Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLLIGYFAYKRTSNLTDYMLGGRSLGPAVTALSAGAADMSGWLLMGLPGAMFSTGLSGAWIVIGLCLGAWANWLYVAPRLRTYTEKAGNSITI-------PGFLENRFGDQTKLLRLFSGIVILVFFTFYVSSGM--VSGGVLF----NSILGMDYHTGLWIVTGVVVAYTLFGGFLAVSWTDFVQGIIMFAALILVPIVTFFHTGGA--GDTVAEIRSVDPDMFNIFKGTSVLGIISLFAWGLGYFGQPHIIVRFMAITSVKEIKRARRIGMGWMILSAVGAVLTGLGGIAYYHQRGMTLKDPETIFIQLGNILFHPIITGFLISAILAAIMSTISSQLLVTSSSLVEDLYKSMFRRSASDKELV-FLGRLAVLAVSIVALVLAWEKNNTILG----LVSYAWAGFGASFGPVVLLSLFWKRMTKWGALAGMIVGAATVIIWANAGLSDFLYEMIPGFAASLLSVFFVSILTQAPSQAVTDQFNDYQDTMSQ- 4XR7 Chain:B ((225-680)) -----------MHSLLQYRSADQLFIPNNIREDLTKKNLSILQVFPSSGKVIPSIVQDYFNLVPL------NFNNKTTLFKVFSNYDGKAYVLKRLPNIDKSMNPNKISKIYQIWSKINCTNLIKFRDIFQTTKFGDLSICLVFDYYPNSLSLYDYH------------------FVNFPKFPITNNYLWIYLVQLTNVINSIHSQNLSIGNTLN---------WRKVLITGDPGRIKL---------SHCNFMDLLFNDDTDTVVSSTIEGQQQLDYKYLGELLFNLSINIENSNNNTAPKEYRLEEITPQSIDDMRQIDDKFKDVLKYLISDNGDSKK--SIHDLTSHFYDKMFMVLESSQTYTEYMESVLSRELENGRLFRLVNKLNCIFGRIESRIDINWSESGTKFPIILFYDYVFHQVDSNGKPIMDLTHVLRCLNKLDAGIQEKLMLVTPDE----LNCIIIS------YKELKDLIESTFRSITQH

General information: TITO was launched using: RESULT: Template: 4XR7.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1487 -232892 -156.62 -570.81 target 2D structure prediction score : 0.40 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -156.62 2D Compatibility (Sec. Struct. Predict.) : 0.40 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.166

(partial model without unconserved sides chains): PDB file : Tito_4XR7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XR7-query.scw PDB file : Tito_Scwrl_4XR7.pdb: