Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPTEPDKRALAEFISTVVGSPATELVPLPGSVANLDYLVRAADHRRFIVKIGPRSEMV----------AEAWACRRLARIGVPVPEVVSLEQDHGDAGVAV------LILSFLPGVPSDAPVIF---GEAGRAIRHVHAQQLPGWGPLIVEADGHRARGRFDSWREY--------VLDELSGLPELVTAGVIDA--RLAVAARDCVAVEEVLGYRGQGVLLHNDLKPAHLFALEDGGQMRLAGIIDWGDAGVGDPLVDLARLSMSGPEALQAFSAGYGIELTPTLHRTLARYRILHNVGALAYEHRAGGDWFDLYRERVRRDTELLVDLAAPS 3W0Q Chain:A ((15-237)) ------------------------LIEKFGSVSDLMQLSEGEESRAFSFDVGGRGYVLRVNSCADGFYKDRYVYRHFASAALPIPEVLDIGEFSESLTYCISRRAQGVTLQDLP--ETELPAVLQPVAEVMDAIAAADLSQTSGFGPF-----GPQGIGQYTTWRDFICAIADPHVYHWQTVMDDTVSASVAQALDELMLWAEDCPEVRH---------LVHADFGSNAV--LTDNG--RITAVIDWSEAMFGDPLYEVANIFFWRP------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3W0Q.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 : 637 -32337 -50.76 -166.69 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -50.76 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.142

(partial model without unconserved sides chains): PDB file : Tito_3W0Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3w0q-query.scw PDB file : Tito_Scwrl_3W0Q.pdb: