Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNRRHSAPLALLQRATSFYDEQRKSNRDKEYPMDSLKQLLQEQYQL-QAQTISPQKGGWAALAYRVETKKHTYFLKMYEKSRTSTPKWTALIDEYVPALIWLNEQNDLNGKVPVPILTKNGQCKCENDKGIFLLYEHIEGETIGPQQ---L----TNDQVEQLATIIAALHAIGEETAPIATAQLKEDFSLPFAVSLYKLLTEQLATLPDDIQTTIAPFSQPLLSLIESTEKRANTLKQRPLRYALCHTDLHHWNLMTSQ--GE-LVLIDWEGLKLAPVEADMMFVVD------ECYNNAFMDHYRKRHLDYVIDQECLAFYQGRRKLEDIWEFLEQLLFDEQKPTERAAILEGLEKELEAVAKACL 3N4U Chain:A ((3-258)) -----------------------------TYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEI---NRDFIFKFPKHSRG-----STNLFNEVNILKRIHNKLPL--PIPEVVFTGMPS---ETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFK-SN--LVLDFREKINEDN-KKIKKLLS---RELK---GPQMKKVDDFYRDI---LENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIP--------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3N4U.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 : 983 -20395 -20.75 -85.33 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -20.75 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.300

(partial model without unconserved sides chains): PDB file : Tito_3N4U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3n4u-query.scw PDB file : Tito_Scwrl_3N4U.pdb: