Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLEIQGLKKKYNGKWVIKGIDLTINEKECVALIGPNGAGKSTMINMIVQILTQDEGQITLDG----ESAKLVREKIGFLPQYPEFYGWMSATECLHFMGKLSNMEKTDLKARINEVLLLVGLEESANKKISTYSGGMRQRLGIAQAILHRPELLVLDEPVSALDPIGRREMMLLLDKLKKE-ITILFSTHILKDAEEICDRIAIIKNGELVADKTVVQLMEEESSPVFDVEFNGNSEAWQTLLLQNKYVEKIEKVGMVYQVYTTNQKAGSEAVLSSLLQIDGEFIRVENRHQSLEEIFMEKVGK 1VPL Chain:A ((14-235)) -GAVVVKDLRKRIGKKEILKGISFEIEEGEIFGLIGPNGAGKTTTLRIISTLIKPSSGIVTVFGKNVVEEPHEVRKLISYLPEEAGAYRNMQGIEYLRFVAGFYASSSSEIEEMVERATEIAGLGEKIKDRVSTYSKGMVRKLLIARALMVNPRLAILDEPTSGLDVLNAREVRKILKQASQEGLTILVSSHNMLEVEFLCDRIALIHNGTIVETGTVEELKE-----------------------------------------------------------------------------------

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) -161562 for 1761 contacts (-91.7/contact) + 2D Compatibility (PS) -23221 + (NN) -5294 + (LL) 6796 1D Compatibility (HY) -17600 + (ID) 3950 Total energy: -204831.0 ( -116.32 by residue) QMean score : 0.586

(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: