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



Input alignment information:
Query sequenceMSITKEFDTIAAISTPLGEGAIGIVRISGTDALKIASKIYRGKDLSAIQSHTLNYGHIVDPDKNEILDEVMLGVMLAPKTFTREDVIEINTHGGIAVTNEILQLILRHGARMAEPGEFTKRAFLNGRVDLTQAEAVMDLIRAKTDKAMDIAVKQLDGSLKTLINNTRQEILNTLAQVEVNIDYPEYDDVEEMTTTLMREKTQEFQALMENLLRTARRGKILREGLSTAIIGRPNVGKSSLLNNLLREEKAIVTDIEGTTRDVIEEYVNIKGVP----LKLVDTAGIRDT--DDIVEKIGVERSKKALEEADLVLLVLNSSEPLTLQDRSLLE-LSKESNR--IVLLNKTD--------LPQKIEVN-ELPE--NVIPISVLENENIDKIEERINDIFFDNAGMVEHDATYLSNARHISLIEKAVDSLKAVNEGLELGMPVDLLQVDMTRTWEILGEITGDAAPDELITQLFSQFCLGK
3R9W Chain:A ((12-171))----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VAIVGKPNVGKSTLLNNLLGTKVSIISPKAGTTRMRV---LGVKNIPNEAQIIFLDTPGIYEPKKSDVLGHSMVEIAKQSLEEADVILFMIDATEGWRPRDEEIYQNFIKPLNKPVIVVINKIDKIGPAKNVLPLIDEIHKKHPELTEIVPISALKGANLDELVKTILKYLPEGEPLFPEDMITDLPLRLLAAEIVREKAMMLTREEVPTSIAVKINEIKPGDANPNMLVIKGEIIVDRENLKPIIIGKKGQ


General information:
TITO was launched using:
RESULT:

Template: 3R9W.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -48708 for 1039 contacts (-46.9/contact) +
2D Compatibility (PS) -15372 + (NN) -7255 + (LL) 17892
1D Compatibility (HY) -14400 + (ID) 2800
Total energy: -70643.0 ( -67.99 by residue)
QMean score : 0.543

(partial model without unconserved sides chains):
PDB file : Tito_3R9W.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3R9W-query.scw
PDB file : Tito_Scwrl_3R9W.pdb: