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



Input alignment information:
Query sequenceMLSRQLEVSLRLAVSMARQKRHEFLTVEHLLLALLDNDSAVNALKACGADIVSLRKELEEYVEQHTPKLGENSEQAPHPTESFDRILQRAIFHVQSSGGDRTVEGADVLVAMYSERDSFAVYLLKRHQINRLTLTQYLSHGTRKDEVQVEEEVEDIEGESNSGNAGPLELYTLNLNVEAQKGKTDPLIGREKEIERTAQILCRRRKNNPLLVGDPGVGKTSIAEGLAWLIVNGKAPKPLSHAEIYSLDIGALVAGTKYRGDFEKRLKQLLNALKKNPNAILFIDEIHMIIGAGSSMGSTMDASNLIKPALANGTLRCIGSTTFQEYRQVFEKDHALSRRFQKIDVNEPSISETIDILRGLKTKFEDFHHVQYDDKALVSAVELSAKFINDRFLPDKAIDVIDEAGAQCRLKAESEDSLITVENIEDIVSKIARIPPKTVSKDDKSVLENLERDLKRVVFGQDEAITALASAIKLSRAGLKSPDKPVGSFVFAGPTGVGKTEVTKQLA-KLLGVE--LVRFDMSEYMERHAVSRLIGAPPGYVGYDQGGLLTDAIHKNPHCVLLLDEIEKAHPDVFNLLLQIMDHGALTDNNGRKSDFRNVIIVLTTNIGAESISRA-SIGFTEQDHSSDNQEAMKRAFSPEFRNRLDGVIQFKALPTTVIESVVDKFLTELQAQLDEKRVVLDVDQSACDWLATNGYDRLMGARPMQRLIQEHLKKPLAEMILFGELADHGGNVAVSVKKEDGKAVGLKLEVFEDHHTAEPA
4FD2 Chain:D ((14-295))----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KRVV-GQDEAIRAVADAIRRARAGLKDPNRPIGSFLFLGPTGVGKTELAKTLAATLFDTEEAMIRIDMTEYMEKHAVSRLIGAPPGYVGYEEGGQLTEAVRRRPYSVILFDAIEKAHPDVFNILLQILDDGRLTDSHGRTVDFRNTVIILTSNLGSPLILEGLQKGWPYERIRDEVFKVLQQHFRPEFLNRLDEIVVFRPLTKEQIRQIVEIQLSYLRARLAEKRISLELTEAAKDFLAERGYDPVFGARPLRRVIQRELETPLAQKILAGEVKE-GDRVQVDV------------------------


General information:
TITO was launched using:
RESULT:

Template: 4FD2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1274 -40264 -31.60 -144.83
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain D : 0.67

3D Compatibility (PKB) : -31.60
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.67
QMean score : 0.528

(partial model without unconserved sides chains):
PDB file : Tito_4FD2.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4FD2-query.scw
PDB file : Tito_Scwrl_4FD2.pdb: