Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADLKTQILDAYNFRHATKEFDPNKKVSDSDFEFILETGRLSPSSLGLEPWKFVVVQNPEFREKLREYTWGA----QKQLPTASHFVLILARTAKDIKYNADYIKRHLKEVK-QMPQDVYEGYLSKTEEFQKNDLHLLESDRTLFDWASKQTYIALGNMMTAAAQIGVDSCPIEGFQYDHIHRILEEE-GLLENGSFDISVMVAFGYRVRD---PRPKTRSAVEDVVKWV 1NEC Chain:A ((9-213)) --------------RHSTKAFDASKKLTAEEAEKIKTLLQYSPSSTNSQPWHFIVASTEEGKARVAKSAAGTYVFNERKMLDASHVVVFCAKTAMDDAWLERVVDQEEADGRFNTPEAKAANHKGRTYFADMHRVDLKDDDQ----WMAKQVYLNVGNFLLGVGAMGLDAVPIEGFDA----AILDEEFGLKEKGFTSLVVVPVGHHSVEDFNATLPKSRLPLSTIV---

General information: TITO was launched using: RESULT: Template: 1NEC.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 : 829 -61913 -74.68 -315.88 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -74.68 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_1NEC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NEC-query.scw PDB file : Tito_Scwrl_1NEC.pdb: