
#######################################################
#                                                     #
#                        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  126 (  983),  selected  126 , name one
# Molecule2: number of CA atoms  126 (  983),  selected  126 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       1_B - 126_B       2.47     2.47
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105       1_B - 105_B       1.86     2.48
  LCS_AVERAGE:     71.50

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       1_B - 102_B       0.77     2.52
  LCS_AVERAGE:     67.21

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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     E     1_B     E     1_B    102  105  126     44  105  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     V     2_B     V     2_B    102  105  126     73  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     Q     3_B     Q     3_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     L     4_B     L     4_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     Q     5_B     Q     5_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     E     6_B     E     6_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     S     7_B     S     7_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     G     8_B     G     8_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     G     9_B     G     9_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     G    10_B     G    10_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     L    11_B     L    11_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     V    12_B     V    12_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     Q    13_B     Q    13_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     P    14_B     P    14_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     G    15_B     G    15_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     G    16_B     G    16_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     S    17_B     S    17_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     L    18_B     L    18_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     R    19_B     R    19_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     L    20_B     L    20_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     S    21_B     S    21_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     C    22_B     C    22_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     A    23_B     A    23_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     A    24_B     A    24_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     S    25_B     S    25_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     G    26_B     G    26_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     F    27_B     F    27_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     R    28_B     R    28_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     F    29_B     F    29_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     S    30_B     S    30_B    102  105  126     92  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     S    31_B     S    31_B    102  105  126     59  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     Y    32_B     Y    32_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     W    33_B     W    33_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     M    34_B     M    34_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     Y    35_B     Y    35_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     W    36_B     W    36_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     V    37_B     V    37_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     R    38_B     R    38_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     Q    39_B     Q    39_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     A    40_B     A    40_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     P    41_B     P    41_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     G    42_B     G    42_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     K    43_B     K    43_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     G    44_B     G    44_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     L    45_B     L    45_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     E    46_B     E    46_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     W    47_B     W    47_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     V    48_B     V    48_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     S    49_B     S    49_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     A    50_B     A    50_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     I    51_B     I    51_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     N    52_B     N    52_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     S    53_B     S    53_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     S    54_B     S    54_B    102  105  126     89  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     G    55_B     G    55_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     G    56_B     G    56_B    102  105  126     25   96  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     Y    57_B     Y    57_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     T    58_B     T    58_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     R    59_B     R    59_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     Y    60_B     Y    60_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     A    61_B     A    61_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     D    62_B     D    62_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     S    63_B     S    63_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     V    64_B     V    64_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     K    65_B     K    65_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     G    66_B     G    66_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     R    67_B     R    67_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     F    68_B     F    68_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     T    69_B     T    69_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     I    70_B     I    70_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     S    71_B     S    71_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     R    72_B     R    72_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     D    73_B     D    73_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     N    74_B     N    74_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     A    75_B     A    75_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     K    76_B     K    76_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     N    77_B     N    77_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     T    78_B     T    78_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     L    79_B     L    79_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     Y    80_B     Y    80_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     L    81_B     L    81_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     Q    82_B     Q    82_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     M    83_B     M    83_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     N    84_B     N    84_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     S    85_B     S    85_B    102  105  126     79  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     L    86_B     L    86_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     R    87_B     R    87_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     A    88_B     A    88_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     E    89_B     E    89_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     D    90_B     D    90_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     T    91_B     T    91_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     A    92_B     A    92_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     V    93_B     V    93_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     Y    94_B     Y    94_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     Y    95_B     Y    95_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     C    96_B     C    96_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     A    97_B     A    97_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     T    98_B     T    98_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     D    99_B     D    99_B    102  105  126     50  106  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     S   100_B     S   100_B    102  105  126      4   10   82  104  113  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     G   101_B     G   101_B    102  105  126     10   47  104  111  113  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     D   102_B     D   102_B    102  105  126      3   16   39   98  108  112  114  117  118  118  118  122  122  124  124  124  125  126  126  126 
LCS_GDT     G   103_B     G   103_B      5  105  126      3    5    7    8    9   13   20   78   96  104  118  122  122  124  124  124  125  126  126  126 
LCS_GDT     K   104_B     K   104_B      5  105  126      3    5    7    8   12   18   63   78  101  116  118  122  122  124  124  124  125  126  126  126 
LCS_GDT     R   105_B     R   105_B      5  105  126      3    5    7    8   12   18   32   78  106  116  118  122  122  124  124  124  125  126  126  126 
LCS_GDT     Y   106_B     Y   106_B      5   10  126      3    5    7    8   13   23   31   80  111  116  118  122  122  124  124  124  125  126  126  126 
LCS_GDT     W   107_B     W   107_B      5   10  126      3    5    7   12   43   74   99  110  115  116  118  122  122  124  124  124  125  126  126  126 
LCS_GDT     S   108_B     S   108_B      4   10  126      3    5    7    7    9    9   11   19  108  114  118  122  122  124  124  124  125  126  126  126 
LCS_GDT     G   109_B     G   109_B      4    8  126      3    4   44  100  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     E   110_B     E   110_B      4   17  126      3    4    5    6   20   41   69   95  118  118  119  119  119  120  121  121  125  126  126  126 
LCS_GDT     Y   111_B     Y   111_B      4   17  126      3    4    5    6   24   69  102  117  118  118  119  119  119  120  121  124  125  126  126  126 
LCS_GDT     F   112_B     F   112_B     15   17  126     11   20   66  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     Y   113_B     Y   113_B     15   17  126      3    5   57   98  114  115  117  117  118  118  119  120  121  124  124  124  125  126  126  126 
LCS_GDT     R   114_B     R   114_B     15   17  126      4   37   97  113  114  115  117  117  118  118  119  120  122  124  124  124  125  126  126  126 
LCS_GDT     S   115_B     S   115_B     15   17  126     75  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     R   116_B     R   116_B     15   17  126     38  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     G   117_B     G   117_B     15   17  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     Q   118_B     Q   118_B     15   17  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     G   119_B     G   119_B     15   17  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     T   120_B     T   120_B     15   17  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     L   121_B     L   121_B     15   17  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     V   122_B     V   122_B     15   17  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     T   123_B     T   123_B     15   17  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     V   124_B     V   124_B     15   17  126     96  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     S   125_B     S   125_B     15   17  126     78  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_GDT     S   126_B     S   126_B     15   17  126     57  108  111  113  114  115  117  117  118  118  119  122  122  124  124  124  125  126  126  126 
LCS_AVERAGE  LCS_A:  79.57  (  67.21   71.50  100.00 )

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     96    108    111    113    114    115    117    117    118    118    119    122    122    124    124    124    125    126    126    126 
GDT PERCENT_AT  76.19  85.71  88.10  89.68  90.48  91.27  92.86  92.86  93.65  93.65  94.44  96.83  96.83  98.41  98.41  98.41  99.21 100.00 100.00 100.00
GDT RMS_LOCAL    0.27   0.36   0.42   0.53   0.61   0.68   0.79   0.79   0.94   0.94   1.24   2.17   2.02   2.22   2.22   2.22   2.33   2.47   2.47   2.47
GDT RMS_ALL_AT   2.54   2.56   2.57   2.59   2.60   2.61   2.59   2.59   2.56   2.56   2.65   2.49   2.47   2.48   2.48   2.48   2.47   2.47   2.47   2.47

# Checking swapping
#   possible swapping detected:  E     1_B      E     1_B
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  F    29_B      F    29_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    94_B      Y    94_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  F   112_B      F   112_B
#   possible swapping detected:  Y   113_B      Y   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     1.339     0    0.141   0.721     4.910   77.262   67.672
LGA    V     2_B      V     2_B     0.713     0    0.074   0.259     1.139   95.238   91.905
LGA    Q     3_B      Q     3_B     0.498     0    0.092   0.504     1.642   97.619   92.751
LGA    L     4_B      L     4_B     0.387     0    0.083   0.425     1.103   97.619   95.298
LGA    Q     5_B      Q     5_B     0.242     0    0.031   0.460     1.803  100.000   89.841
LGA    E     6_B      E     6_B     0.116     0    0.077   0.169     0.501  100.000   98.942
LGA    S     7_B      S     7_B     0.142     0    0.055   0.199     0.786  100.000   98.413
LGA    G     8_B      G     8_B     0.224     0    0.042   0.042     0.488  100.000  100.000
LGA    G     9_B      G     9_B     0.172     0    0.048   0.048     0.701   97.619   97.619
LGA    G    10_B      G    10_B     0.283     0    0.033   0.033     0.388  100.000  100.000
LGA    L    11_B      L    11_B     0.501     0    0.068   0.361     1.167   92.857   90.536
LGA    V    12_B      V    12_B     0.466     0    0.006   0.062     0.542   97.619   94.558
LGA    Q    13_B      Q    13_B     0.425     0    0.018   1.024     2.919  100.000   88.042
LGA    P    14_B      P    14_B     0.297     0    0.041   0.103     0.611   97.619   95.918
LGA    G    15_B      G    15_B     0.390     0    0.174   0.174     0.460  100.000  100.000
LGA    G    16_B      G    16_B     0.187     0    0.063   0.063     0.437  100.000  100.000
LGA    S    17_B      S    17_B     0.347     0    0.034   0.094     0.805  100.000   96.825
LGA    L    18_B      L    18_B     0.249     0    0.020   0.167     0.439  100.000  100.000
LGA    R    19_B      R    19_B     0.149     0    0.028   0.369     1.347  100.000   97.446
LGA    L    20_B      L    20_B     0.125     0    0.025   1.218     2.586  100.000   89.048
LGA    S    21_B      S    21_B     0.254     0    0.081   0.720     2.322  100.000   94.127
LGA    C    22_B      C    22_B     0.415     0    0.051   0.065     0.552   97.619   96.825
LGA    A    23_B      A    23_B     0.334     0    0.035   0.058     0.434  100.000  100.000
LGA    A    24_B      A    24_B     0.364     0    0.095   0.126     0.789   97.619   96.190
LGA    S    25_B      S    25_B     0.434     0    0.049   0.130     0.558  100.000   96.825
LGA    G    26_B      G    26_B     0.185     0    0.059   0.059     0.324  100.000  100.000
LGA    F    27_B      F    27_B     0.382     0    0.047   0.200     0.617  100.000   99.134
LGA    R    28_B      R    28_B     0.314     0    0.018   0.902     3.171  100.000   88.658
LGA    F    29_B      F    29_B     0.309     0    0.021   0.090     0.640  100.000   98.268
LGA    S    30_B      S    30_B     0.599     0    0.045   0.042     0.877   92.857   92.063
LGA    S    31_B      S    31_B     0.788     0    0.109   0.631     1.238   95.238   90.635
LGA    Y    32_B      Y    32_B     0.364     0    0.044   0.284     1.169   97.619   93.690
LGA    W    33_B      W    33_B     0.209     0    0.052   0.110     0.566  100.000   99.320
LGA    M    34_B      M    34_B     0.331     0    0.016   0.849     2.860  100.000   93.452
LGA    Y    35_B      Y    35_B     0.225     0    0.054   0.256     1.632  100.000   91.508
LGA    W    36_B      W    36_B     0.244     0    0.036   0.123     0.407  100.000  100.000
LGA    V    37_B      V    37_B     0.319     0    0.039   0.090     0.381  100.000  100.000
LGA    R    38_B      R    38_B     0.226     0    0.020   0.096     0.484  100.000  100.000
LGA    Q    39_B      Q    39_B     0.253     0    0.057   0.126     0.692  100.000   96.825
LGA    A    40_B      A    40_B     0.194     0    0.024   0.036     0.413  100.000  100.000
LGA    P    41_B      P    41_B     0.545     0    0.067   0.093     0.648   92.857   93.197
LGA    G    42_B      G    42_B     0.673     0    0.041   0.041     0.810   90.476   90.476
LGA    K    43_B      K    43_B     0.542     0    0.082   0.262     2.363   97.619   87.831
LGA    G    44_B      G    44_B     0.515     0    0.043   0.043     0.523   95.238   95.238
LGA    L    45_B      L    45_B     0.386     0    0.022   1.301     3.436  100.000   89.107
LGA    E    46_B      E    46_B     0.136     0    0.062   0.262     1.058   97.619   93.704
LGA    W    47_B      W    47_B     0.309     0    0.032   0.087     0.473  100.000  100.000
LGA    V    48_B      V    48_B     0.346     0    0.018   0.035     0.352  100.000  100.000
LGA    S    49_B      S    49_B     0.393     0    0.021   0.298     1.037  100.000   96.905
LGA    A    50_B      A    50_B     0.266     0    0.026   0.031     0.295  100.000  100.000
LGA    I    51_B      I    51_B     0.313     0    0.041   0.104     0.718  100.000   97.619
LGA    N    52_B      N    52_B     0.118     0    0.040   0.129     0.508  100.000   98.810
LGA    S    53_B      S    53_B     0.496     0    0.049   0.345     1.229   95.238   93.730
LGA    S    54_B      S    54_B     0.744     0    0.103   0.112     1.241   88.214   88.968
LGA    G    55_B      G    55_B     0.266     0    0.762   0.762     2.928   86.905   86.905
LGA    G    56_B      G    56_B     1.311     0    0.079   0.079     1.542   86.190   86.190
LGA    Y    57_B      Y    57_B     0.348     0    0.113   0.278     0.876   95.238   92.857
LGA    T    58_B      T    58_B     0.254     0    0.031   0.131     0.266  100.000  100.000
LGA    R    59_B      R    59_B     0.163     0    0.022   1.171     5.141  100.000   81.472
LGA    Y    60_B      Y    60_B     0.275     0    0.033   0.234     0.756  100.000   96.825
LGA    A    61_B      A    61_B     0.343     0    0.037   0.062     0.392  100.000  100.000
LGA    D    62_B      D    62_B     0.421     0    0.055   0.400     1.922   97.619   93.036
LGA    S    63_B      S    63_B     0.350     0    0.082   0.107     0.849   97.619   96.825
LGA    V    64_B      V    64_B     0.296     0    0.027   0.109     0.397  100.000  100.000
LGA    K    65_B      K    65_B     0.308     0    0.039   0.728     3.319  100.000   87.354
LGA    G    66_B      G    66_B     0.287     0    0.037   0.037     0.372  100.000  100.000
LGA    R    67_B      R    67_B     0.332     0    0.053   0.120     0.602  100.000   98.268
LGA    F    68_B      F    68_B     0.285     0    0.079   0.159     0.855   97.619   99.134
LGA    T    69_B      T    69_B     0.186     0    0.061   0.103     0.410  100.000  100.000
LGA    I    70_B      I    70_B     0.183     0    0.036   0.051     0.230  100.000  100.000
LGA    S    71_B      S    71_B     0.423     0    0.022   0.080     0.512  100.000   98.413
LGA    R    72_B      R    72_B     0.108     0    0.044   0.194     0.578  100.000   98.268
LGA    D    73_B      D    73_B     0.305     0    0.016   0.240     1.246   97.619   95.298
LGA    N    74_B      N    74_B     0.207     0    0.037   0.863     2.210  100.000   93.274
LGA    A    75_B      A    75_B     0.452     0    0.023   0.024     0.595  100.000   98.095
LGA    K    76_B      K    76_B     0.255     0    0.031   0.306     1.404  100.000   96.878
LGA    N    77_B      N    77_B     0.316     0    0.013   0.339     1.259   97.619   95.298
LGA    T    78_B      T    78_B     0.383     0    0.052   0.143     0.781  100.000   98.639
LGA    L    79_B      L    79_B     0.159     0    0.031   0.086     0.292  100.000  100.000
LGA    Y    80_B      Y    80_B     0.189     0    0.092   0.210     1.037   97.619   95.278
LGA    L    81_B      L    81_B     0.135     0    0.027   0.266     0.635  100.000   97.619
LGA    Q    82_B      Q    82_B     0.092     0    0.045   0.119     0.413  100.000  100.000
LGA    M    83_B      M    83_B     0.374     0    0.039   0.759     2.308  100.000   92.024
LGA    N    84_B      N    84_B     0.291     0    0.087   0.429     1.264   97.619   95.298
LGA    S    85_B      S    85_B     0.726     0    0.049   0.120     0.932   90.476   90.476
LGA    L    86_B      L    86_B     0.337     0    0.063   0.103     0.646   97.619   98.810
LGA    R    87_B      R    87_B     0.237     0    0.014   0.165     1.212  100.000   94.848
LGA    A    88_B      A    88_B     0.325     0    0.046   0.046     0.455  100.000  100.000
LGA    E    89_B      E    89_B     0.419     0    0.014   0.450     1.628   97.619   92.804
LGA    D    90_B      D    90_B     0.135     0    0.036   0.084     0.227  100.000  100.000
LGA    T    91_B      T    91_B     0.091     0    0.083   0.076     0.285  100.000  100.000
LGA    A    92_B      A    92_B     0.196     0    0.066   0.097     0.355  100.000  100.000
LGA    V    93_B      V    93_B     0.077     0    0.028   0.243     0.694  100.000   98.639
LGA    Y    94_B      Y    94_B     0.050     0    0.089   0.119     0.536  100.000   99.206
LGA    Y    95_B      Y    95_B     0.318     0    0.072   0.113     0.630  100.000   96.825
LGA    C    96_B      C    96_B     0.265     0    0.053   0.213     0.447  100.000  100.000
LGA    A    97_B      A    97_B     0.421     0    0.015   0.026     0.474  100.000  100.000
LGA    T    98_B      T    98_B     0.679     0    0.028   0.078     0.899   90.476   90.476
LGA    D    99_B      D    99_B     1.358     0    0.482   1.122     4.968   81.548   63.869
LGA    S   100_B      S   100_B     3.322     0    0.089   0.674     7.765   50.357   38.333
LGA    G   101_B      G   101_B     3.010     0    0.650   0.650     6.144   44.286   44.286
LGA    D   102_B      D   102_B     5.610     0    0.084   0.363     9.906   15.952   11.131
LGA    G   103_B      G   103_B    11.445     0    0.696   0.696    11.640    0.714    0.714
LGA    K   104_B      K   104_B    11.478     0    0.291   0.761    12.954    0.000    0.000
LGA    R   105_B      R   105_B    11.095     0    0.355   0.936    13.127    0.000    0.000
LGA    Y   106_B      Y   106_B    10.264     0    0.102   0.235    16.951    3.333    1.111
LGA    W   107_B      W   107_B     8.800     0    0.540   1.147    12.355    2.381    1.156
LGA    S   108_B      S   108_B     7.417     0    0.587   0.507     9.154   12.857    9.286
LGA    G   109_B      G   109_B     3.250     0    0.023   0.023     6.489   34.167   34.167
LGA    E   110_B      E   110_B     8.266     0    0.096   1.161    14.305    6.786    3.016
LGA    Y   111_B      Y   111_B     6.897     0    0.654   0.517    17.787   19.881    7.024
LGA    F   112_B      F   112_B     2.270     0    0.721   1.354     7.622   55.476   33.680
LGA    Y   113_B      Y   113_B     3.291     0    0.587   1.377     6.142   50.476   50.992
LGA    R   114_B      R   114_B     2.560     0    0.037   0.457     8.214   62.976   40.216
LGA    S   115_B      S   115_B     0.670     0    0.224   0.262     1.207   88.214   90.556
LGA    R   116_B      R   116_B     0.894     0    0.111   1.184     4.107   90.476   80.779
LGA    G   117_B      G   117_B     0.236     0    0.046   0.046     0.418  100.000  100.000
LGA    Q   118_B      Q   118_B     0.123     0    0.060   0.875     4.574  100.000   76.508
LGA    G   119_B      G   119_B     0.288     0    0.018   0.018     0.288  100.000  100.000
LGA    T   120_B      T   120_B     0.097     0    0.035   0.065     0.324  100.000  100.000
LGA    L   121_B      L   121_B     0.187     0    0.014   0.249     0.724  100.000   98.810
LGA    V   122_B      V   122_B     0.244     0    0.012   0.091     0.358  100.000  100.000
LGA    T   123_B      T   123_B     0.153     0    0.103   0.487     1.077  100.000   94.694
LGA    V   124_B      V   124_B     0.149     0    0.062   0.074     0.499  100.000  100.000
LGA    S   125_B      S   125_B     0.695     0    0.063   0.096     0.938   90.476   90.476
LGA    S   126_B      S   126_B     0.893     0    0.301   0.897     4.742   65.595   64.048

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     983    983  100.00               126
SUMMARY(RMSD_GDC):     2.467          2.485                  3.299           88.853   85.779

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    117    0.79    91.667    87.063    13.108

LGA_LOCAL      RMSD:   0.793  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.589  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.467  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.088871 * X  +   0.857004 * Y  +   0.507589 * Z  + -30.648952
  Y_new =   0.776916 * X  +  -0.378542 * Y  +   0.503097 * Z  + -14.011967
  Z_new =   0.623300 * X  +   0.349643 * Y  +  -0.699462 * Z  + -67.976151 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.456902 -0.672956  2.678045   [DEG:   83.4743  -38.5575  153.4407 ]
ZXZ:  2.351750  2.345440  1.059581   [DEG:  134.7454  134.3838   60.7095 ]
 
# END of job
