Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIHLSILDQAPV--S---KGESPVTTLQHSVELAQLSEQWGYKRYWFAEHHSTKG----LASTAPEIMIARIAAQTNTIRVGSGGVLLPQYSPFKVAETFRQLEALYPNRIDLGVGRSPGGTTKTRLALTDG---VKKSLTEFNRQLQDVSYFLTDSLP-PDHPY---AGIKAAPLI--GTAPELWVLGLGENSARRAAHQGIGYVFGHFINPER-GENAFRIYRESFRPSAHFSNPSALFTIFVICAKTDEEAEELALSQDLWLLRVGKGLDSRVPSIEEAKAHPYTASDKKLIEENRKRMVIGSPTTVKQQLLDLTGCYETNEIMVLCNVFDFEAKKESYERLAELFL 3RAO Chain:A ((21-359)) GVEYGFWLPIFGGWLRNVNDESMPPTFEYAKQTAQAAEQLGFSTTLIAELNLNDIKGVSAPSLEAWTTAAALAAVTDRLEIMTAVR-PGFHNPAVTAKMAANIDQLSNGRFTLNVVSAWWE--EEAKQYGGVFTAHDERYDRTEEFVTILKGLWKEEEFSYKGNFYELHHTHLSPKPVQKQGIKLYAGGESKRGKEVIVNHADAYVMHG-GTVEEVS-VKIEDMKNRRKKVTEEPLQSFGLAAYVICRHTEEEALEEWRRITDVK----------FVSKSQLEQ-QVKLNDYSVSNRGLRPNLIGTPEQIAERILAFE-KVGVTLLLLQFSP-----QLEEMKRFSEKVM

General information: TITO was launched using: RESULT: Template: 3RAO.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 : 1606 -136920 -85.26 -443.11 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -85.26 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_3RAO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RAO-query.scw PDB file : Tito_Scwrl_3RAO.pdb: