Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVMTKKDTNISTQQPLWLQGYIDSPEKQNQLYKKTLKILIFSQIFGGAGLGAGITVGALLAQ-DMIGSENVAGIPTALFTFGSAVAALLIGASSQRFGRRAGLAGGFLIGGLGAIGVIIAALINSVALLFVSLLIYGAGMASNLQVRYAGTDLANEKQRATAASMALVSTTLGAVVGPNLVNTMGEFADSIGVPNLAGPFIMSGAAFIIAGIILLIFLRPDPLFVSTAIANAEKKDDKVQIGGSLKNP-AIDKKGIMVGAVIMILAQLIMTAIMTMTPVHMGHHGHGLSEVG---LVIGLHIAAMYLPSPLTGLLVDKFGRTTMAIASGATLLAAGLVAAIAPADSLSLLILALVLLGVGWNFGLLTGTALIIDSTHPSLRAKTQGTFDVLLALSGAAGGALSGMVVAHSSYTILSISGAVLSLLLIPVVIWYFRRIQEKA 3WDO Chain:A ((13-383)) ----------------------------------ATWGLGTVFSLRMLGMFMVLPVLTTYGMALQGASEALIGIAIGIYGLTQAVFQIPFGLLSDRIGRKPLIVGGLAVFAAGSVIA---ALSDSIWGIILGRALQGSGAIA-AAVMALLSDLTREQNRTKAMAFIGVSFGITFAIAMVLGPIITH---KLGLH---ALFWMIAILATTGIALTIWVVPNSSTHVLN-R---E------SGMVKGSFSKVLAEPRLLKLNFGIMCLHMLLMSTFVALPGQLADAGFPAAEHWKVYLATMLIAFGSVVPFIIYAEVKRKMKQ--VFVFCVGLIVVAEIVLWN-AQTQFWQLVVGVQLFFVAFNLMEALLPSLISKESPAGYKGTAMGVYSTSQFLGVAIGGSLGGWIDGMFDGQGVFLAGAMLAAVWLA-------------

General information: TITO was launched using: RESULT: Template: 3WDO.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 : 1877 -271099 -144.43 -740.71 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -144.43 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.263

(partial model without unconserved sides chains): PDB file : Tito_3WDO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WDO-query.scw PDB file : Tito_Scwrl_3WDO.pdb: