Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDGPGSDPIDRALAAAFPDREVDRLTGVGPSWNGANETVDVAFADGGRAFLKVALADE-SNRLARARAVLRYVGAHGQLPVPEVLAADP-DGDPAYLATAPAPGRGLLDV-YEAASDDERERLLRRVGRVLAALHADRFASHGEIVGAGTERGSVAEGAATAGPDAQTGLAIEFAPWTDVLLATVERTREIGTSERLADHYDAVVDCVRANRD--LLDDAPAALLHGDVTKPNLFVTA---EGDGADATDGPGVAAIDWELSHVGDPARDLVRAEDQLLNGFDSTGPERFAAALREGYRERAGGLPAGFERRRPVYEVVRMLGRSGFVDQWVPYLDEPLDALVDRADAELRARLDAV 3TDW Chain:A ((4-274)) ----NKLHYTTMIMTQFPDISIQSVESL--GEGFRNYAILV---NG-DWVFRFPKSQQGADELNKEIQLLPLLVGCVKVNIPQYVYIGKRSDGNPFVGYRKVQGQILGEDGMAVLPDDAKDRLALQLAEFMNELSAFPVETAISAGVPV------------------TNLKNKILLLSEAVEDQVFPLL----DE---SLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQT--------PLTGIIDFGDAAISDPDYDYVYLLEDCG--------E-LFTRQVMAYRGEVD-LDT-HIRKVSLFVTFDQVSYL--------------------------------

General information: TITO was launched using: RESULT: Template: 3TDW.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 -13153 -11.28 -50.01 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -11.28 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.256

(partial model without unconserved sides chains): PDB file : Tito_3TDW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3tdw-query.scw PDB file : Tito_Scwrl_3TDW.pdb: