Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFTTYTTFPEQTSNESLWILVDSEQLQSNLNTYQINNLESILTATQFKANFNETLPLFGQLSTQPHSQLLGLGKAAELQAAKLAKLAQTIIKSAQNKFKHIAIDIAALPVEYHY------LFALSLTQA----AYGYDEFKSTKNEFVLQQVDLISSQTSLDENQLALVHAVQSGQSYARDLGNRPGNICFPEYLAEQALALAAEFPDLLKVTVLNEQQMADLGMYAFLAVSKGSERPGRIVTLEYQAQLE-QAPVVLVGKGVTFDTGGISLKPGLGMDEMKFDMCGAASVLGTIRALCEARLPIHVVGAIAAAENMPSGKATRPGDIVTTMSGQTVEILNTDAEGRLVLCDTLTYIKRFNPAVVIDIATLTGACVVALGKVLSGLFSPDDTLAAELQQAGEQSFDRVWRMPVIDDYQELLDSPFADIANIGGPH-GGAITAACFLERFTRDYRWAHLDVAGTAWLSGSAKGATGRPVPLLMQFLANRVSTNG 3PEI Chain:A ((18-482)) --------------------IVAQENLQKLVEQT--------LDRRIFKAKSGEVLPL---LHGDKIVILLGLGLRQDFIASEYDK----IIAKAAEQLKKLAIKEISVDIDYAFENDNVKQFTLDTVRALISETYVFDQLKTEKENYSLEQIELVYSGDQDIEDSAKIGSAIACGQNYAKDLQNLPANICTTDYMLNEARELTSKYA-TFSLDYLDQDAMAELGMGCALAVGRGSYMSNYTVCMEYKGGNEGDAPIVLVGKGLVFDNG------------MKMDMGGVAAVMGTMKAIAMLNLPVNVVGVMGLAEN------YRPGDVLKSMKGITVEVSNTDAEGRLVLCDTLTYIGKYKPKAVIDLATLTGAMIISLGDAYSGMFANSDKLANSLEQAANASNDLIWRLPLHKPYLKKIESKVADMDNCGRDRSAGSIVAALFLSKFTEDYEWAHLDIAGSAMGD-ASCKASGRPVPLLVHYLISQAKEN-

General information: TITO was launched using: RESULT: Template: 3PEI.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 : 2526 -48141 -19.06 -113.01 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -19.06 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_3PEI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PEI-query.scw PDB file : Tito_Scwrl_3PEI.pdb: