Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKARMIVDKEYKIGEVDKRIYGSFIEHMGRAVYEGIYEPDHPEADEDGFRKDVQSLIKELQVPIIRYPGGNFLSGYNWEDGVGPVENRPRRLDLAWQTTETNEVGTNEFLSWAKKVNTEVNMAVNLGTRGIDAARNLVEYCNHPKGSYWSDLRRSHGYEQPYGIKTWCLGNEMDGPWQIGHKTADEYGRLAAETAKVMKWVDPSIELVACGSSNSGMPTFIDWEAKVLEHTYEHVDYISLHTYYGNRDNNLPNYLARSMDLDHFIKSVAATCDYVKAKTRSKKTINLSLDEWNVWYHSNEADKKVEPWITARPILEDIYNFEDALLVGSLLITMLQHADRVKIACLAQLVNVIAPIMTEKGGEAWRQPIFYPYMHASVYGRGESL-KPLISSPKYDCSDFT----------DVPYVDAAVVYSEEEETLTIFAVN-KAEDQMETEISLRGFESYQIAEHIVLEHQDIKATNQHNRKNVVPHSNGSSSVSENGLTAHFTPLSWNVIRLKKQS 3UG3 Chain:E ((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 E - contact count / total energy / energy per contact / energy per residue : 2792 -168372 -60.31 -361.31 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain E : 0.79 3D Compatibility (PKB) : -60.31 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.505

(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: