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


Input alignment information:
Query sequenceMSKMLYTLGGWVARNRIKAICAWIVVLVAAIGLAVTLKPSFSEDMSIPDTPSEKAMDVIQKEFPHGPDKGSIRVIFGAGDGEKLTGKPAKKAIEDTFKEISKDDSVDSIASPFVTGTIAKDGTVAYADIQYKSSADDIKDYSIKHLKDSLKMADDEGLQTELSGDVPGAEMEIGGVSEIVGIILAFVVLAITFGSLLIAGLPILTALIGLGVSIGLVLIGTQVFDIASVSLSLAGMIGLAVGIDYALFIFTKHRQFLGEGIQKNESIARAVGTAGSAVVFAGLTVIVALCGLTVVNIPFMSAMGLTAGLSVLMAVLASITLVPAVLSIAGKRMIPKSNKKIEKQSTETNVWGRFVTKNPIMLSVCSILILIVISIPSMHLELGLPDAGMKAKDNPDRRAYDLLAEGFGEGFNGQLTIVADATNATENKAEAFADAVKEIKGLDHVASVTPAMPNKEGNFAIITVVPETGPNDVTTKDLVHDVRSLSDKNGVDLLVTGSTAVNIDISDRLNDAIPVFAVLIVGFAFVLLTIVFRSLLVPLVAVAGFMLTMTATLGICVFVLQDGNLIDFFKIPEKGPILAFLPILSIGILFGLAMDYQVFLVSRMREEYVKTNNPVQAIQAGLKHSGPVVTAAGLIMIFVFAGFIFAGEASIKANGLALSFGVLFDAFIVRMTLIPSVMKLMGNAAWYLPKWLDKIIPNVDIEGHQLTKEIQPEIDHEQKKQISV
3AQP Chain:A ((252-438))----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VPLKVAEIRAIGPTLGQDAIQAGIRSALIGTLAIFLLIFAYYG-PHLGLVASLGLLYTSALILGLLS----------GLGAT-----LTLPGIAGLVLTLGAAVDGNVLSFERIKEELRAGKKLRQAIPEGFRHSTLTIMDVNIAHLLAAAALYQYATGPVRGFAVILAIGVVA-SVFSNLVFSRHLLERLADRGEIR------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3AQP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output 		Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 656 -122391 -186.57 -676.19
target 2D structure prediction score : 0.70
Monomeric hydrophicity matching model chain A : 0.54

3D Compatibility (PKB) : -186.57
2D Compatibility (Sec. Struct. Predict.) : 0.70
1D Compatibility (Hydrophobicity) : 0.54
QMean score : 0.348

(partial model without unconserved sides chains):
PDB file : Tito_3AQP.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3AQP-query.scw
PDB file : Tito_Scwrl_3AQP.pdb: