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


Input alignment information:
Query sequenceMMDKRIFVEKKADFQVKSESLVRELQHNLGLSSLKSIRIVQVYDVFDLAEDLFAPAEKHIFSEQGTDHVLDEVSVQADLANYAFFAIESLPGQFDQRAASSQEALLLLGSSSDVTVNTAQLYLVNKDIDATELEAVKNYLLNPVDSRFKDITTGIAKQEFSESDKTIPKLTFFESYTAEDFARYKAEQGMAMEVDDLLFIQDYFKSIGRVPTETELKVLDTYWSDHCRHTTFETELKHIDFSASKFQKQLQSTYDKYIAMREELGRSEKPQTLMDMATIFGRYERANGRLDDMEVSDEINACSVEIEVDVDGVKEPWLLMFKNETHNHPTEIEPFGGAATCIGGAIRDPLSGRSYVYQAMRISGAGDITAPISETRAGKLPQQVISKTAAHGYSSYGNQIGLATTYVREYFHPGFVAKRMELGAVVGAAPKGNVV------------REKPEAGDVIILLGGKTGRDGVGGATGSSKVQTVESVETAGAEVQKGNAIEERKIQRLFRNGNVTRLIKKSNDFGAGGVCVAIGELAD----GLEIDLNKVPLKYQGLNGTEIAISESQERMAVVVRPEDVDTFVAECNKENIDAVVVATVTEKPNLVMHWNGETIVDLERRFLDINGVRVVVDAKVVDKDV------KLPEERQTSAETLESDTLTVLSDLNHASQKGLQTIFDCSVGRSTVNHPLGGRYQLTPTEASVQKLPVQHGVTHTASVIAQGFNPYVAEWSPYHGAAYAVIEATARLVAAGANWSKARFSYQEYFERMDKQAERFGQPVAALLGSIEAQIQL-GLPSIGGKDSMSGTFEELTVPPTLVAFGVTTADSRKVLSPEFK---AVGENIYYIPGQALSAEIDFDLIKKNFAQFEASQADHKVTSASA--VKYGGVVESLALATFGNY-IGAEVTLPELKTALTAQLGGFVFTSPEEIAGVEKIGQTKADFTLTVNGVKLDGHKLDSAFQGTLEEVYPTEFTQAKELEEVPAVASDVVIKAKEKVEKPVVYIPVFPGTNSEYDSAKAFEKEGAEVNLVPFVTLNEEAIVKSVETMVDNIDKTNILFFAGGFSAADEPDGSAKFIVNILLNEKVRVAIDSFIARGGLIIGICNGFQALVKSGLLPYGNFEDANNTSPTLFYNDANQHVAKMVETRIANTNSPWLAGVQVGDIHAIPVSHGEGKFVVTAEEFAELRDNGQIFSQYVDFNGKPSMDSKYNPNGSVHAIEGITSKNGQIIGKMGHSERYEDGLFQNIPGNKDQHLFASAVKHFTGK
2HS3 Chain:A ((67-577))--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FKIESHNHPSAIEPYNGAATGVGGIIRDVLA-----------MGARP-TAIFDSLHMSRIIDGII-----EGIADYGNSIGVPT-----------VGGELRISSLYAHNPLVNVLAAGVVRNDMLVDSKASRPGQVIVIFGGATGRDGIHGASFASEDLTGD--KATKLSIQVGDPFAEKMLIEAFLEMVEEGLVEGAQDLGAGGVLSATSELVAKGNLGAIVHLDRVPLREPDMEPWEILISESQERMAVVTSPQKASRILEIARKHLLFGDVVAEVIEEPVYRVMYRNDLVMEVPVQLL----------ANAPEEDIVEYTPGKIPEFKRVEFE--EVNAREVFEQYDH--MVGTDTVVPPGFGAAVMRIKRDGGYSL---------------VTHSRADLAL--------QDTYWGTLIAVLESVRKTLSVGAE----PLAITNCVNYGDPDVDPVG--LSAMMTALKNACEFSGVPVASGNASLYNTYQGKPIPPTLVVGMLGKVNPQKVAKPKPSKVFAVGWN-------------DFELEREK----ELWRAIRKLSEEGAFILSSSQLLTRTHVETFREYGLKIEVKLPEVRPA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 2HS3.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 : 3058 62846 20.55 130.39
target 2D structure prediction score : 0.51
Monomeric hydrophicity matching model chain A : 0.62

3D Compatibility (PKB) : 20.55
2D Compatibility (Sec. Struct. Predict.) : 0.51
1D Compatibility (Hydrophobicity) : 0.62
QMean score : 0.322

(partial model without unconserved sides chains):
PDB file : Tito_2HS3.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2HS3-query.scw
PDB file : Tito_Scwrl_2HS3.pdb: