Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSAAEMGMAETADLRTRLAPLFPGREISLRSAAAPVASPLHRAVASACVLAQ-PDGADPLFLKLAHPDMQD-DLLDTDGAAARLAARAGVAPALVLA--RPGLLGFAYLALPWR-YARTGDLQPPATLAAVLAAKKRLHEGDNLGR-RFCPFTRIAQLQAQAEAAQVPLPAETAPLLRQAALIQQALIASGMDLRFCHNHAAASNIMLNG-SQMMLVDFDIGGDNDPWYDVGALLNEVCDFDAPRRAAIEAYAGRCDEALFARCRLYGAVDDLMWGLWGFTRAVTAPRDGIEFWKYGTWRLFQARTTMTMRDFELWLRTV 4R78 Chain:A ((37-304)) -----------------------EEVLSVEQ--------L-GGMTNQNYLAKTTN--KQYIVKFFGKGTEKLINRQDEKYNLELLKDLGLDVKNYLFDIEAGIKVNEYI-ES-AITLDST--SIKTKFDKIAPILQTIHTSAKELRGEFAPFEEIKKYESLIEEQIP--YANYESVRNAVFSLEKRLADLGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESEFTSQEEETFLSHYESDQTPVSHEKIAIYKILQDTIWSLWTVYKEEQG----EDFGDYGVNRYQRAVKGLASYG--------

General information: TITO was launched using: RESULT: Template: 4R78.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 : 1228 -4742 -3.86 -18.17 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -3.86 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.270

(partial model without unconserved sides chains): PDB file : Tito_4R78.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r78-query.scw PDB file : Tito_Scwrl_4R78.pdb: