Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSAFKRFVQQSPSTVKDNVFAVVAYCPINNLANADLGYEWQYNASRNDSNTGNLNGVSYSAGP-------QLTASKE-----IAEKFPMYLQTLNLKLPNGQQLT-----AENMPDQIKEQIKSEIERQLAKGTPVPNFGENFVSSKATLVNDWLKHDGSKVTEIDYQKFLNYVAANQALKTVVAFDAVGVNGNTAISGETNLFGDSQNEYNNFTQWSWDHNSKTADGSGQDDTGLSWENYLNSNSSTANLLKDQLKMVNPIAYLNTTTD-TAPYWYIRHGVLDRDTSFAMQMILYYAVTNDPKVKDTNFKLPYLTGHAGNYDVQEAFKWINEKLNTTQ 3WA6 Chain:A ((191-465)) -----------APAT--DDIFAVSAYCPIHNLEHADMAYEWQFNGINDWHRYQPVAGTTKNGRPKFEPVSGQLTVEEQALSLALKAQFSTYLNQLQLTASDGTHLTLNEAGMGSFRDVVRQLLISSAQTAFDQGTDIHKYAGFVVT-------------GNQVTDLDLSAYLKSLT---RMKAVPAFDQLDLT-----SPENNLFGDATAKAKHFTALAQTRSTVTA------------------QLADAEL----IQAINPLSYLTTTSSQVAKHWRIRHGAADRDTSFAIPIILAIMLENHGYGID--FALPWDIPHSGDYDLGDLFSWID-------

General information: TITO was launched using: RESULT: Template: 3WA6.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 : 1166 25449 21.83 99.02 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 21.83 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.389

(partial model without unconserved sides chains): PDB file : Tito_3WA6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WA6-query.scw PDB file : Tito_Scwrl_3WA6.pdb: