Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------MKKLLIASLIAISSSSIFAADTTASAAKNDVFKQAEQLYAAKN----YPAAFQEVQRLAQTGNAQAIYNLGYMTQM-GQGTAKDNAKALKYYEDASNKG----------YAQASYTLAQIYETGELGVAKDSNK---------------FSQYIQKAAAQGSDDATVKIATILFAQKKP----QSHQIALQKLAPLIRKGNYPAIQVKALYDISQGVENKNPLMKRQGIEALQTIAQKGYAPASMALATMMA----------NGNIIPQNLPQAKQIFTELAKQNVPN-----ARESLASVEKIIAEKNKQAAAAPTQPAPKK-------------------------------------------------------------------------- 5HIU Chain:A ((21-460)) SPEQADLVAKLKNGHLSERVLAANKLRFAVVDFPLNPVHAIWHAAKDMIHPENPDNARQASWELLIECVKYPNSTELERSEYFHTLTGPAHSKDFCYQLVALEQLTNHGRNIAGFYYEMFPLLTLWLNQAYRAARDARKLALARPASPEDKNLSQLFALVKDVIKFNFKFATDDVIAGLIDMLLKICMLTSVEDDLRACIHVIESLVTFGSIPTNKLKYCIQVLSSIHCLVPSLQKEAWHTISIICRSHHGQSTVRILLDFLRSYSPNPDKNREKDTVRDVRGALSVLQKLLRKTAEKGYPQVPLSLLVGGLANVSKSSSTRVATEILRLINSLFHGNINPILVEEHWEPIFDVAAQCATKAPTVAKENVSLQLKHLILRVENLIVHQGPELLQRDDCMKFLIRVQH

General information: TITO was launched using: RESULT: Template: 5HIU.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 : 1167 7118 6.10 25.98 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 6.10 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_5HIU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5HIU-query.scw PDB file : Tito_Scwrl_5HIU.pdb: