Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPQKTKNTPMMEQYLSIKAQYQDAFLFYRLGDFYELFYEDAIKASQLLELTLTSRNRNAEEPIPMCGVPHHAAQGYIDALIEKGYKVAICEQVEDPKTTKGMVKREVIQLVTPGTVMDSKGLSAKDNNFLTAVVSQGNEFGFAYADLSTGELKTARLHDEEAVLNEASALQTKELVLGSEITD--TLREQLSGRLGLVFSQQNEMEENAEFSFLTSELVDPLE-KEATGKLLTYLSVTQKRSLAHIQKAVEYQPDHFLKMDYYSKFNLELSQSIRTGKKHGTLLWLLDETKTAMGGRLLKQWLDRPLIQAKQIKARQEMVASLLDSYFERIDLQSALTKVYDLERLAGRVAFGNVNGRDLIQLKTSLEQVPMIRGLIEGIDQGQWQSLLSEMQPMDHLVQLIDQAIQDDPPLQITEGNIIKDGFNEQLDMYRSAMRNGKKWLAELEAKERQETGIKNLKIGFNRVFGYYIEITKANLGNAELEKYERKQTLANAERFITPELKELETQILEAEEKSVDLEYQLFLAVREEVKKAIQPLQVLAKAISAVDVLQSFATISERYQYVRPELVSDKHQLLIKDGRHPVVEKVLGHQEYIPNSVEMAEDEMILLITGPNMSGKSTYMRQLALTVLMAQMGCFVPAKQAVLPIFDRIFTRIGASDDLIAGQSTFMVEMMEANQALRYATPNSLILFDELGRGTATYDGMALAQAIIEYIHRHVQAKTLFSTHYHELTVLEKELPQLKNVHVGAVEKDGEVVFLHKMMDGPADKSYGIHVAKIAGLPSNLLERAADILHTLENGDNGHHTVPAEVEEKTKTAKQEQIKPPAEKVNQDHIQDRVKEENQQLSLFSELSENETEVIESLKQINLLEMTPMDALNTLYELQKQL 1EWQ Chain:A ((15-752)) --------PLLQQYVELRDQYPDYLLLFQVGDFYECFGEDAERLARALGLVLTHKT-SKDFTTPMAGIPLRAFEAYAERLLKMGFRLAVADQVEPAEEAEGLVRREVTQLLTPGTLL-QESLLPREANYLAAIAT-GDGWGLAFLDVSTGEFKGTVLKSKSALYDELFRHRPAEVLLAPELLENGAFLDEFRKRFPVMLSEAP-FEPEGE---------GPLALRRARGALLAYAQRTQGGALS-LQPFRFYDPGAFMRLPEATLRALEVFEPLRG---QDTLFSVLDETRTAPGRRLLQSWLRHPLLDRGPLEARLDRVEGFVREGALREGVRRLLYRLADLERLATRLELGRASPKDLGALRRSLQILPELRALL-GEEVG-----LPDLSPLK---EELEAALVEDPPLKVSEGGLIREGYDPDLDALRAAHREGVAYFLELEERERERTGIPTLKVGYNAVFGYYLEVTRPYYERVPKE-YRPVQTLKDRQRYTLPEMKEKEREVYRLEALIRRREEEVFLEVRERAKRQAEALREAARILAELDVYAALAEVAVRYGYVRPRF-GDRLQ--IRAGRHPVVER---RTEFVPNDLEMAHE--LVLITGPNMAGKSTFLRQTALIALLAQVGSFVPAEEAHLPLFDGIYTRIGA------GKSTFMVEMEEVALILKEATENSLVLLDEVGRGTSSLDGVAIATAVAEALHER-RAYTLFATHYFELTAL--GLPRLKNLHVAAREEAGGLVFYHQVLPGPASKSYGVEVAAMAGLPKEVV----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1EWQ.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 : 3801 -69861 -18.38 -95.83 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -18.38 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.461

(partial model without unconserved sides chains): PDB file : Tito_1EWQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1EWQ-query.scw PDB file : Tito_Scwrl_1EWQ.pdb: