Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTPSDRPLMAKLSAIAAYFALGEIRSYKRAPGTNHNYLVATE-EG-EYLFKIIVNTTLEDVLNGLPFLQRLQEQNFA-ATAYYLRSSSGQVFYHSPDCDAVVLQRLPGRNP-SLSPAVCHEIGVVLARLHLVPCDNLPEKRHWL-DARYLPETIEKAVNMY--------GTE----RL----R---ETL-AVIDS------LKHFQPATFPQCIIHGDLDTSNCLFEGERLVAFVDWQEVGVSAAMMDFVQTVIGFCFVEQDAGSDYWALFNSELYHALYAGYTSIRPLTPYEQAHLDAALKYVGLTQPAWSMLMWEHYHPGEQMIETNLLFWKYGLDKLTLPVL 4PDY Chain:A ((25-300)) -------------QAVVSKYDLAIQQ---RH--ADGNIEVWTDSKGRRYAAKRSSIA-PAHCRIMVQCLRHAQEQGFTKFA-RFVTTSSNAPYVRHGDFTYYVTEWVSGQPANFGLPEHVAQTAYTLAQFHEATRSFRTDWK---DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLEAERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLERG---------NWDGHLAYACFLHFDAVRNIPKSEYRAVEAILR-------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 941 -35073 -37.27 -146.14 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -37.27 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.303

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: