Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAELENRKQFAQMLAPGVKTLKLHPDYKVRRKKNEKTGQSYIDKIALQLGVSPNTIKSWIGQMGANYIPGRIDDGKLFGMIWIILEKTDLDIEWLTDLLEAT-TIPVIKPALPVWAASCLKKA-KILRKDGLFGAPSEGEIENVVKRLFHDRPGQETNALTEQPITHNLPSRWSGRFI-----------GRSFDMEAIRQWMLS----PSPVCLITGWAGMGKTTIALEAAYSCVDDTSVWPAFNSIIWVSAD-----WKGLSFSDFLNTIAYQLGRKEQIDKSINVKRFVVRNALANYTREKPILLIVDSIDTAERDIHEFITSLPQGVKVLLTARENVKQTYRESFGEMTAIQLSGLDQTDAHEFFQQEVHHCLQTCNLPRKREKLEQLLHLSSDLKNEFISATAGNPKAMALSIAYMSDDDIPAQQLIHELGKAGYSL-----------LELFEFLFGRTWDRCNEDTRKLWQTLCFFSKPPDEKSLAAAAGLDARRF----HYAMEQMRSYALIQPERSQGRTQYLAHQTVVAYGEQHLSEQHEYEKE---ARNRWAHYYIDYAETHLKREQPNSIYWSYLLGRNLDQMKQEWPNILKVIQWASETEQKEILIELITRISHFLSRINLPLRIEYGRKAADAAHHLGQHTREAYFRIDTSGWALMEVNDLDGALQQIEAGLKILEQSDAHDAYDLKVWGHALKARLFLKDGQQEKAETILNEIENQPISPTIQHRVLLVRGDLSFARGYHVEAIQLYEAANEISSTYGGEKTIEAYFNLGVAYVKCDQFEKAEEAFEQMLYDKHNANQVELIYYHYGMAQLLYRKGEKTKAVESNQKAIRLIDSWEPAIGIRGEVERLARATKENE 2A5Y Chain:B ((1-543)) ----------------------------------------------------------MLCEIECRALSTAHTRLIHDFEPRDALTYLEGKNIFTEDHSELISKMSTRLERIANFLRIYRRQASELGPLIDFFNYNNQSHLADFLEDYIDFAINEPDLLRPVVIAPQFSRQMLDRKLLLGNVPKQMTCYIREYHVDRVIKKLDEMCDLDSFFLFLHGRAGSGKSVIASQALSK--SDQLIGINYDSIVWLKDSGTAPKSTFDLFTDILLMLKSEDDLLNFPSVEHVTSVVLKRMICNALIDRPNTLFVFDDV----VQEETIRWAQELRLRCLVTTRD--VEISNAASQTCEFIEVTSLEIDECYDFLEAYGMPMPE----------------KEEDVLNKTIELSSGNPATLMMFFKSCEPK--TFEKMAQLNNKLESRGLVGVECITPYSYKSLAMALQRCVEVLSDEDRSALAFAVVMPPGVDIPVKLWSCVIPVEQLDDEVADRLKRLSKRGALLSGKRMPVLTFKIDHIIHMFLKHVVDAQTIANGISILEQRLLEIETVIRPEDFPKFMQLHQKFYDSL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2A5Y.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 : 2155 -213904 -99.26 -464.00 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.59 3D Compatibility (PKB) : -99.26 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.278

(partial model without unconserved sides chains): PDB file : Tito_2A5Y.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A5Y-query.scw PDB file : Tito_Scwrl_2A5Y.pdb: