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



Input alignment information:
Query sequenceMKKARMIVDKEYKIGEVDKRIYGSFIEHMGRAVYEGIYEPDHPEADEDGFRKDVQSLIKELQVPIIRYPGGNFLSGYNWEDGVGPVENRPRRLDLAWQTTETNEVGTNEFLSWAKKVNTEVNMAVNLGTRGIDAARNLVEYCNHPKGSYWSDLRRSHGYEQPYGIKTWCLGNEMDGPWQIGHKTADEYGRLAAETAKVMKWVDPSIELVACGSSNSGMPTFIDWEAKVLEHTYEHVDYISLHTYYGNRDNNLPNYLARSMDLDHFIKSVAATCDYVKAKTRSKKTINLSLDEWNVWYHSNEADKKVEPWITARPILEDIYNFEDALLVGSLLITMLQHADRVKIACLAQLVNVIAPIMTEKGGEAWRQPIFYPYMHASVYGRGESL-KPLISSPKYDCSDFT----------DVPYVDAAVVYSEEEETLTIFAVN-KAEDQMETEISLRGFESYQIAEHIVLEHQDIKATNQHNRKNVVPHSNGSSSVSENGLTAHFTPLSWNVIRLKKQS
3UG3 Chain:D ((25-502))-----IVVDPKEVVKPISRHIYGHFTEHLGRCIYGGIYEEGSPLSDERGFRKDVLEAVKRIKVPNLRWPGGNFVSNYHWEDGIGPKDQRPVRFDLAWQQEETNRFGTDEFIEYCREIGAEPYISINMGTGTLDEALHWLEYCNGKGNTYYAQLRRKYGHPEPYNVKFWGIGNEMYGEWQVGHMTADEYARAAKEYTKWMKVFDPTIKAIAVGCDDP------IWNLRVLQEAGDVIDFISYHFYTGSDD--YYETVSTVYLLKERLIGVKKLIDMV--DTARKRGVKIALDEWNVWYRV--SDNK----------LEEPYDLKDGIFACGVLVLLQKMSDIVPLANLAQLVNALGAIHTEKDGLIL-TPV-YKAFELIVNHSGEKLVKTHVESETYNIEGVMFINKMPFSVENAPFLDAAASISEDGKKLFIAVVNYRKEDALKVPIRVEGLGQKK-ATVYTLTGPDVNARNTMENPNVVDITSETITV-DTEFEHTFKPFSCSVIEVE---


General information:
TITO was launched using:
RESULT:

Template: 3UG3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2808 -171028 -60.91 -367.01
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain D : 0.79

3D Compatibility (PKB) : -60.91
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.79
QMean score : 0.498

(partial model without unconserved sides chains):
PDB file : Tito_3UG3.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3UG3-query.scw
PDB file : Tito_Scwrl_3UG3.pdb: