Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHYEIVLLVHPDQSDQVVGMVERYISQIKEADGQIHRLEDWGRRQLAYPINKIHKAHYILMNVECGQSTLDELEELFRYNDAIIRNLIIRREHAITEESLLAKSAEEKRARKAQREEAQQVAQEAE 4A2I Chain:F ((1-100)) MRHYEIVFMVHPDQSEQVPGMIERYTAAITGAEGKIHRLEDWGRRQLAYPINKLHKAHYVLMNVEAPQEVIDELETTFRFNDAVIRSMVMRTKHAVTEAS---------------------------

General information: TITO was launched using: RESULT: Template: 4A2I.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 : 402 -60012 -149.28 -600.12 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain F : 0.90 3D Compatibility (PKB) : -149.28 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_4A2I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A2I-query.scw PDB file : Tito_Scwrl_4A2I.pdb: