Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNIDRRISKTKKAIYQAFIQLLNAKGYEATTVQDIIDLADVGRSTFYCHYESKELLLDQLCRYLFHHLFEREQA-ISTEDYLAHLFLHFHKNQDHITSLL-FSKNDYFLRQLHKELEH-HVYSVLADNLKEAHPNLPTSYLQHLVMSNFIETLTWWLKKGQDFTDQEVVQFYLDLLIPKN 3KKC Chain:B ((3-176)) AMVKDRQIQKTKVAIYNAFISLLQENDYSKITVQDVIGLANVGRSTFYSHYESKEVLLKELCEDLFHHLFKQGRDVTF-EEYLVHILKHFEQNQDSIATLLLSD-DPYFLLRFRSELEHDVYPRLREE--YITKVDIPEDFLKQFLLSSFIETLKWWLHQRQKMTVEDLLKYYLTMVE---

General information: TITO was launched using: RESULT: Template: 3KKC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 535 -70324 -131.45 -411.25 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -131.45 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.575

(partial model without unconserved sides chains): PDB file : Tito_3KKC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KKC-query.scw PDB file : Tito_Scwrl_3KKC.pdb: