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



Input alignment information:
Query sequenceMVEMALKNVYKKYDNAENYSVTDFNLSIKDREFIVFVGPSGCGKSTTLRMIAGLEDISEGELNIGGKVMNDVAPKDRDIAMVFQNYALYPHMTVFDNMAFGLKLRKYDKADIKKRVDNAAEILGLTEYLKRKPAALSGGQRQRVALGRAIVRDAKVFLMDEPLSNLDAKLRVAMRAEIAKLHQRLETTTIYVTHDQTEAMTMADRIVIMKDGFIQQIGTPKEVYDTPVNMFVAGFIGSPAMNFFNVTLKNGVITDGHGLKLRIPEGKNKVLVEKGYE---GKEVIFGIRPEDIHSEQVALEASPEAVVKSEVVVSELLGAETMLYTKTGSTEFISKVDARDFHKPGEIVDLAFNISKGHFFDKETEQVIKLP
3PUY Chain:A ((2-322))-ASVQLQNVTKAW--GEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGLKLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQVGKPLELYHYPADRFVAGFIGSPKMNFLPVKVTATAI-DQVQVELPMPNRQQVWLPVESRDVQVGANMSLGIRPEHLLPSDIA-----DVILEGEVQVVEQLGNETQIHIQIPS------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3PUY.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 : 1470 -151179 -102.84 -475.41
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain A : 0.81

3D Compatibility (PKB) : -102.84
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.81
QMean score : 0.525

(partial model without unconserved sides chains):
PDB file : Tito_3PUY.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3PUY-query.scw
PDB file : Tito_Scwrl_3PUY.pdb: