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



Input alignment information:
Query sequenceMLEAYRQHVAERAALGVPPKPLDDAQTAQLVELLKNPPAGEEAFLVDLLENRVPAGVDQAAYVKAAFLAAIAKGEATSPLVSKERAVYLLGTMLGGYNVAPLVELLDDAELGSLAAEALKKTLLVFDAFHDVADKAKAGNANAKAVLQSWADAEWFTSRKDVPEEIKITVFKVTGETNTDDLSPAQDAWSRPDIPLHANAMLKNERDGINPEKPGEVGPLSQIKELIAKGNQVAYVGDVVGTGSSRKSATNSVLWFFGDEIAHIPNKKDGGVCLGGKIAPIFFNTMEDAGALPVEIDVSNMNMGDEVTLKIDHAAAKVTAFKNGEQIAESELKTPVLLDEVHAGGRINLIIGRGLTAKAREVLGLAPSTLFRTPVQPADTGKGFTLAQKMVGRACGLPEGQGIRPGTYCEPKMTTVGSQDTTGPMTRDELKDLACLGFSADLVMQSFCHTAAYPKPVDVQMQHTLPDFIMNRGGVSL-RPGDGIIHSWLNRM-LLPDTVGTGGDSHTRFPI---GISFPAGSGLVAFAAATGVMPLDMPESVLVKFKGKMQPGITLRDLVHAIPYYAIKEGDLTVEKKGKKNIFSGRILEIDLTEMETDLTVEQAFELSDASAERSAAGCAITLSEEKVAEYLRSNITMLKWMISQGYGDARTMARRVENMEKWLANPSLLKADADAEYTKVYEIDLSEIKEPILCCPNDPDDAKLLSDVQGDKIDEVFIGSCMT-NIGHFRAAGQLLEKVPSGSLTTRLWLAPPTRMDEHQLMEEGFYNTYGRAGARTEMPGCSLCMGNQ-ARVAPNTTVVSTSTRNFPNRLG-QGSNVYLASAELASVAAVLGKLPTPEEYQQYAAQIDSMSADIYKYLNFDQMGEYTNAADKVDTKKIAAAQLT
4KP2 Chain:A ((1-418))-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MTLVEKILSKKVGY----EVCAGDSIEVEVDLAMTHDGTTPLAYKALKEMSDSVWNPDKIVVAFDHNVPPNTVKAAEMQKLALEFVKRFGIKNFHKGGEGICHQILAENYVLPNMFVAGGDSHTCTHGAFGAFATGFGATDMAYIYATGETWIKVPKTIRVDIVGK-NENVSAKDIVLRVC----K--EI------GRRGATYMAIEYGGEVV-KNMDMDGRLTLCNMAIEMGGKTGVIEADEITY-DYLKKER---------GLSD-----EDIAK---L-KKERITVNRDEANYYKEIEIDITDM-EEQVAVPHHPDNVKPISDVEGTEINQVFIGSCTNGRLSDLREAAKYLKGR-EVHKDVKLIVIPASKKVFLQALKEGIIDIFVKAGAMICTPGCGPCLGAHQGVLAEGEICLSTTNRNFKGRMGHINSYIYLASPKIAAISAVKGYITNK-----------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4KP2.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 : 2636 -4873 -1.85 -11.88
target 2D structure prediction score : 0.58
Monomeric hydrophicity matching model chain A : 0.64

3D Compatibility (PKB) : -1.85
2D Compatibility (Sec. Struct. Predict.) : 0.58
1D Compatibility (Hydrophobicity) : 0.64
QMean score : 0.428

(partial model without unconserved sides chains):
PDB file : Tito_4KP2.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4KP2-query.scw
PDB file : Tito_Scwrl_4KP2.pdb: