Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSARRSRLRRVRWLPHQRIVVLKEVDLWAEDCVTEGVDVVAERLWRMRMDASRNGRAQYLAEYLALHVDSSRHYQWLLSNY-GPSLRDVLLTSSLTPFTEERCKGVLRRVLLALDQLHRVSMYVHADVSLGNVLTSPSSC--DDVVLGDLESVSPIGAVP---RGCLGSYLFMAPERLVDGALPLAPHDDIWAFGIVCYNLLTWDVTHPWCALGTESDHSENYWAFLDLMSKAKDVPPCQLLLQSPLSRCSKEALTFVAVCLSWDPACRPSAAELLQHSWMLSP 4NIF Chain:A ((17-269)) GVGSYSECKRCVHKATNMEYAVKVIDKSK--------RDPSEEIEILLRY--GQ--HPNIITLKDVYDDGKHVY-LVTELMRGGELLDKILRQ--KFFSEREASFVLHTIGKTVEYLHSQ-GVVHRDLKPSNILYVDESGNPECLRICDFGFAKQLRAENGLLMTPCY---FVAPEVLK--RQGYDEGCDIWSLGILLYTMLAGY--TPFANGPS-----DTPEEILTR--IGSGKFT--LS-GGNWNTVSETAKDLVSKMLHVDPHQRLTAKQVLQHPWVTQ-

General information: TITO was launched using: RESULT: Template: 4NIF.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 : 1072 -53359 -49.77 -218.68 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -49.77 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.346

(partial model without unconserved sides chains): PDB file : Tito_4NIF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NIF-query.scw PDB file : Tito_Scwrl_4NIF.pdb: