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


Input alignment information:
Query sequenceMSDSKSDGQFYSVQVADSTFTVLKRYQQLKPIGSGAQGIVCAAFDTVLGINVAVKKLSRPFQNQTHAKRAYRELVLLKCVNHKNIISLLNVFTPQKTLEEFQDVYLVMELMDANLCQVIHMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTACTNFMMTPYVVTRYYRAPEVILGMGYKENVDIWSVGCIMAEMVLHKVLFPGRDYIDQWNKVIEQLGTPSAEFMKKLQPTVRNYVENRPKYPGIKFEELFPDWIFPSESERDKIKTSQARDLLSKMLVIDPDKRISVDEALRHPYITVWYDPAEAEAPPPQIYDAQLEEREHAIEEWKELIYKEVMDWEERSKNGVKDQPSDAAVSSKATPSQSSSINDISSMSTEHTLASDTDSSLDASTGPLEGCR
3VUL Chain:A ((7-364))------DNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRPFQNQTHAKRAYRELVLMKVVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLSQVIQMELDHERMSYLLYQMLVGIKHLHSAGIIHRDLKPSNIVVKSDATLKILDFGLAR--------------RYYRAPEVILGMGYKENVDIWSVGVIMGEMIKGGVLFPGTDHIDQWNKVIEQLGTPSPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDLE-----------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3VUL.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output 		3D Compatibility (PKB) -233026 for 2786 contacts (-83.6/contact) +
2D Compatibility (PS) -36478 + (NN) -19496 + (LL) 2904
1D Compatibility (HY) -50000 + (ID) 14500
Total energy: -350596.0 ( -125.84 by residue)
QMean score : 0.339

(partial model without unconserved sides chains):
PDB file : Tito_3VUL.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3VUL-query.scw
PDB file : Tito_Scwrl_3VUL.pdb: