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



Input alignment information:
Query sequenceMSDFLNKRFWKYRGKRIRPYMRNNVKLAGAIIFVPVFLLSMFLFWREQLIHFDLSQVIKNFEWNVPLIIKSVLCSVLIAVGSIVASYFLLFDSYKKILHRQKIAKMIFSNKFYEKENVKVRKIFSNETDSKEKITYFPRMYYQVKNNHIYIRIAMDMSRFQNRFLDLGKDLENGLFCDLVDKQMEEGFVCFKLLYDVKKNRISIDDAVAENGVLPLMKHISWQFDKLPHMLIAGGTGGGKTYFMLTIIKACVGLGADVRILDPKNADLADLEEVLPKKVYSQKNGILMCLRKSVDGMMERMDEMKQMSNYKTGENYAYLGLKPVFIFFDEYVAFMDLLDM-KERNEALSYMKQLVMLGRQAGYFLVLGAQRPDAKYLADGIRDQFSFRVSLGLMSDTGYGMMFGDVEKAYVNKKETGRGYANVGTGSVLEFYSPIVPKGYDFMSSIKNALVGVEGAQATAVASGSVSDQTASGEGVSEANG
4LCB Chain:A ((129-280))---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------WPRGILLYGPPGNGKTMLAAAVANEID---SYFIHVDAAS--I------MSK--GEAEKNVAKIFNTAR----EY----------------SKKDNKPAIIFVDEIDALL-----VRVRNQFLKEMDGIM------MVYVIGATNKP--WRLDEPFLRRFQKRIYVPLPDFNQRLALFKY----------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4LCB.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 : 567 -103221 -182.05 -776.10
target 2D structure prediction score : 0.59
Monomeric hydrophicity matching model chain A : 0.54

3D Compatibility (PKB) : -182.05
2D Compatibility (Sec. Struct. Predict.) : 0.59
1D Compatibility (Hydrophobicity) : 0.54
QMean score : 0.338

(partial model without unconserved sides chains):
PDB file : Tito_4LCB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4LCB-query.scw
PDB file : Tito_Scwrl_4LCB.pdb: