Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------MRLMINKSMKNIYIMGLLLACSGFAMAETVTQ----------QPTGQPVRTASNPNAIRIVTRPEIMGLW----------GMEIPNNKKCVEYYNFRS----SNDVVIKSG--EEWSYGIYEYQPS------DDPKEQLSALVMQIKFDNNKVDCSGQKQDQTGDISQYFVQWKNDH--------TINFCSTAKGEQCFATLRRMLP----------- 3HK0 Chain:A ((8-250)) KQDVKVFSEDGTSKVVEILADM-TARDLCQLLVYKSWTLVEHHPHLGLERCLEDHELVVQVESTMASESKFLFRKNYAKYEFFKNPMNFFPEQMVTWSQQSLLQNFLNSSSSPEIQGFLHVKELGKKSWKKLYVCLRRSGLYCSTKGTSAAPRHLQLLADLEDSNIFSLIAGRKQYNAPTDHGLCIKPNKVRNETKELRLLCAEDEQTRTSWMTAFRLLKYGMLLYQNYRI

General information: TITO was launched using: RESULT: Template: 3HK0.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 : 571 -1297 -2.27 -7.81 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -2.27 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.146

(partial model without unconserved sides chains): PDB file : Tito_3HK0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HK0-query.scw PDB file : Tito_Scwrl_3HK0.pdb: