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


Input alignment information:
Query sequenceMSEHPQGQKHCSFCGKTQSEVGKLIAGEDAYICNECVDVCLDLVQTSQQVEAGDWASKALPKPHEIRAALDQYVIGQDLAKKTLSVAVYNHYKRLKVGQSGHVSKDVEIAKSNILLIGPTGSGKTLLAQTLARLLDVPFAMADATTLTEAGYVGEDVENIVQKLLQKADYDVEKAQKGIIYIDEIDKITRKSENPSITRDVSGEGVQQALLKMIEGTVASIPPQGGRKHPQQEFIQIDTSNILFICGGAFAGLEKIVQQRQEK-GGIGFTADVKNKDETKKLAELFRQVEPTDLVKFGLIPEFIGRLPVIATLEELDEEALMQILTEPKNALTRQYQYLFNMENVDLVFEDSALRAVAKRALERNTGARGLRSILENVLLETMYDLPSRTDVGTVFINEAVINGEAEPVYKSERQPKEAVTHESVAKADLKVIDSKSA
3HWS Chain:A ((6-352))--------------------------------------------------------------PHEIRNHLDDYVIGQEQAKKVLAVAVYNHYKRLRNGDT---SNGVELGKSNILLIGPTGSGKTLLAETLARLLDVPFTMADATTLTEAGYVGEDVENIIQKLLQKCDYDVQKAQRGIVYIDQIDKISRKSDNP---RDVSGEGVQQALLKLIEGT----------------FLQVDTSKILFICGGAFAGLDKVISHRVETGS------------DKASEGELLAQVEPEDLIKFGLIPEFIGRLPVVATLNELSEEALIQILKEPKNALTKQYQALFNLEGVDLEFRDEALDAIAKKAMARKTGARGLRSIVEAALLDTMYDLPSMEDVEKVVIDESVIDGQSEPLLIY--------------------------


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 A - contact count / total energy / energy per contact / energy per residue : 1547 -137054 -88.59 -435.09
target 2D structure prediction score : 0.74
Monomeric hydrophicity matching model chain A : 0.84

3D Compatibility (PKB) : -88.59
2D Compatibility (Sec. Struct. Predict.) : 0.74
1D Compatibility (Hydrophobicity) : 0.84
QMean score : 0.594

(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: