Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIELRQLSKAIDGNQVLKDVSLTIEKGEIFGLLGRNGSGKTTMLRLIQQIIFADSGTILFDGVE---IKKHPKVKQNIIYMPVQNPFYDKYT-YKQLVDILR---RIYPKFDVTYANELMNRYEIPETKKY--RELSTGLKKQLSLVLSFAARPALILLDEPTDGIDAVTRHDVLQLMVDEVAERDTSILITSHRLEDIERMCNRIGFLEDNSL-TNVMDLDELKEEYIKIQMAFDTDVNLAIREQNIPMLDQAGVFYTVLIPKSDEEKKSFLRELKPKVWNELPVNLEEVFIAKFGGKRRW 4QC2 Chain:A ((7-231)) ----KNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQREDRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDI-KRIIEHLRDSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEILQDEHVK------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4QC2.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 : 1055 11083 10.51 51.55 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 10.51 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.509

(partial model without unconserved sides chains): PDB file : Tito_4QC2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QC2-query.scw PDB file : Tito_Scwrl_4QC2.pdb: