Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSMFLDQVTIDVKAGKGGDGMVAFRREKYVPDGGPAGGDGGRGGDVILIVDEGLRTLMDFRFNRHFKAQPGENGMSKGMHGRGSEDTYVKVPQGTTVRDAETGALLGDLIENGQTLVVAKGGRGGRGNIRFASPRNPAPEIAENGEPGQERKIELELKVLADVGLVGFPSVGKSTLL-----SVISSARPKIGAYHFTTLVPNLGMVTTSDGRSFAAADLPGLIEGASQGVGLGTQFL----RHIERTRVILHVIDMSGMEGRDPYEDYLAINKELSTYNLRLLERPQIIVANKMDMPDAQENLVKFKEQLNKEKEDEFADDIPVFPISGVTRQGLDALLNATADLLEVTPE-FPLYEEELEERNCTLWIQSRRS 3R9X Chain:A ((12-190)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------VAIVGKPNVGKSTLLNNLLGTKVSIISPKAG----TTRMRVLGVKNIPNEAQIIFLDTPGIYEPKKSDV-LGHSMVEIAKQSLEEADVILFMIDAT--EGWRPRDE------EIYQNFIKPLNKPVIVVINKIDKIGPAKNVLPLIDEIHK-KHPELTE---IVPISALKGANLDELVKT---ILKYLPEGEPLFPEDM--------------

General information: TITO was launched using: RESULT: Template: 3R9X.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 : 817 45368 55.53 268.45 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 55.53 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_3R9X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3R9X-query.scw PDB file : Tito_Scwrl_3R9X.pdb: