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



Input alignment information:
Query sequenceMKDRIERAAAFIKQNLPESPKIGLILGSGLGILADEIENPVKLKYEDIPEFPVSTVEGHAGQLVLGTLEGVSVIAMQGRFHFYEGYSMEKVTFPVRVMKALGVEALIVTNAAGGVNTEFRAGDLMIITDHIN---FMGTNPLIGPNEADFGARFPDMSSAYDKDLSSLAEKIAKDL--NIPIQKGVYTAVTGPSYETPAEVRFLRTMGSDAVGMSTVPEVIVANHAGMRVLGISCISNAAAGILD----QPLSHDEVMEVTEKVKAGFLKLVKAIVAQYE
3PHB Chain:Y ((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 Y - contact count / total energy / energy per contact / energy per residue : 1455 -114220 -78.50 -437.62
target 2D structure prediction score : 0.70
Monomeric hydrophicity matching model chain Y : 0.84

3D Compatibility (PKB) : -78.50
2D Compatibility (Sec. Struct. Predict.) : 0.70
1D Compatibility (Hydrophobicity) : 0.84
QMean score : 0.621

(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: