Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDGPGSDPIDRALAAAFPDREVDRLTGVGPSWNGANETVDVAFADGGRAFLKVALAD-ESNRLARARAVLRYVGAH--GQLPVPEVLAADPDGDPAYLATAPAPGRGLLDV-YEAASDDERERLLRRVGRVLAALHADRFASHGEIVGAGTERGSVAEGAATAGPDAQTGLAIEFAPWTDVLLATVERTREIGTSERLADHYDAVVDCVRANRDLLDDAPAALLHGDVTKPNLFVTAEGDGADATDGPGVAAIDWELSHVGDPARDLVRAEDQLLNGFDSTGPERFAAALREGYRERAGGLPAGFERRRPVYEVVRMLGRSGFVDQWVPYLDEPLDALVDRADAELRARLDAV 5IQI Chain:C ((9-279)) --ATNVKAMKYLIEHYFDNFKVDSIEII--GSGYDSVAYLVN----NEYIFKTKFSTNKKKGFAKEKAIYNFLNTNLETNVKIPNIEYSYISDELSILGYKEIKGTFLTPEIYSTMSEEEQNLLKRDIASFLRQMHGLDYTDISECTIDN--------------------KQNVLEEYILLRETIYNDL-----TDIEKDYIESFMERLNATT--VFEGKKCLCHNDFSCNHLLLDGNN--------RLTGIIDFGDSGIIDEYCDFIYLLEDSEEEIG----TNFGEDILRMYGNI---DIEKAKEYQDIVEEYYPIETI--------------------------------

General information: TITO was launched using: RESULT: Template: 5IQI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1164 -1375 -1.18 -5.15 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain C : 0.66 3D Compatibility (PKB) : -1.18 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.312

(partial model without unconserved sides chains): PDB file : Tito_5IQI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5iqi-query.scw PDB file : Tito_Scwrl_5IQI.pdb: