Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKICYVLLSLVCVFLFSGCSAGEEASGKKEDVTLRIAWWGGQPRHDYTTKVIELYEKKNPHVHIEAEFANWDDYWKKLAPMSAAGQLPDVIQMDTAYLAQYGKKNQLEDLTPYTKDG-TIDVSSIDENMLSGGKIDNKLYGFTLGVNVLSVIANEDLLKKAGVS-INQENWTWEDYEKLAYDLQEKA--GVYGSNGMHPPDIFFPYYLRTKGERFYKE-DGTGLAYQDDQLFVDYFERQLRLVKAKTSPTPDESAQIKGMEDDFIVKGKSAITWNYSNQYLGFARL----TDSPLSLYLPPEQMQEKALTLKPSMLFSIPKSSEHKKEAAKFINFFVNNEEANQLIKGERGVPVSDKVADAIKPKLNEEETNIVE-YVETASKNISKADPPEPVGSAEVIKLLKDTSDQILYQKVSPEKAAKTFRKKANEILERNN 3UOR Chain:A ((27-414)) -------------------------------KTTVRFWAMGK--EAEVVAELVADFEKQNPTIHVDVQNIPMTAAHEKLLTAFAADGLPDVCQLGNTWLPEFALLDTLEPMQPYVARSKIVDPADYFPGVWDTNLVDGTLYGVPWYVDTRLLFYRKDLLREAGYSQMP---KTWAEMEQVMAAIKRKVGPDRYAILMPLNEFEQQLSFALQQDDRLLRDHDN-YGNFRGA-GFRKALGFYDNMYQQGWAPKVSETQ-V-SNVWYEFFNGYYAFYLSGPWNVREFKLRQPPGMEGNWGTAPLPGPNGLGA-GIAGGSSLVIFKSSQHKDASWKLIEYLSQPQVQARFHAIIGDLPPRRSTWKLPS-LAN---DALAHAFGDQL-ER-V-KATPKVLEWERIVQEMRLVTERVVRGGQSHDAAVQELDQRVDEILAKR-

General information: TITO was launched using: RESULT: Template: 3UOR.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 : 2119 -160838 -75.90 -425.50 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -75.90 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.427

(partial model without unconserved sides chains): PDB file : Tito_3UOR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UOR-query.scw PDB file : Tito_Scwrl_3UOR.pdb: