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



Input alignment information:
Query sequenceMSTIEINQLKIEVADRVLVEIPHLLVSKKARIGIIGQNGLGKTTLMEVIAGAKEATSGTVTTQGKLAYIKQLSTDTSTKSGGEKTRKATQHAMRQNPSVLLADEPTSNLDVESVKHLERQWSDFHGALIIISHDRAFLDALCTEIWEIKNQKIHVYKGNYHAYLEQKQQQENQAELAYKEFKNKKKQLQASQTHHEIEAGRIVKPGKRLNNKEASAFKAGKGTQQKKQHSTIKALEKRIERLGNVEKPHTTKPIKIITPDNRVIKKGNTILSAKETAYEIAGRKLFETKAFSIKAGDKVALIGENASGKTTFLKEIIQ-ENPNLLCNPQAKIAYFDQELNGLNQTKSLLENISEISVQTKQVNREVLGSMHFKESDLHKEVRMLSGGERVKLLLSMLLLSDANFLILDEPTNYLDIYAMEALETLIKQFAGTVLFVSHDRTFVNHVAEQLLVIENNEMNFHRMTFAEYEESKAPSRITEEDKLILEMRMSEIAAKLMQPNLKPTEKAILEQDYQEIITKRQQFS
2IWH Chain:A ((436-645))------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LCNCEFSLAYGAKILLNKTQLRLKRARRYGICGPNGCGKSTLMRAIANGQVDGFPTQEECRTVYVEHDIDGTHSDTSVLDFVFESGVGTKEAIKDKLIEFGFTDEMIAMPISALSGGWKMKLALARAVLRNADILLLDEPTNHLDTVNVAWLVNYLNTCGITSITISHDSVFLDNVCEYIINYEGLKLRKYKGNFTEFVKKCPAAKAYEE--------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2IWH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -85364 for 1626 contacts (-52.5/contact) +
2D Compatibility (PS) -22160 + (NN) -6894 + (LL) 23820
1D Compatibility (HY) -13600 + (ID) 2550
Total energy: -106748.0 ( -65.65 by residue)
QMean score : 0.448

(partial model without unconserved sides chains):
PDB file : Tito_2IWH.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2IWH-query.scw
PDB file : Tito_Scwrl_2IWH.pdb: