Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLMDYEKERTERAERIRK-----GGAEKYHQSNREKGKLFVRERLSLLFDDDIELEDAFFAECMSD-------GLPADGVVTAIGKIGGQTVCVMANDSTVKAGSWGAKTVEKIIRIQEIAEKLNCPLIYLVDSAGARITDQINVFPGRRGAGRIFYNQVKLSGRIPQICLLFGPSAAGGAYIPAFCDIVVMVDGNASMYLGSPRMAEMVIGEKVSLEEMGGARMHCSISGCGDILAETEEEAIQLVRAYLSYFPANFQEKAPIHEKRPPKHFETP--LADVIPQNQNAPFDMHELIERVIDEDSFFEIKALFAPELLTGLARIHGQPVGIVANQPKVKGGVLFHDSADKAAKFITLCDAFHIPLLFLADIPGFMIGTKVEQAGIIRHGAKMISAMSEATVPKLSVIVRKAYGAGLYAMAGPAFEPDCCLALPTAQIAVMGPEAAVNAVYAKKI--AELPEEERAAFISSKREEYKEDI-NIYRLASEMIIDAVIPANSLRDELAKRLKAYMTKEMTFTNRKHPVYPV 1VRG Chain:A ((16-527)) ------RDKIEELKKIEKEIEQGGGPEKVEKQHR-AGKLTAWERLELLLDPGTFVEIDKFVEHRNTYFGLDKVKLPRDGVITGVGEINGRKVAVFSQDFTVMGGSLGEMHAKKIVKLLDLALKMGIPVIGINDSGGARIQEGVDALAGY---GEIFLRNTLASGVVPQITVIAGPCAGGAVYSPALTDFIVMVDQTARMFITGPNVIKAVTGEEISQEDLGGAMVHNQKSGNAHFLADNDEKAMSLVRTLLSYLPSNNAEEPPVED--PDTSLETPEDILDILPDNPNKGYDVRDVIKRVVDHGEFFEVQPYFAKNIVIGFARIQGKTVGIVANQPSVLAGVLDIDSSDKAARFIRFLDAFNIPILTFVDTPGYLPGVAQEHGGIIRHGAKLLYAYSEATVPKITVILRKAYGGAYIAMGSKHLGADMVLAWPSAEIAVMGPEGAANIIFKREIEASSNPEETRRKLI----EEYKQQFANPYIAASRGYVDMVIDPRETRKYIMRALEVCETKVEYRPKKKHGNIPL

General information: TITO was launched using: RESULT: Template: 1VRG.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 : 2818 20556 7.29 41.53 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : 7.29 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.485

(partial model without unconserved sides chains): PDB file : Tito_1VRG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1VRG-query.scw PDB file : Tito_Scwrl_1VRG.pdb: