23511 + (NN) -5373 + (LL) 7488
1D Compatibility (HY) -18000 + (ID) 4500
Total energy: -148260.0 ( -84.87 by residue)
QMean score : 0.477

(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: