Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGGMALTGNKAVVYKGKGTVAVEDIGYPELILRDGPGVPKANVNRKCEHGVILKVITTNICGSDQHMVRGRTTAPEGLVLGHEITGEVIETGRDVEFIKKGDIVSVPFNIACGRCVMCKTQKTHVCLNVNPDRPGSAYGYVDMGGWVGGQSEYVMVPYA--DFQLLVFPDKEQALEKILD----LTMLSDIFPTGFHGAYTAGVQTGSTVYIAGAGPVGLAAAHSAQLLGASTVIVGDLNEDRLAQARSFGC-ETVNVQKHDRLGEQIEQILGEPTVDAAVDCVGFEA---SGHGNQGEAPAAVLNSIMDVTQVGGSLGIPGLYVTEDPGAKDADAKTGSLKIRFGLGWAKAHTFVTGQTPAMTYNRNLMKAILSGRAQIAKAVN-ATVISLDDAPKGYSDFDKGAAKKFVIDPHGTLK 1KOL Chain:A ((2-394)) -------GNRGVVYLGSGKVEVQKIDYPKMQD------PRGK---KIEHGVILKVVSTNICGSDQHMVRGRTTAQVGLVLGHEITGEVIEKGRDVENLQIGDLVSVPFNVACGRCRSCKEMHTGVCLTVNPARAGGAYGYVDMGDWTGGQAEYVLVPYADFN--LLKLPDR----DKAMEKIRDLTCLSDILPTGYHGAVTAGVGPGSTVYVAGAGPVGLAAAASARLLGAAVVIVGDLNPARLAHAKAQGFEIADLSLDT-PLHEQIAALLGEPEVDCAVDAVGFEARGHGHEGAKHEAPATVLNSLMQVTRVAGKIGIPGLYVTEDPGAVDAAAKIGSLSIRFGLGWAKSHSFHTGQTPVMKYNRALMQAIMWDRINIAEVVGVQVIS-LDDAPRGYGEFDAGVPKKFVIDPHKT--

General information: TITO was launched using: RESULT: Template: 1KOL.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 : 2435 -80485 -33.05 -210.69 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -33.05 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.545

(partial model without unconserved sides chains): PDB file : Tito_1KOL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1KOL-query.scw PDB file : Tito_Scwrl_1KOL.pdb: