Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSAFKRFVQQSPSTVKDNVFAVVAYCPINNLANADLGYEWQYNASRNDSNTGNLNGVSYSAGP-------QLTASKE-----IAEKFPMYLQTLNLKLPNGQQLT-----AENMPDQIKEQIKSEIERQLAKGTPVPNFGENFVSSKATLVNDWLKHDGSKVTEIDYQKFLNYVAANQALKTVVAFDAVGVNGNTAISGETNLFGDSQNEYNNFTQWSWDHNSKTADGSGQDDTGLSWENYLNSNSSTANLLKDQLKMVNPIAYLNTTTD-TAPYWYIRHGVLDRDTSFAMQMILYYAVTNDPKVKDTNFKLPYLTGHAGNYDVQEAFKWINEKLNTTQ 4JUI Chain:A ((192-466)) -----------APAT--DDIFAVSAYCPIHNLEHADMAYEWQFNGINDWHRYQPVAGTTKNGRPKFEPVSGQLTVEEQALSLALKAQFSTYLNQLKLTASDGTHLTLNEAGMGSFRDVVRQLLISSAQTAFDQGTDIHKYAGFVVT-------------GNQVTDLDLSAYLKSLT---RMKAVPAFDQLDLT-----SPENNLFGDATAKAKHFTALAQTRSTVTA------------------QLADAEL----IQAINPLSYLTTTSSQVAKHWRIRHGAADRDTSFAIPIILAIMLENHGYGID--FALPWDIPHSGDYDLGDLFSWID-------

General information: TITO was launched using: RESULT: Template: 4JUI.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 : 1159 22903 19.76 89.11 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 19.76 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.352

(partial model without unconserved sides chains): PDB file : Tito_4JUI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JUI-query.scw PDB file : Tito_Scwrl_4JUI.pdb: