Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNENLITITGLTKKYRKRK--PLNDINLSLQKGKIIGLLGPNGAGKTTLLNAISGLLKPTSGTIN-----LAENSKIAYLPSEDFLPNMVICDYFRIYHSF-------FPDFDQEKAKQMIRSFGINIKENTKY-------------LSKGNAAKVMLALILCRDVDLYLLDEPFSEIDLISRDD---LIKSIATFLKEDATLVVTTHLIQDMEMMFDEIIFLKRGKIIEQIDTETLREEYRKSVMDYYREVFGHA 1OXX Chain:K ((4-228)) -----IIVKNVSKVFKKGKVVALDNVNINIENGERFGILGPSGAGKTTFMRIIAGLDVPSTGELYFDDRLVASNGKL-IVPPEDRKIGMVFQTW-ALYPNLTAFENIAFPLTNMKMSKEEIRK---RVEEVAKILDIHHVLNHFPRELSGAQQQRVALARALVKDPSLLLLDEPFSNLDARMRDSARALVKEVQSRL--GVTLLVVSHDPADIFAIADRVGVLVKGKLVQVGKPEDL-------------------

General information: TITO was launched using: RESULT: Template: 1OXX.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -124754 for 1449 contacts (-86.1/contact) + 2D Compatibility (PS) -20550 + (NN) -5057 + (LL) 2524 1D Compatibility (HY) -14800 + (ID) 3500 Total energy: -166137.0 ( -114.66 by residue) QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_1OXX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1OXX-query.scw PDB file : Tito_Scwrl_1OXX.pdb: