Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------MCYGSMSCNPVE--------------QRGEELKYMEKL--IELYAQWAGE-KPSTIEKLEG-----AGSN---RVYYRFGNKSGQSVIAV---IGTSRDENHA--------FIYLTEHFTD---------KQLPVPQILAVSDDELRYLQTDLGHTSLFD-----MLKSARDAGGRYTQ-KEKQLLTKTLQALSEMQVRGA---VGLDFQ----QCYPQPEF----NVESVLFDLNYFKYCFLKATGIDFH--ELMLEAN---FRMFAKDLTAEPAECFLYR---------------DFQARNVMLDNDG----NPYFIDYQGGRKGPYYYDLA---------SFLWQASAKYPFKLRRDLVSA----YYESLKQYTEVPSSRHFVERLN--LFVLFRTLQVLGAYGFRGYFERKKHFIQ---SIPAAMQNLRELIKLGEH----VFPYPYMMSVLKEMTEL-------PQFANKE--------------ERKVKRTDGFKITDNNIFKANPVDGPAT--------------FSKYDDKGELIVRVNSFSYH----------KGIPED-----------PTG-------NGGGYVFDCRSTHNPGRYEPYKNLTGLDE--PVIRFLEDDGEILVF-------LESVYQL--ADRHV----ARYIERGFTSLIFSF--------GCTGG-QHRSV-------YC---AQHLAEHIHDKFGIEVRINHREQKI-----EQTLEAK------ 4LXR Chain:A ((1-773)) SFGRDACSEMSIDGLCQCAPIMSEYEIICPANAENPTFRLTIQPKDYVQIMCNLTDTTDYQQLPKKLRIGEVDRVQMRRCMLPGHTPIASILDYLGIVSPTTLIFESDNLGMNITRQHLDRLHGLKRFRFTTRRLTHIPANLLTDMRNLSHLELRANIEEMPSHLFDDLENLESIEFGSNKLRQMPRGIFGKMPKLKQLNLWSNQLHNLTKHDFEGATSVLGIDIHDNGIEQLPHDVFAHLTNVTDINLSANLFRSLPQGLFDHNKHLNEVRLMNNRVPLATLPSRLFANQPELQILRLRAELQSLPGDLFEHSTQITNISLGDNLLKTLPATLLEHQ---VNLLSLDLSNNRLTHLPDSLFAHTTNLTDLRLEDNLLTGISGDIFSNLGNLVTLVMSRNRLRTIDSRAFVSTNGLRHLHLDHNDIDLQQPLLDIMLQTQINSPFGYMHGLLTLNLRNNSIIFVYNDWKNTMLQLRELDLSYNNISSLGYEDLAFLSQNRLHVNMTHNKIRRIALPEDVNNNLVHVDLNDNPLVCDCTILWFIQLVRGVHKPQYSRQFKLRTDRLVCSQPNVLEGTPVRQIEPQTLICPLDFSKCPRGCNCHVRTYDKALVINCHS----GNLTHVPRLPNLHKNMQLMELHLENNTLLRLPSANTPGYESVTSLHLAGNNLTSIDVDQLPTNLTHLDISWNHLQMLNATVLGFLNWRSVKLSGNPWMCDCTAKPLLLFTQDNFE---RIGDRNEMMCVNAPTRMVELSTNDICP

General information: TITO was launched using: RESULT: Template: 4LXR.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 : 2806 45015 16.04 86.07 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 16.04 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.200

(partial model without unconserved sides chains): PDB file : Tito_4LXR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4lxr-query.scw PDB file : Tito_Scwrl_4LXR.pdb: