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



Input alignment information:
Query sequenceMSLLWVFYQNNVQKLNLSNLPSSHPVTIGPDVKDSVTISTIPFNSGVISLKRKESGGQYEVFLGNDCLGTIETDISFTLQTDQQDIRLILTGSEPEKSVYFTGNRDEIVCSSEKTNADIYLNPQDFAFAEQSTFSLLRAGGSWSVRPESGTIFLNGEKINANTPLKPGDEIFWNFTQMRVTEQDLLEIVHYAQFETALTETVKPSTEMQKKYPQYRRTPRMVYDLPDDRVSFSFPSQESDQTNRGLWLVILPPLVMLIVMGVVAIIQPRGIFILVSLAMFMMTLITSTVQYFRDKNQRKKREEKRERVYKLYLDNKRKELQALAEKQKQVLEFHFPSFEQMKYLTSEISDRIWEKSLESKDYLQLRLGTGTVPSSYEINMSGGDLANRDIDDLMEKSQHMQRVYKDIRNAPVTVDLAEGPMGLVGKSQIVKNEIHQLIGQLSFFNSYHDLRFVFIFHEEEYKDWEWMKWLPQFQMPHIYAKGFIYNEQTRDQLLSSLYELIRERDLEDDKEKLQFKPHFVFVITNQQLISEHVILEYLEGQHEHLGISTIVAAETKESLSENITTLVRYINEH--EGDILIQKKKAVRIPFRLDHHQREDNERFSRTLRTLNHQVG-----ITNSIP-ETVSFLELFHAK----EVKEIGIQQRWLTSESSKSLSVPIGYKGKDDIVYLNLHEKAHGPHGLLAGTTGSGKSEFLQTYILSLAVHFHPHEAAFLLIDYKGGGMAQPFRNIPHLLGTITNIEGSKNFSMRALASIKSELKKRQRLFDQYQVNHINDYTKLYKQGKAE---------------------VAMPHLFLISDEFAELKSEEPDFIRELVSA-ARIGRSLGVHLILATQKPG-GIIDDQIWSNSRFKVALKVQDATDSKEILKNSDAANITVTGRGYLQVGNNEVYELFQSAWSGAPYLEEVYGTEDEIAIVTDTGLIPLSEVDTEDNAKKDVQTEIEAVVDEIERIQDEMGIEKLPSPWLPPLAERIPRTLFPSNEKDHFHFAYVDEPDLQRQAPIAYKMMEDGNIGIFGSSGYGKSIAAATFLMSFADVYTPEELHVYIFDFGNGTLLPLAKLPHTADYFLMDQSRKIEKFMIRIKEEIDRRKRLFREKEISHIKMYNALSEEELPFIFITIDNFDIVKDEMHELESEFVQLSRDGQSLGIYFMLTATRVNAVRQSLLNNLKTKIVHYLMDQSEGYSIYGRPKFNLEPIPGRVIIQKEELYFAQMFLPVDADDDIGMFNELKSDVQKLQGRFASMEQPAPIPMLPESLSTRELSIRFKLERKPLSVPIGLHEETVSPVYFDLGKHKHCLILGQTQRGKTNVLKVMLEHLIDDETEMIGLFDSIDRGLSHYAKESDVSYLETKEDIEQWIETAEDIFKTREAMYVEAVRQGDAQNLRFSQVVLMIDGITRFQQTIDTRIQDRLANFMKSYAHLGFSFIPGGNHSEFSKGYDSLTTEMKQIRHAILLMKKSEQNVIPLPYQRQEPEIQPGFGYVVENGKEQKVQIPLCSAERESAR
2IUT Chain:A ((70-477))---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LPPLSLLDPAEVKQK------SYSPESLEAMSRLLEIKLKEFGVEVSVDSVHPGPVITRFEIQPAAGVKVSRISNLAKDLARSLAVISVRVVEVIPGKTTVGIEIPNEDRQMVRFSEVLSSPEYDEHKST--VPLALGHDIGGRPIITDLAKM---PHLLVAGTTGSGKSVGVNAMLLSILFKSTPSEARLIMIDPKMLELS-IYEGIPHLLCPVVT---DMKEAANALRWSVAEMERRYRLMAAMGVRNLAGFNRKVKDAEEAGTPLTDPLFRRESPDDEPPQLSTLPTIVVVVDEFADMMMIVGKKVEELIARIAQKARAAGIHLILATQRPSVDVITGLIKANIPTRIAFQVSSKIDSRTILDQGGAEQLLGHGDMLYLPPGTGLPIRVHGAFVSDDEVHRVVEAWKLRGAPDYIEDILA------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2IUT.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 : 1890 18674 9.88 50.06
target 2D structure prediction score : 0.63
Monomeric hydrophicity matching model chain A : 0.57

3D Compatibility (PKB) : 9.88
2D Compatibility (Sec. Struct. Predict.) : 0.63
1D Compatibility (Hydrophobicity) : 0.57
QMean score : 0.431

(partial model without unconserved sides chains):
PDB file : Tito_2IUT.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2IUT-query.scw
PDB file : Tito_Scwrl_2IUT.pdb: