Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLEIQGLKKKYNGKWVIKGIDLTINEKECVALIGPNGAGKSTMINMIVQILTQDEGQITLDGESAK----LVREKIGFLPQYPEFYGWMSATECLHFMGKLSNMEKTDLKARINEVLLLVGLEESANKKISTYSGGMRQRLGIAQAILHRPELLVLDEPVSALDPIGRREMMLLLDKLKK-EITILFSTHILKDAEEICDRIAIIKNGELVADKTVVQLMEEESSPVFDVEFNGNSEAWQTLLLQNKYVEKIEKVGMVYQVYTTNQKAGSEAVLSSLLQIDGEFIRVENRHQSLEEIFMEKVGK 1VPL Chain:A ((14-237)) -GAVVVKDLRKRIGKKEILKGISFEIEEGEIFGLIGPNGAGKTTTLRIISTLIKPSSGIVTVFGKNVVEEPHEVRKLISYLPEEAGAYRNMQGIEYLRFVAGFYASSSSEIEEMVERATEIAGLGEKIKDRVSTYSKGMVRKLLIARALMVNPRLAILDEPTSGLDVLNAREVRKILKQASQEGLTILVSSHNMLEVEFLCDRIALIHNGTIVETGTVEELKERY---------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1VPL.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -160719 for 1800 contacts (-89.3/contact) + 2D Compatibility (PS) -23543 + (NN) -7901 + (LL) 6588 1D Compatibility (HY) -17600 + (ID) 3850 Total energy: -207025.0 ( -115.01 by residue) QMean score : 0.579

(partial model without unconserved sides chains): PDB file : Tito_1VPL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VPL-query.scw PDB file : Tito_Scwrl_1VPL.pdb: