Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---GRRVPVKRPQSRTRAPDPPKEDRKPISCVVKMCES------VGDGKRSKVRCIERQKLYPGG----SHTFQEDGKNSITVSLDGNCNKSLSGRT--------NNPRIGFVVEKLYRPEDPLLAAISKYFEP-PRAPHYQ 1WIF Chain:A ((1-126)) GSSGSSGSKNEKEQLSKAKASVSSLNKVIQTKLTVGNLGLGLVVIQNGPYLQIS-----HLINKGAAASDGILQPG--DVL-ISVGH---ANVLGYTLREFLKLLQNITIGTVLQIKAYRGFLEIP-----QEWQDSGPSSG

General information: TITO was launched using: RESULT: Template: 1WIF.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 : 335 7498 22.38 72.10 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 22.38 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_1WIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1WIF-query.scw PDB file : Tito_Scwrl_1WIF.pdb: