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


Input alignment information:
Query sequenceMSEHPQGQKHCSFCGKTQSEVGKLIAGEDAYICNECVDVCLDLVQTSQQVEAGDWASKALPKPHEIRAALDQYVIGQDLAKKTLSVAVYNHYKRLKVGQSGHVSKDVEIAKSNILLIGPTGSGKTLLAQTLARLLDVPFAMADATTLTEAGYVGEDVENIVQKLLQKADYDVEKAQKGIIYIDEIDKITRKSENPSITRDVSGEGVQQALLKMIEGTVASIPPQGGRKHPQQEFIQIDTSNILFICGGAFAGLEKIVQQRQEKGGIGFTADVKNKDETKKLAELFRQVEPTDLVKFGLIPEFIGRLPVIATLEELDEEALMQILTEPKNALTRQYQYLFNMENVDLVFEDSALRAVAKRALERNTGARGLRSILENVLLETMYDLPSRTDVGTVFINEAVINGEAEPVYKSERQPKEAVTHESVAKADLKVIDSKSA
3HWS Chain:B ((2-349))----------------------------------------------------------ALPTPHEIRNHLDDYVIGQEQAKKVLAVAVYNHYKRLR---NGDTSNGVELGKSNILLIGPTGSGKTLLAETLARLLDVPFTMADATTLTEAGYVGEDVENIIQKLLQKCDYDVQKAQRGIVYIDQIDKISR-------------EGVQQALLKLIEGT---------RKHPQQEFLQVDTSKILFICGGAFAGLDKVISHRVET---------------ASEGELLAQVEPEDLIKFGLIPEFIGRLPVVATLNELSEEALIQILKEPKNALTKQYQALFNLEGVDLEFRDEALDAIAKKAMARKTGARGLRSIVEAALLDTMYDLPSMEDVEKVVIDESVIDGQSEPL-----------------------------


General information:
TITO was launched using:
RESULT:

Template: 3HWS.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 : 1517 -188738 -124.42 -608.83
target 2D structure prediction score : 0.75
Monomeric hydrophicity matching model chain B : 0.84

3D Compatibility (PKB) : -124.42
2D Compatibility (Sec. Struct. Predict.) : 0.75
1D Compatibility (Hydrophobicity) : 0.84
QMean score : 0.603

(partial model without unconserved sides chains):
PDB file : Tito_3HWS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3HWS-query.scw
PDB file : Tito_Scwrl_3HWS.pdb: