Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIGFFDSGIGGMTVLYEAIKVLPYEDYIFYADTLNVPYGEKSKGKVKEYIFNAAEFLASQNIKALVIACNTATSIAIEDLRRNFDFPIIG-IEPAVKPAINKCTEERKRVLVVATNLTLKEEKFHNLVKEIDHHDLVDCLALPGLVEFAENFDFSEDKIIKYLKNELSSFDLKQYGT--------IVLGCTHFPFFKNSFEKLFGIKVDMISGSVGTAKQLKKVLADRNQLGKGSGSITFFNSGHKIVDQEVISKYKRLFEILDETQRSHVGH 2W4I Chain:E ((1-195)) MKIGVFDSGVGGFSVLKSLLKARLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHEIELLIVACNTASALALEEMQKYSKIPIVGVIEPSILAIKRQVEDKNAPILVLGTKATIQSNAYDNALKQQGYLN-ISHLATSLFVPLIEE---------SILEGELLETCMHYYFTPLEILPEVIILGCTHFPLIAQKIEGYF---------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2W4I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 965 -83511 -86.54 -448.98 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain E : 0.74 3D Compatibility (PKB) : -86.54 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.530

(partial model without unconserved sides chains): PDB file : Tito_2W4I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2W4I-query.scw PDB file : Tito_Scwrl_2W4I.pdb: