Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTVLELKNVTKNIRGRTIIDDLSFTIREGEVFGFLGPNGAGKTTTIRMMVGLMKLSKGDVLICGQSITKEYAKAIKHIGAIVENPELYKFLSGYKNLQQFARMVKGVT---KEKIDEVVELVGLTDRIHDKVKTYSLGMRQRLGLAQCLLHDPKVLILDEPTNGLDPAGIREIRDHLKKLTRERGMAVIVSSHLLSEMELMCDRIAILQKGKLIDIQNV-------KDENIDENDTYFFQVEQPSEAATVLNQYDLLSKTNGVEIKLAKEEVPAVIELLVMQQIRIYEVKVITKSLEDRFLEMTGETKEEVQHA 1VPL Chain:A ((18-244)) ------VKDLRKRIGKKEILKGISFEIEEGEIFGLIGPNGAGKTTTLRIISTLIKPSSGIVTVFGKNVVEEPHEVRKLISYLPEEAGAYRNMQGIEYLRFVAGFYASSSSEIEEMVERATEIAGLGEKIKDRVSTYSKGMVRKLLIARALMVNPRLAILDEPTSGLDVLNAREVRKILKQASQE-GLTILVSSHNMLEVEFLCDRIALIHNGTIVETGTVEELKERYKAQNIEE---------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1VPL.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 : 1121 -152170 -135.74 -701.24 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -135.74 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.546

(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: