Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEQKPVQWASKIGFVMAAAGSAIGLGAIWKFPYVAGTNGGGAFFLIFVLFTILLGYPLLVGEFIFGR------RNQTNAIDAYKKEAPRSAWFLTGWIGVAACFLVLSFYSVIGGWILLYIVK------------TASGSLSGLSQAQYGALFASIIQNPV--QTLAAQLVF---MALTVLVVARGVQKGIERVSAVMMPILFLLFILLVLRSL---TLNG-AMEGVKFLLVPHFGDL-TPESILFALGQAFFTLTLGVSVMVTYSSYLPKTQNIPRSAASIVLMNIIVTLLAGLAI-FPAVFSFGFQPNE-------GPTLLFTVLPAVFEQLPFGTLFFIGFLVAFLFAALTSAFSMVEIIVATIGKGDEKKRKK-LSWTSGLLIFLVGIPCCLSYGVLSDVHLFGKTFFDIADFTVSNVLMPSGALLISLFIPLKISKSELLAEMRNGSNAGKAFFYTWFYLLRFIVPLAIIIVFLNLIGILSF 4HOD Chain:A ((5-388)) -----REHWATRLGLILAMAGNAVGLGNFLRFPVQAAENGGGAFMIPYIIAFLLVGIPLMWIEWAMGRYGGAQGHGTTPAI-FYLLWRNRFAKIL-GVFGLWIPLVVAIYYVYIESWTLGFAIKFLVGLVPEPPPTDPDSILRPFKEFLYSYIGVPKGDEPILKPSLFAYIVFLITMFINVSILIRGISKGIERFAKIAMPTLFILAVFLVIRVFLLETPNGTAADGLNFLWTPDFEKLKDPGVWIAAVGQIFFTLSLGFGAIITYASYVRKDQDIVLSGLTAATLNEKASVILGGSISIPAAVAFFGVANAVAIAKAGAFNLGFITLPAIFSQTAGGTFLGFLWFFLLFFAGLTSSIAIMQPMIAFLEDELKLSRKHAVLWTAAIVFF---------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4HOD.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 : 1770 -288763 -163.14 -836.99 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -163.14 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.429

(partial model without unconserved sides chains): PDB file : Tito_4HOD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HOD-query.scw PDB file : Tito_Scwrl_4HOD.pdb: