Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEHQAVIQTDIAKGTINKNIYGHFAEHLGRGIYEGIWVGTDSDIPNINGIRKDVLEALKQLHIPVLRWPGGCFADEYHWANGVG---DRKTMLNTHWGGTIESNEFGTHEFMMLCELLECEPYICGNVGSGTVQEMSEWIEYMTFEEGTPMSDWRKQNGREEPWKLKYFGVGNENWG--CGGNMHPEYYADLYRRFQTYVRNYSGNDIYKIAGGANVDDFNWTDVLMKKAAGLMDGLSLHYYTIPGDFWKGKGSATEFTEDEWFITMKKAKYIDELIQKHGTIMDRYDPEQRVGLIIDEWGTWFDPEPGTNPGFLYQQNTIRDALVAASHFHIFHQHCRRVQMANIAQTVNVLQAMILTEGERMLLTPTYHVFNMFKVHQDASLLATETMSADYEWNG-----------ETLPQISISASKQAEG-DINITICNIDHQNKAEAEIELRGL--HKAADHSGVILTAEKMNAHNTFDDPHHVKPESFRQYTLSKNKLKVKLPPMSVVLLTLRADS 3UG3 Chain:D ((36-474)) ----------------ISRHIYGHFTEHLGRCIYGGIY-EEGSPLSDERGFRKDVLEAVKRIKVPNLRWPGGNFVSNYHWEDGIGPKDQRPVRFDLAWQQE-ETNRFGTDEFIEYCREIGAEPYISINMGTGTLDEALHWLEYCNGKGNTYYAQLRRKYGHPEPYNVKFWGIGNEMYGEWQVGHMTADEYARAAKEYTKWMKVFDPT-IKAIAVGC--DDPIWNLRVLQEAGDVIDFISYHFYTGSDDYY--ETVSTVYLLKERLIGVKKLIDMVDTARKRG-----------VKIALDEWNVWYR----VSDNKLEEPYDLKDGIFACGVLVLLQKMSDIVPLANLAQLVNALGA-IHTEKDGLILTPVYKAFELIVNHSGEKLVKTHVESETYNIEGVMFINKMPFSVENAPFLDAAASISEDGKKLFIAVVNYRKEDALKVPIRVEGLGQKKATVYT---LTGPDVNARNTMENPNVV---------------------------------

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 D - contact count / total energy / energy per contact / energy per residue : 2466 -436 -0.18 -1.04 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain D : 0.75 3D Compatibility (PKB) : -0.18 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.480

(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: