Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFPVELDNVTVAYHKKPVLQDISLQVPEGKLIGIIGPNGAGKSTLIKTILGLVPRASGDISIYGKDY--------------KDQ----RTRIGYVPQRGSVDWDFPTSPLDVVLMGRYGRIGLLKRPKKADVEMAKAALTKVGMHDYAKRQIS-QLSGGQQQRVFLARALCQNADIYFMDEPFAGVDAATERAIMTLLAELKEKGKTVLVVHHDLQTAEDYFDWILLLHLRKI-AFGPTENVFTIENLQKTYGGRLTFLKDKVLAEGHKE 1B0U Chain:A ((16-241)) ------------YGGHEVLKGVSLQARAGDVISIIGSSGSGKSTFLRCINFLEKPSEGAIIVNGQNINLVRDKDGQLKVADKNQLRLLRTRLTMVFQHFNL-WSHMTV-LENVMEAPIQVLGLSKHDAR---ERALKYLAKVGIDERAQGKYPVHLSGGQQQRVSIARALAMEPDVLLFDEPTSALDPELVGEVLRIMQQLAEEGKTMVVVTHEMGFARHVSSHVIFLHQGKIEEEGDPEQVF---------------------------

General information: TITO was launched using: RESULT: Template: 1B0U.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 : 943 -27931 -29.62 -135.59 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -29.62 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.512

(partial model without unconserved sides chains): PDB file : Tito_1B0U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1B0U-query.scw PDB file : Tito_Scwrl_1B0U.pdb: