Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKQPGQAVSWQEQRLEQAIAAMSDWQNKTIHYRPVSGGISNANWHVAVEGAPCAYFVKIPGEGTERFINR-DTAHEASLKAAQTGYGVPVVAYLRDL--GVEVFEFIDGWRASSNLDFQQQGIRHRALHALKSFND-QPLL-TEDKTVFDMLGEH--IEQVRSLQAPFSADAVWLHKQAQR-----AQQALEAAGLDRVPCMNDTLAGNFMLNASNDIRLVDFEYASNNDRCYELALWFGEMFFTPQIELELLEDYFGKVDAAIFARVQIHKYLADMKWSTWAIIQHQVADIDFDFSKYGRWKELRARSVLNHPDWENWLRAL 4R77 Chain:B ((-1-276)) ----------HMEKIIKEKISSLL-----VLSVEQL-GGMTNQNYLAKTTNK--QYIVKFFGKGTEKLINRQDEKYNLEL---LKDLGLDVKNYLFDIEAGIKVNEYIE-----SAITLDSTSIKTK-------FDKIAPILQTIHTSAKELRGEFAPFEEIKKYESLIEEQIPYANYESVRNAVFSLEKRLADLGVDRKSCHIDLVPENFIESPQGRLYLIDWEYSSMNDPMWDLAALFLESEFTSQEEETFLSHYESDQTPVSHEKIAIYKILQDTIWSLWTVYKEEQGE---DFGDYGVNRYQRA----------------

General information: TITO was launched using: RESULT: Template: 4R77.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1159 26183 22.59 100.70 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : 22.59 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.144

(partial model without unconserved sides chains): PDB file : Tito_4R77.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4r77-query.scw PDB file : Tito_Scwrl_4R77.pdb: