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



Input alignment information:
Query sequenceMKDRIERAAAFIKQNLPESPKIGLILGSGLGILADEIENPVKLKYEDIPEFPVSTVEGHAGQLVLGTLEGVSVIAMQGRFHFYEGYSMEKVTFPVRVMKALGVEALIVTNAAGGVNTEFRAGDLMIITDHIN---FMGTNPLIGPNEADFGARFPDMSSAYDKDLSSLAEKIAKDL--NIPIQKGVYTAVTGPSYETPAEVRFLRTMGSDAVGMSTVPEVIVANHAGMRVLGISCISNAAAGILD----QPLSHDEVMEVTEKVKAGFLKLVKAIVAQYE
3PHB Chain:U ((46-315))-----KNTAEWLLSHTKHRPQVAIICGSGLGGLTDKLTQAQIFDYSEIPNFPRSTVPGHAGRLVFGFLNGRACVMMQGRFHMYEGYPLWKVTFPVRVFHLLGVDTLVVTNAAGGLNPKFEVGDIMLIRDHINLPGFSGQNPLRGPNDERFGDRFPAMSDAYDRTMRQRALSTWKQMGEQRELQEGTYVMVAGPSFETVAECRVLQKLGADAVGMSTVPEVIVARHCGLRVFGFSLITNKV--IMDYESLEKANHEEVLAAGKQAAQKLEQFVSILMA---


General information:
TITO was launched using:
RESULT:

Template: 3PHB.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain U - contact count / total energy / energy per contact / energy per residue : 1436 -111930 -77.95 -428.85
target 2D structure prediction score : 0.72
Monomeric hydrophicity matching model chain U : 0.84

3D Compatibility (PKB) : -77.95
2D Compatibility (Sec. Struct. Predict.) : 0.72
1D Compatibility (Hydrophobicity) : 0.84
QMean score : 0.617

(partial model without unconserved sides chains):
PDB file : Tito_3PHB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3PHB-query.scw
PDB file : Tito_Scwrl_3PHB.pdb: