Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAALSGGGGGGAEPGQALFNGDMEPEAGAGAGAAASSAADPAIPEEVWNIKQMIKLTQEHIEALLDKFGGEHNPPSIYLEAYEEYTSKLDALQQREQQLLESLGNGTDFSVSSSASMDTVTSSSSSSLSVLPSSLSVFQNPTDVARSNPKSPQKPIVRVFLPNKQRTVVPARCGVTVRDSLKKALMMRGLIPECCAVYRIQDGEKKPIGWDTDISWLTGEELHVEVLENVPLTTHNFVRKTFFTLAFCDFCRKLLFQGFRCQTCGYKFHQRCSTEVPLMCVNYDQLDLLFVSKFFEHHPIPQEEASLAETALTSGSSPSAPASDSIGPQILTSPSPSKSIPIPQPFRPADEDHRNQFGQRDRSSSAPNVHINTIEPVNIDDLIRDQGFRGDGGSTTGLSATPPASLPGSLTNVKALQKSPGPQRERKSSSSSEDRNRMKTLGRRDSSDDWEIPDGQITVGQRIGSGSFGTVYKGKWHG-DVAVKMLNVTAPTPQQLQAFKNEVGVLRKTRHVNILLFMGYSTK-PQLAIVTQWCEGSSLYHHLHI--IETKFEMIKLIDIARQTAQGMDYLHAKS--IIHRDLKSNNIFLHEDLTVKIGDFGLATVKSRWSGSHQFEQLSGSILWMAPEVIRMQDKNPYSFQSDVYAFGIVLYELMTGQLPYSNINNRDQIIFMVGRGYLSPDLSKVRSNCPKAMKRLMAECLKKKRDERPLFPQILASIELLARS-LPKIHRSASEPSLNRAGFQTEDFSLYACASPKTPIQAGGYGAFPVH 3PPZ Chain:A ((30-298)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DDMDIPWCDLNIKEKIGAGSFGTVHRAEWHGSDVAVKILME----AERVNEFLREVAIMKRLRHPNIVLFMGAVTQPPNLSIVTEYLSRGSLYRLLHKSGAREQLDERRRLSMAYDVAKGMNYLHNRNPPIVHRDLKSPNLLVDKKYTVKVCDFGLSRLKASF-----LSKAAGTPEWMAPEVLR---DEPSNEKSDVYSFGVILWELATLQQPWGNLNPA-QVVAAV--GFKCKRLEIPRNLNPQ-VAAIIEGCWTNEPWKRPSFATIMDLLRPLIKSAV---------------------------------------------

General information: TITO was launched using: RESULT: Template: 3PPZ.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 : 1271 -16941 -13.33 -65.66 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -13.33 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.112

(partial model without unconserved sides chains): PDB file : Tito_3PPZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ppz-query.scw PDB file : Tito_Scwrl_3PPZ.pdb: