Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHYEIVLLVHPDQSDQVVGMVERYISQIKEADGQIHRLEDWGRRQLAYPINKIHKAHYILMNVECGQSTLDELEELFRYNDAIIRNLIIRREHAITEESLLAKSAEEKRARKAQREEAQQVAQEAE 5NO4 Chain:F ((1-105)) MRHYEIVFMVHPDQSEQVPGMIERYTAAITGAEGKIHRLEDWGRRQLAYPINKLHKAHYVLMNVEAPQEVIDELETTFRFNDAVIRSMVMRTKHAVTEASPMVKA----------------------

General information: TITO was launched using: RESULT: Template: 5NO4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 382 -48892 -127.99 -465.63 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain F : 0.91 3D Compatibility (PKB) : -127.99 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.576

(partial model without unconserved sides chains): PDB file : Tito_5NO4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5NO4-query.scw PDB file : Tito_Scwrl_5NO4.pdb: