
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  117 (  872),  selected  117 , name one
# Molecule2: number of CA atoms  118 (  880),  selected  117 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   117      16_A - 132_A       1.56     1.56
  LCS_AVERAGE:     99.15

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   117      16_A - 132_A       1.56     1.56
  LCS_AVERAGE:     99.15

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100      16_A - 115_A       0.82     1.61
  LCS_AVERAGE:     73.77

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  117
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     V    16_B     V    16_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     Q    17_B     Q    17_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     L    18_B     L    18_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     V    19_B     V    19_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     E    20_B     E    20_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     S    21_B     S    21_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     G    22_B     G    22_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     G    23_B     G    23_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     G    24_B     G    24_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     L    25_B     L    25_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     V    26_B     V    26_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     L    27_B     L    27_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     P    28_B     P    28_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     G    29_B     G    29_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     G    30_B     G    30_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     S    31_B     S    31_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     L    32_B     L    32_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     K    33_B     K    33_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     L    34_B     L    34_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     S    35_B     S    35_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     C    36_B     C    36_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     A    37_B     A    37_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     A    38_B     A    38_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     S    39_B     S    39_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     G    40_B     G    40_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     F    41_B     F    41_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     N    42_B     N    42_A    100  117  117     82  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     F    43_B     F    43_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     G    44_B     G    44_A    100  117  117     81  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     S    45_B     S    45_A    100  117  117     79  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     S    46_B     S    46_A    100  117  117     81  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     D    47_B     D    47_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     M    48_B     M    48_A    100  117  117     82  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     N    49_B     N    49_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     W    50_B     W    50_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     V    51_B     V    51_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     R    52_B     R    52_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     Q    53_B     Q    53_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     A    54_B     A    54_A    100  117  117     38  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     A    55_B     A    55_A    100  117  117      6   80  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     G    56_B     G    56_A    100  117  117     28   83  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     K    57_B     K    57_A    100  117  117     28  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     G    58_B     G    58_A    100  117  117      6  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     P    59_B     P    59_A    100  117  117     36  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     E    60_B     E    60_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     W    61_B     W    61_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     V    62_B     V    62_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     A    63_B     A    63_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     S    64_B     S    64_A    100  117  117     46  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     I    65_B     I    65_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     E    66_B     E    66_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     R    67_B     R    67_A    100  117  117     13  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     G    68_B     G    68_A    100  117  117      3    8  107  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     A    69_B     A    69_A    100  117  117      3    3    6   12  105  111  112  113  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     G    70_B     G    70_A    100  117  117     21   86  108  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     G    71_B     G    71_A    100  117  117     79  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     T    72_B     T    72_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     D    73_B     D    73_A    100  117  117     78  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     Y    74_B     Y    74_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     A    75_B     A    75_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     D    76_B     D    76_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     S    77_B     S    77_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     V    78_B     V    78_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     Q    79_B     Q    79_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     G    80_B     G    80_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     R    81_B     R    81_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     F    82_B     F    82_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     T    83_B     T    83_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     V    84_B     V    84_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     S    85_B     S    85_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     R    86_B     R    86_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     D    87_B     D    87_A    100  117  117     73  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     N    88_B     N    88_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     A    89_B     A    89_A    100  117  117     74  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     K    90_B     K    90_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     S    91_B     S    91_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     T    92_B     T    92_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     L    93_B     L    93_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     W    94_B     W    94_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     L    95_B     L    95_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     Q    96_B     Q    96_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     M    97_B     M    97_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     N    98_B     N    98_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     S    99_B     S    99_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     L   100_B     L   100_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     K   101_B     K   101_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     A   102_B     A   102_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     E   103_B     E   103_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     D   104_B     D   104_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     T   105_B     T   105_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     A   106_B     A   106_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     V   107_B     V   107_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     Y   108_B     Y   108_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     Y   109_B     Y   109_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     C   110_B     C   110_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     V   111_B     V   111_A    100  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     V   112_B     V   112_A    100  117  117     73  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     S   113_B     S   113_A    100  117  117     35  104  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     D   114_B     D   114_A    100  117  117     64  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     N   115_B     N   115_A    100  117  117      4    5   30   41  101  110  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     S   116_B     S   116_A      4  117  117      4    4   14   31   56  102  110  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     G   117_B     G   117_A      4  117  117      4    4    4    5    7    8   16   21   47   57   87  111  117  117  117  117  117  117  117  117 
LCS_GDT     Y   118_B     Y   118_A      4  117  117      4    4   10   24   32   60  108  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     Y   119_B     Y   119_A      4  117  117      4    4    4    7   30   41   71  112  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     K   120_B     K   120_A     13  117  117     73  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     Y   121_B     Y   121_A     13  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     W   122_B     W   122_A     13  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     G   123_B     G   123_A     13  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     Q   124_B     Q   124_A     13  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     G   125_B     G   125_A     13  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     T   126_B     T   126_A     13  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     Q   127_B     Q   127_A     13  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     V   128_B     V   128_A     13  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     T   129_B     T   129_A     13  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     V   130_B     V   130_A     13  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     S   131_B     S   131_A     13  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_GDT     S   132_B     S   132_A     13  117  117     83  105  109  111  111  111  112  114  116  116  116  116  117  117  117  117  117  117  117  117 
LCS_AVERAGE  LCS_A:  90.69  (  73.77   99.15   99.15 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     83    105    109    111    111    111    112    114    116    116    116    116    117    117    117    117    117    117    117    117 
GDT PERCENT_AT  70.34  88.98  92.37  94.07  94.07  94.07  94.92  96.61  98.31  98.31  98.31  98.31  99.15  99.15  99.15  99.15  99.15  99.15  99.15  99.15
GDT RMS_LOCAL    0.28   0.42   0.49   0.55   0.55   0.55   0.63   1.08   1.25   1.25   1.25   1.25   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56
GDT RMS_ALL_AT   1.61   1.61   1.61   1.61   1.61   1.61   1.62   1.57   1.57   1.57   1.57   1.57   1.56   1.56   1.56   1.56   1.56   1.56   1.56   1.56

# Checking swapping
#   possible swapping detected:  F    41_B      F    41_A
#   possible swapping detected:  Y    74_B      Y    74_A
#   possible swapping detected:  E   103_B      E   103_A
#   possible swapping detected:  Y   109_B      Y   109_A
#   possible swapping detected:  D   114_B      D   114_A
#   possible swapping detected:  Y   118_B      Y   118_A
#   possible swapping detected:  Y   121_B      Y   121_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    V    16_B      V    16_A     0.539     0    0.019   0.045     0.703   92.857   93.197
LGA    Q    17_B      Q    17_A     0.492     0    0.011   0.671     3.752  100.000   81.111
LGA    L    18_B      L    18_A     0.358     0    0.035   0.100     0.805   97.619   97.619
LGA    V    19_B      V    19_A     0.376     0    0.053   0.071     0.496  100.000  100.000
LGA    E    20_B      E    20_A     0.158     0    0.040   0.208     0.559  100.000   98.942
LGA    S    21_B      S    21_A     0.223     0    0.040   0.093     0.740  100.000   96.825
LGA    G    22_B      G    22_A     0.211     0    0.048   0.048     0.335  100.000  100.000
LGA    G    23_B      G    23_A     0.193     0    0.080   0.080     0.231  100.000  100.000
LGA    G    24_B      G    24_A     0.678     0    0.053   0.053     0.678   92.857   92.857
LGA    L    25_B      L    25_A     0.604     0    0.018   1.403     4.446   90.476   72.857
LGA    V    26_B      V    26_A     0.710     0    0.080   1.130     2.373   92.857   84.490
LGA    L    27_B      L    27_A     0.490     0    0.065   0.206     1.202   97.619   92.917
LGA    P    28_B      P    28_A     0.341     0    0.020   0.059     0.424  100.000  100.000
LGA    G    29_B      G    29_A     0.349     0    0.025   0.025     0.473  100.000  100.000
LGA    G    30_B      G    30_A     0.452     0    0.016   0.016     0.452  100.000  100.000
LGA    S    31_B      S    31_A     0.444     0    0.016   0.035     0.656  100.000   96.825
LGA    L    32_B      L    32_A     0.154     0    0.013   0.149     0.854  100.000   98.810
LGA    K    33_B      K    33_A     0.032     0    0.019   0.727     3.334  100.000   81.005
LGA    L    34_B      L    34_A     0.111     0    0.019   0.160     0.543  100.000   98.810
LGA    S    35_B      S    35_A     0.162     0    0.019   0.678     2.209  100.000   94.127
LGA    C    36_B      C    36_A     0.085     0    0.022   0.110     0.469  100.000  100.000
LGA    A    37_B      A    37_A     0.306     0    0.014   0.018     0.472  100.000  100.000
LGA    A    38_B      A    38_A     0.404     0    0.042   0.070     0.429  100.000  100.000
LGA    S    39_B      S    39_A     0.397     0    0.013   0.056     0.629   95.238   95.238
LGA    G    40_B      G    40_A     0.521     0    0.014   0.014     0.685   92.857   92.857
LGA    F    41_B      F    41_A     0.636     0    0.027   0.169     0.822   90.476   92.208
LGA    N    42_B      N    42_A     0.717     0    0.040   0.035     0.866   90.476   90.476
LGA    F    43_B      F    43_A     0.586     0    0.012   0.064     0.815   95.238   93.939
LGA    G    44_B      G    44_A     0.713     0    0.080   0.080     0.800   90.476   90.476
LGA    S    45_B      S    45_A     0.514     0    0.016   0.034     0.600   92.857   92.063
LGA    S    46_B      S    46_A     0.732     0    0.037   0.682     2.939   95.238   88.095
LGA    D    47_B      D    47_A     0.757     0    0.026   0.135     1.864   90.476   82.738
LGA    M    48_B      M    48_A     0.518     0    0.026   0.094     0.772   90.476   92.857
LGA    N    49_B      N    49_A     0.335     0    0.036   0.651     2.079  100.000   89.821
LGA    W    50_B      W    50_A     0.193     0    0.011   0.037     0.274  100.000  100.000
LGA    V    51_B      V    51_A     0.149     0    0.032   0.071     0.375  100.000  100.000
LGA    R    52_B      R    52_A     0.218     0    0.021   0.982     2.574  100.000   92.900
LGA    Q    53_B      Q    53_A     0.418     0    0.035   0.079     1.164   95.238   91.587
LGA    A    54_B      A    54_A     0.994     0    0.029   0.036     1.092   85.952   86.857
LGA    A    55_B      A    55_A     1.554     0    0.061   0.071     1.870   79.286   78.000
LGA    G    56_B      G    56_A     1.545     0    0.054   0.054     1.666   75.000   75.000
LGA    K    57_B      K    57_A     1.181     0    0.076   0.553     1.706   81.429   80.476
LGA    G    58_B      G    58_A     1.183     0    0.125   0.125     1.257   85.952   85.952
LGA    P    59_B      P    59_A     0.989     0    0.037   0.363     2.523   88.214   80.612
LGA    E    60_B      E    60_A     0.408     0    0.016   0.278     0.953   97.619   96.825
LGA    W    61_B      W    61_A     0.166     0    0.020   0.260     1.992  100.000   87.517
LGA    V    62_B      V    62_A     0.139     0    0.047   0.050     0.194  100.000  100.000
LGA    A    63_B      A    63_A     0.112     0    0.025   0.032     0.462  100.000  100.000
LGA    S    64_B      S    64_A     0.632     0    0.068   0.103     1.056   97.619   92.222
LGA    I    65_B      I    65_A     0.377     0    0.027   0.041     0.545   97.619   97.619
LGA    E    66_B      E    66_A     0.637     0    0.055   0.154     1.029   90.476   89.471
LGA    R    67_B      R    67_A     1.089     0    0.632   1.095     5.992   73.690   58.442
LGA    G    68_B      G    68_A     2.240     0    0.597   0.597     2.893   64.881   64.881
LGA    A    69_B      A    69_A     3.401     1    0.050   0.050     3.401   53.571   42.857
LGA    G    70_B      G    70_A     2.082     0    0.587   0.587     3.427   65.119   65.119
LGA    G    71_B      G    71_A     0.398     0    0.088   0.088     0.757   95.238   95.238
LGA    T    72_B      T    72_A     0.224     0    0.050   0.092     0.883  100.000   98.639
LGA    D    73_B      D    73_A     0.460     0    0.047   0.745     3.800  100.000   80.119
LGA    Y    74_B      Y    74_A     0.207     0    0.024   0.061     0.362  100.000  100.000
LGA    A    75_B      A    75_A     0.230     0    0.030   0.051     0.248  100.000  100.000
LGA    D    76_B      D    76_A     0.224     0    0.032   0.071     0.399  100.000  100.000
LGA    S    77_B      S    77_A     0.394     0    0.037   0.088     0.671  100.000   96.825
LGA    V    78_B      V    78_A     0.243     0    0.029   0.108     0.375  100.000  100.000
LGA    Q    79_B      Q    79_A     0.412     0    0.014   1.002     3.007   97.619   84.339
LGA    G    80_B      G    80_A     0.356     0    0.040   0.040     0.356  100.000  100.000
LGA    R    81_B      R    81_A     0.292     0    0.026   0.998     2.408  100.000   90.130
LGA    F    82_B      F    82_A     0.125     0    0.011   0.192     0.769  100.000   96.537
LGA    T    83_B      T    83_A     0.381     0    0.024   0.032     0.572  100.000   98.639
LGA    V    84_B      V    84_A     0.405     0    0.025   0.054     0.698  100.000   98.639
LGA    S    85_B      S    85_A     0.150     0    0.007   0.046     0.203  100.000  100.000
LGA    R    86_B      R    86_A     0.299     0    0.021   0.666     2.440  100.000   87.186
LGA    D    87_B      D    87_A     0.749     0    0.052   0.289     1.886   92.857   88.333
LGA    N    88_B      N    88_A     0.721     0    0.045   0.095     0.901   90.476   90.476
LGA    A    89_B      A    89_A     0.900     0    0.041   0.044     1.095   90.476   88.667
LGA    K    90_B      K    90_A     0.407     0    0.049   0.068     2.457  100.000   86.931
LGA    S    91_B      S    91_A     0.202     0    0.010   0.070     0.381  100.000  100.000
LGA    T    92_B      T    92_A     0.092     0    0.006   0.036     0.267  100.000  100.000
LGA    L    93_B      L    93_A     0.036     0    0.028   0.110     0.407  100.000  100.000
LGA    W    94_B      W    94_A     0.197     0    0.009   1.119     6.150  100.000   73.776
LGA    L    95_B      L    95_A     0.289     0    0.014   0.116     0.401  100.000  100.000
LGA    Q    96_B      Q    96_A     0.176     0    0.014   1.255     4.289  100.000   82.804
LGA    M    97_B      M    97_A     0.249     0    0.067   0.129     0.829  100.000   97.619
LGA    N    98_B      N    98_A     0.330     0    0.020   1.077     2.843  100.000   90.060
LGA    S    99_B      S    99_A     0.348     0    0.021   0.021     0.348  100.000  100.000
LGA    L   100_B      L   100_A     0.296     0    0.041   0.243     1.082  100.000   95.298
LGA    K   101_B      K   101_A     0.389     0    0.048   0.579     2.140  100.000   85.979
LGA    A   102_B      A   102_A     0.287     0    0.048   0.049     0.425  100.000  100.000
LGA    E   103_B      E   103_A     0.518     0    0.069   0.847     3.923   97.619   80.212
LGA    D   104_B      D   104_A     0.271     0    0.024   0.104     0.607  100.000   98.810
LGA    T   105_B      T   105_A     0.302     0    0.030   0.059     0.378  100.000  100.000
LGA    A   106_B      A   106_A     0.288     0    0.014   0.034     0.324  100.000  100.000
LGA    V   107_B      V   107_A     0.236     0    0.016   0.028     0.383  100.000  100.000
LGA    Y   108_B      Y   108_A     0.204     0    0.026   0.194     0.942  100.000   95.238
LGA    Y   109_B      Y   109_A     0.395     0    0.011   0.143     0.722  100.000   96.825
LGA    C   110_B      C   110_A     0.388     0    0.047   0.105     0.444  100.000  100.000
LGA    V   111_B      V   111_A     0.260     0    0.120   1.035     2.279   97.619   88.571
LGA    V   112_B      V   112_A     0.772     0    0.067   0.136     1.299   90.476   89.184
LGA    S   113_B      S   113_A     1.082     0    0.076   0.624     4.182   85.952   75.635
LGA    D   114_B      D   114_A     0.735     0    0.232   0.816     4.719   67.381   59.583
LGA    N   115_B      N   115_A     4.681     0    0.075   0.167     8.061   31.190   21.607
LGA    S   116_B      S   116_A     5.983     0    0.049   0.066    10.099   15.833   15.635
LGA    G   117_B      G   117_A    10.359     0    0.096   0.096    10.975    1.548    1.548
LGA    Y   118_B      Y   118_A     6.056     0    0.496   1.242     7.002   16.429   22.817
LGA    Y   119_B      Y   119_A     6.079     0    0.049   0.974    18.805   28.690    9.960
LGA    K   120_B      K   120_A     0.909     0    0.653   1.185    10.360   84.048   46.032
LGA    Y   121_B      Y   121_A     0.371     0    0.007   0.271     1.135   97.619   94.524
LGA    W   122_B      W   122_A     0.243     0    0.013   0.305     1.740  100.000   92.109
LGA    G   123_B      G   123_A     0.290     0    0.030   0.030     0.410  100.000  100.000
LGA    Q   124_B      Q   124_A     0.599     0    0.023   1.069     2.603   95.238   86.931
LGA    G   125_B      G   125_A     0.227     0    0.021   0.021     0.295  100.000  100.000
LGA    T   126_B      T   126_A     0.177     0    0.044   1.021     2.469  100.000   89.932
LGA    Q   127_B      Q   127_A     0.151     0    0.010   0.768     2.773  100.000   87.460
LGA    V   128_B      V   128_A     0.154     0    0.036   0.062     0.465  100.000  100.000
LGA    T   129_B      T   129_A     0.327     0    0.035   0.085     0.917  100.000   95.918
LGA    V   130_B      V   130_A     0.117     0    0.074   0.112     0.369  100.000  100.000
LGA    S   131_B      S   131_A     0.660     0    0.018   0.592     2.981   97.619   89.683
LGA    S   132_B      S   132_A     0.432     0    0.593   0.692     3.522   82.738   75.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      117     468    468  100.00     871    871  100.00               118
SUMMARY(RMSD_GDC):     1.561          1.608                  2.245           91.326   87.016

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  118    4.0    114    1.08    94.703    96.324     9.644

LGA_LOCAL      RMSD:   1.082  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.573  Number of assigned atoms:  117 
Std_ASGN_ATOMS RMSD:   1.561  Standard rmsd on all 117 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.272410 * X  +  -0.883895 * Y  +   0.380162 * Z  + -27.504894
  Y_new =  -0.900995 * X  +   0.372978 * Y  +   0.221573 * Z  +   3.208685
  Z_new =  -0.337639 * X  +  -0.282165 * Y  +  -0.897988 * Z  +  -3.912591 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.864401  0.344407 -2.837142   [DEG: -106.8223   19.7331 -162.5563 ]
ZXZ:  2.098501  2.685972 -2.266931   [DEG:  120.2352  153.8949 -129.8856 ]
 
# END of job
