Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKGAIFLRPKQQLFITLLVILGALFNNISVSASAFNFSVTPITSENQIDKRKTYFDLQLDPDQEVEVKAELRNDTE-KEVKIDISVNSATTNSNVMVEYGKNEIEKDMSLIFDLVDYVSY-PQIVTLKPKSVQTVAFHVRM-PNER-FDGVLAGGITFQEIQTEKDQTETKDQSLSIENEYTYIIALLMQQTLNEVA--PNLTLH-EVKPDQINARNVILANVQNDQKTYINQVVIETKITKKGHSEVLYQEEKEGLQIAPNTNFSFPTALNGQPLTPGEYHLTMTVLGNENENGKFSRKKGNTTINYTNQWVFEKDFTIDGKVAKELNTTDVTIKKDNNWIYILVASLFLLFILLCILLFVLRKKEEKEK 2XG5 Chain:A ((11-198)) -----------------------------------------------------------FDGSE-KSMTLDISNDNKQLPYLAQ----AWIENENQE-------------K--IITGPVIATPPVQRLEPGAKSMVRLSTTPDISKLPQDRESLFYFNLREIPPRSE------KANVLQIALQTKIKLFYRPAA--IKTRPNEVWQDQLILNK-VS---GGYRIENPTPYYVT-VIG-LGGSEKQ-AEE---GEFETVMLSPRSEQTVKSA------NYNTPYLSYIND-YG--------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2XG5.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 : 746 31258 41.90 172.69 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 41.90 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.320

(partial model without unconserved sides chains): PDB file : Tito_2XG5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XG5-query.scw PDB file : Tito_Scwrl_2XG5.pdb: