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



Input alignment information:
Query sequenceMKEFKQISRFFWHYLRGYKPQLFVILIAVVFATYLQVKAPQYIGNAVQELGDYVVNLMQTGVDDKSDFIHIIWMLILCYVLLAAATFIQSIIMTGVAGKSTNRMRIGLFRKMEKLSIRFFDSRNDGEMLSRFTSDLDNISNTLNQALIQVLSNVALMIGVIIMMFQQNVELAFVTLISAPFAIIIATVIIRKARKFVDVQQDELGVLNGYIDEKISGQKIIITNGLEEETIDGFVKQNNIVKNATYKGQVYSGLLFPMMQGISLLNTAIVIFFGGWLALNGDLERTAALGLIVMFVQYSQQFYMPLTQISSQYSLLQLAITGARRVSEVFAEEEEVERENLQTIDGIN--KG-VKLDHVDFAYDPAKPVLKDVSIDVSKGKMVALVGPTGSGKTTVMNLLNRFYNVDGGAILFDDIDIRDIRLDSLRKQVGIVLQDSVLFTGTIRDNIVFGKPEASDDEVINAAKQANIHDFIMNLEKGYETEISDENNIFSVGQKQLMSIARTIITNPSLLILDEATSNVDTVTESRIQKAMDNVISGRTSFVIAHRLKTILDADHIVVLHQGEVIEQGNHDELMKAEGFYSELYHNQFVIE
3NHA Chain:A ((33-289))--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KEETEVKDLPGAGPLRFQKGRIEFENVHFSYAD-RETLQDVSFTVMPGQTLALVGPSGAGKSTILRLLFRFYDISSGCIRIDGQDISQVTQASLRSHIGVVPQDTVLFNDTIADNIRYGRVTAGNDEVEAAAQAAGIHDAIMAFPEGYRTQVGERGLKLSGGEKQRVAIARTILKAPGIILLDEATSALDTSNERAIQASLAKVCANRTTIVVAHRLSTVVNADQILVIKDGCIVERGRHEALLSRGGVYADMWQLQ----


General information:
TITO was launched using:
RESULT:

Template: 3NHA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -157137 for 2006 contacts (-78.3/contact) +
2D Compatibility (PS) -27280 + (NN) -7941 + (LL) 30608
1D Compatibility (HY) -23600 + (ID) 5350
Total energy: -190700.0 ( -95.06 by residue)
QMean score : 0.538

(partial model without unconserved sides chains):
PDB file : Tito_3NHA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3NHA-query.scw
PDB file : Tito_Scwrl_3NHA.pdb: