Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKFVAELIGTFMLVFVGTG-AVVFGNGLDGLGHLGIAFAFGLAIVVAAYSIGTVSGAHLNPAVSIAMFVNKRLSSSELVNYILGQVVGAFIASGAVFFLLANSGMSTASLGENALANGVTVFGGFLFEVIATFLFVLVIMTVTSESKG-NGAIAGLVIGLSLMAMILVGLKITGLSVNPARSLAPAVLVGGAALQQVWIFILAPIAGGVLAALVAKNFLGTEE 4NEF Chain:A ((11-218)) -RAVFAEFLATLLFVFFGLGSALNWPQALPSV--LQIAMAFGLGIGTLVQALGHISGAHINPAVTVACLVGCHVSVLRAAFYVAAQLLGA-VAGAALLHEITPADIR-GDLAVNALSNSTTAGQAVTVELFLTLQLVLCIFASTDERRGENPGTPALSIGFSVALGHLLGIHYTGCSMNPARSLAPAVVTG--KFDDHWVFWIGPLVGAILGSLL---------

General information: TITO was launched using: RESULT: Template: 4NEF.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 : 1136 -179595 -158.09 -871.82 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -158.09 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_4NEF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NEF-query.scw PDB file : Tito_Scwrl_4NEF.pdb: