Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDSIEKVSKNLIEEAYLTKASDIHIV----PRER-DAIIHFRVDHALLKKRDMKKEECVRLISHFKFLSAMDIGERRKPQNGSLTLKLK-EGNVHLRMSTLPTINEESLVIRVMPQYNIPSIDKLSLFPKTGATLLSFLKHSHGMLIFTGPTGSGKTTTLYSLVQYAKKHFNRNIVTLEDPVET----RDEDVLQVQVNEKAGVTYSAGLKAILRHDPDMIILGEIRDAETAEIAVRAAMTGHLVLTSLHTRDAKGAIYRLLE-FGINMNEIEQTVIA-----IAAQRLVDLACPFCENGCSSVYCRQSRNTRRASVYELLYGKNLQQCIQEAKGNHANYQYQTLRQIIRKGIALGYLTTNNYDRWVYHEKD 2EWW Chain:A ((18-347)) ----------IIKEAIELGASDIHLTAGAPPAVRIDGYIKFLKDFPRLTPEDTQK---------LAYSVMSEKHRQKLEENGQVDFSFGVRGVGRFRANVFYQRGSVAAALRSLPA-EIPEFKKLGLPDK----VLELCHRKMGLILVTGPTGSGKSTTIASMIDYINQTKSYHIITIEDPIEYVFKHKKSIVNQREVGEDTK-SFADALRAALREDPDVIFVGEMRDLETVETALRAAETGHLVFGTLHTNTAIDTIHRIVDIFPLNQQEQVRIVLSFILQGIISQRLL----PKIGGGRVLAYELLIPNT---AIRNLIRENKLQQVYSLMQ-------MQTMNQTLYKLYKQGLITLED----------

General information: TITO was launched using: RESULT: Template: 2EWW.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 : 1525 35415 23.22 115.36 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 23.22 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_2EWW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2EWW-query.scw PDB file : Tito_Scwrl_2EWW.pdb: