Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLQSLFLGILIIIAVLLLGVRQLEKTSGMSGAKVLTIYNWGDYIDPSLITKFEKEYGYKVNYETFDSNEAMFTKIQQGGTNYDIAIPSEYMIQKMIKEKLVLPLDHSKIKGLNNIDPRFLDL-DFDPDNQYSIPYFWGTLGIVYNDKFFDANQIKHWDDLWKPELKDSLMLIDGAREVMGLSLNSLGYSLNSKNMAQLTEAANKLNH-LTPNVKAIVADEIKMYMINEEASVAVTFSGEAADMM--WENEHLHYVIPPE-GSNLWFDNIVMPKTVKNKEGAYDFINFMLEPENAAQNAEYIGYSTPNEEAKALLPKDISSDEQFYPSDDTISHLEVYKDLGSKYLGIYNDLFLEFKMYRR 2V84 Chain:A ((25-342)) ----------------------------------DVLYLYNWTYYTPTSLIKKFEQQYNVQVVYDDYASNEDMFAKLSIGASGYDLVVPSGDFVSIMKRKHLLEKIDLSKIPNVQFIKESVRARIAYDPKMEYSVPYYLGAAGIAVNKKAVPS-YARTWSIFSRKDLAYRMSMMDDMREVMGAALASLGYNVNTKNEQELAQAAILVTDHWKPNLVKFDSDGYAKSFASGDFVVAHGFAEAFFAETPEAMHEHIDFFIPQDVASPVYVDSFCIPKGARNRDLAHAFINFFLEPAHYAEFLDTFGFPSTIHREAAAYQK-----KTPYYSEHDLERGTLKTDVG-AAIEHYNAHWNAVRF---

General information: TITO was launched using: RESULT: Template: 2V84.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 : 1738 -36973 -21.27 -118.12 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -21.27 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_2V84.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2V84-query.scw PDB file : Tito_Scwrl_2V84.pdb: