Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLSIESLCKSYRHHEAVKNVSFHVNENECVALLGPNGAGKTTTLQMLAGLLSPTSGTIKLLGEKKLD-------RRLIGYLPQYPAFYSWMTANEFLTFAG-RLSGLSKRKCQEKIGEMLEFVGLHEAAHKRIGGYSGGMKQRLGLAQALLHKPKFLILDEPVSALDPTGRFEVLDMMRELKK-HMAVLFSTHVLHDAEQVCDQVVIMKNGEISWKGELQELKQQQQTNVFTLSVKEKLEGWLEEKPYVSAIVYKNPSQAVFELPDIHAGRSLLSDCIRKGLTVTRFEQKTESLEDVYLKVVHA 4U02 Chain:B ((4-239)) IIRIRNLHKWFGPLHVLKGIHLEVAPGEKLVIIGPSGSGKSTLIRTINRLEDFQEGEVVVDGLSVKDDRALREIRREVGMVFQQFNLFPHMTVLENVTLAPMRVRRWPREKAEKKALELLERVGILDQARKYPAQLSGGQQQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLDVMRDLAQGGMTMVVVTHEMGFAREVADRVVFMDGGQIVEEGRPEE--------IFTRPKEERTRSFLQ------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4U02.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1227 -28782 -23.46 -126.79 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -23.46 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.504

(partial model without unconserved sides chains): PDB file : Tito_4U02.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4U02-query.scw PDB file : Tito_Scwrl_4U02.pdb: