Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEHQAVIQTDIAKGTINKNIYGHFAEHLGRGIYEGIWVGTDSDIPNINGIRKDVLEALKQLHIPVLRWPGGCFADEYHWANGVGD---RKTMLNTHWGGTIESNEFGTHEFMMLCELLECEPYICGNVGSGTVQEMSEWIEYMTFEEGTPMSDWRKQNGREEPWKLKYFGVGNENWGCG--GNMHPEYYADLYRRFQTYVRNYSGNDIYKIAGGANVDDFNWTDVLMKKAAGLMDGLSLHYYTIPGDFWKGKGSATEFTEDEWFITMKKAKYIDELIQKHGTIMDRY--DPEQRVGLIIDEWGTWFDPEPGTNPGFLYQQNTIRDALVAASHFHIFHQHCRRVQMANIAQTVNVLQAMILTEGERMLLTPTYHVFNMFKVHQDASLLATETMSADYEWN-----------GETLPQISISASKQAEG-DINITICNIDHQNKAEAEIELRGLHKAADHSGVILTAEKMNAHNTFDDPHHVKPESFRQYTLSKNKLKVKLPPMSVVLLTLRADS 3UG3 Chain:A ((22-503)) --SYGIVVDPKEVVKPISRHIYGHFTEHLGRCIYGGIYEEGS-PLSDERGFRKDVLEAVKRIKVPNLRWPGGNFVSNYHWEDGIGPKDQRPVRFDLAWQQ-EETNRFGTDEFIEYCREIGAEPYISINMGTGTLDEALHWLEYCNGKGNTYYAQLRRKYGHPEPYNVKFWGIGNEMYGEWQVGHMTADEYARAAKEYTKWMKVFD-PTIKAIAVGCD--DPIWNLRVLQEAGDVIDFISYHFYTGSDDYY----ET--VS---------TVYLLKERLIGVKKLIDMVDTARKRGVKIALDEWNVWYRVSDNK-L---EEPYDLKDGIFACGVLVLLQKMSDIVPLANLAQLVNALG-AIHTEKDGLILTPVYKAFELIVNHSGEKLVKTHVESETYNIEGVMFINKMPFSVENAPFLDAAASISEDGKKLFIAVVNYRKEDALKVPIRVEGLG-QKKATVYTLTGPDVNARNTMENPNVVDITSETI--TVDTEFEHTFKPFSCSVIEVEL--

General information: TITO was launched using: RESULT: Template: 3UG3.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 : 2766 18468 6.68 39.89 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : 6.68 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_3UG3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UG3-query.scw PDB file : Tito_Scwrl_3UG3.pdb: