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


Input alignment information:
Query sequenceMDMNQYLDVFIDESKEHLQTCNEKLLLLEKDPTDLQLVHDIFRAAHTLKGMSATMGYTDLAHLTHLLENVLDAIRNGDMEVTSDWLDILFEALDHLETMVQSIIDGGDGKRDISEVSAKLDVNGAHAESAASAEPAEAQSSASDWEYDEFERTVIQEAEEQGFKRYEIKISLNENCMLKAVRVYMVFEKLNEVGEVAKTIPSAEVLETEDFGTDFQVCFLTHQSAEDIEQLINGVSEIEHVEVIQGAPLTSAEKPEESKQEDSPAAAVPAKQEKQKQPAKNDEQAKHSAGGSKTIRVNIDRLDSLMNLFEELVIDRGRLEQIAKELEHNELTETVERMTRISGDLQSIILNMRMVPVETVFNRFPRMIRQLQKELNKKIELSIIGAETELDRTVIDEIGDPLVHLIRNSIDHGIEAPETRLQKGKPESGKVVLKAYHSGNHVFIEVEDDGAGLNRKKILEKALERGVITEKEAETLEDNQIYELIFAPGFSTADQISDISGRGVGLDVVKNKLESLGGSVSVKSAEGQGSLFSIQLPLTLSIISVLLIKLEEETFAIPISSIIETAVIDRKDILQTHDREVIDFRGHIVPVVYLKEEFKIEDTRKDAEQLHIIVVKKGDKPTAFVVDSFIGQQEVVLKSLGDYLTNVFAISGATILGDGEVALIIDCNALII
2CH4 Chain:B ((4-320))-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MVPISFVFNRFPRMVRDLAKKMNKEVNFIMRGEDTELDRTFVEEIGEPLLHLLRNAIDHGIEPKEERIAKGKPPIGTLILSARHEGNNVVIEVEDDGRGIDKEKIIRKAIEKGLIDESKAATLSDQEILNFLFVPGFS--------------MDVVKNVVESLNGSISIESEKDKGTKVTIRLPLTLAIIQALLVKVNNLVYAIPIANIDTILSISKEDIQRVQDRDVIVIRGEVIPVYRLWEVLQIEHKEELEEMEAVI-VRVGNRKYGIVVDDLLGQDDIVIKSLGKVFSEVKEFSGAAILGDGSIALIINVSGIV-


General information:
TITO was launched using:
RESULT:

Template: 2CH4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output 		Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1431 -210873 -147.36 -695.95
target 2D structure prediction score : 0.60
Monomeric hydrophicity matching model chain B : 0.70

3D Compatibility (PKB) : -147.36
2D Compatibility (Sec. Struct. Predict.) : 0.60
1D Compatibility (Hydrophobicity) : 0.70
QMean score : 0.534

(partial model without unconserved sides chains):
PDB file : Tito_2CH4.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2CH4-query.scw
PDB file : Tito_Scwrl_2CH4.pdb: