Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKIIVTTCLLATGFLLTACGESQSSNESQQTTIQFMHSSVEQERLSVINELVADFEKENPDIKIKQVPVEESAFNTKI---VTLARSGKLPEVMEVSQDFAKVMDKDELIDQTAVQNVIEEAG----EDNYYDGAKNLVRSEDGKSYIAAPISGWVQGIWYDKEKLSEAGF---SEPENWDDILKIAQHFTDKENKQYGIAMPTAEGTMSEQAFSQFALSNGA------NVLDDEGEVT-IDTEKMREALSFYQNLSQ---YTMPGSNDVTEIKDAFMNGTAPMAIYSTYILPSVYE-AGNSENIGFAIPTQKD------QAVYGTVSGLTISSGLDEKQKEAAEAFTAFLSQPKNMEKWVLMSPGGAQPVNKQVVELDGYKENEVIKSFGELPSEIASAFDEVQVFGLVGEKNFTKMGDITSSGVIGKAVNQVTVGNEDVDQALADAQKNTK 4AQ4 Chain:A ((6-337)) -------------------------------TTIPFWHS-MEGELGKEVDSLAQRFNAENPDYKI--VPTYKGNYEQNLSAGIAAFRTGNAPAILQVYEVGTATMMASKAIK--PVYDVFKEAGIQFDESQFVPTVSGYYSDSKTGHLLSQPFNSSTPVLYYNKDAFKKAGLDPEQPPKTWQDLADYAAKL-----KASGMKCGYASGWQGWIQLENFSAWNGLPFASKNNGFDGTDAVLEFNKPEQVKHIAMLEEMNKKGDFSYVGRKD--ESTEKFYNGDCAMTTASSGSLANIREYAKFNYGVGM-MPYDADAKDAPQNAIIGGAS-LWVMQGKDKETYTGVAKFLDFLAKPENAAEWHQKT--GYLPITKAAYDL---------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4AQ4.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 : 1584 73045 46.11 239.49 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 46.11 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.476

(partial model without unconserved sides chains): PDB file : Tito_4AQ4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AQ4-query.scw PDB file : Tito_Scwrl_4AQ4.pdb: