Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEKKNITLTILLTNLFIAFLGIGLVIPVTPTIMNELHLSGTAVGYMVACFAITQLIVSPIAGRWVDRFGRKIMIVIGLLFFSVSEFLFGIG---KTVEMLFISRMLGGISAAFIMPGVTAFIADITTIKTRPKALGYMSAAISTGFIIGPGIGGFLA-E--VHSRLPFFFAAAFALLAAILSILTLREPERNP----ENQEI--K--------------------G--------QKTGFKRIFAPMYFIAFLIILISSFG-----LASFESLFALFVDHKFGFTASDIAIMITGGAIVGAITQVVLFDRFTRWFGEIHLIRYSLILSTSLVFLLTT----V-HSYV----AI-LLVTVTVFVGFDLMRPAVTTYLSKIAGN-EQGFAGGMNSMFTSIGNVFGPIIGGMLFDIDVNYPFYFATVTLAIGIALTIAWKAPAHLKAST 4PYP Chain:A ((63-429)) ----------------------------------------TLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKLGKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLDSIMGNKDLWPLLLSIIFIPALLQCIVL-PFCPESPRFLLINRNEENRAKSVLKKLRGTADVTHDLQEMKEESRQMMREKKVTILELFRSPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEK-AGVQ--QPVYATIGSGIVNT-AFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALALLEQLPWMSYLSIVAIFGFVAF-FEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLC--------------------------------

General information: TITO was launched using: RESULT: Template: 4PYP.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 : 1059 -137518 -129.86 -442.18 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -129.86 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.294

(partial model without unconserved sides chains): PDB file : Tito_4PYP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PYP-query.scw PDB file : Tito_Scwrl_4PYP.pdb: