Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGNTNGDSAFNKRTIAAALANYIDAGSIVAGSAGLSLWVSYLKLSDTQIGLLGALSANAISAAVGALLGGFLADKVGRKAVYTNSMLVYALGICLVLFGVNFPMLLSGYIIIGLSVGADITASWTIIAENAPKKNRARHCGVAQVAWAAGAVVVLLLSVLAGDLG----LLGNKIVFAHLLVIALITYILRIRLPESDAWQTKNQPEEAQAEKPAVLNKTSYFD------------------LLKPMYLKSILFLMGVYLVWNLAAGVMG--FFMPYIYQQVG-GVSANMANLLQMGLFIFTGLGVALIFMPFADKYRKTVFG----IAAF--MAVIGWTLFLLPVEGLPI--LLLFIVVIGINNGAGQQANYQLWA--SEIFPTQYRASAQGLMFFLVRISIGIWSLFVPMIITNFGIGTMAAILLGCVTASMIIGLLFAPNTSGKSLEQIQEELYGSPQSQVKKGTESKIM 4LDS Chain:A ((37-427)) -----------------------------------------IPLNSTTEGIV--VSSMLIGAIVGAGSSGPLADKLGRRRLVMLIAIVFIIGALILAASTNLALLIIGRLIIGLAVGGSMSTVPVYLSEMAPTEYRGSLGSLNQLMITIGILAAYLVNYAFADIEGWRWMLGLAVVPSVILLVGI--YF----MPESPRWLLENRNEEAARQVMKITYDDSEIDKELKEMKEINAISESTWTVIKSPWLGRILIVGCIFAIFQQFIGINAVIFYSSSIFAKAGLGEAASILGSVGIGTINVLVTIVAIFVVDKIDRKKLLVGGNIGMIASLLIMAILIWTIGIASSAWIIIVCLSLFIVFFGISWGP------VLWVMLPELFPMRARGAATGISALVLNIGTLIVSLFFPILSDALSTEWVFLIFAFIGVLAMIFVIKFLPETRG---------------------------

General information: TITO was launched using: RESULT: Template: 4LDS.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 : 1537 -202707 -131.88 -569.40 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -131.88 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.276

(partial model without unconserved sides chains): PDB file : Tito_4LDS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LDS-query.scw PDB file : Tito_Scwrl_4LDS.pdb: