
#######################################################
#                                                     #
#                        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       3.59     3.59
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       1_B - 102_B       1.50     3.79
  LCS_AVERAGE:     67.76

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       1_B - 100_B       0.82     3.92
  LCS_AVERAGE:     64.78

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    100  102  126     14   84  107  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     V     2_B     V     2_B    100  102  126     50   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     Q     3_B     Q     3_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     L     4_B     L     4_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     Q     5_B     Q     5_B    100  102  126     50   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     E     6_B     E     6_B    100  102  126     16   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     S     7_B     S     7_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     G     8_B     G     8_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     G     9_B     G     9_B    100  102  126     34   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     G    10_B     G    10_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     L    11_B     L    11_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     V    12_B     V    12_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     Q    13_B     Q    13_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     P    14_B     P    14_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     G    15_B     G    15_B    100  102  126     58   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     G    16_B     G    16_B    100  102  126     57   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     S    17_B     S    17_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     L    18_B     L    18_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     R    19_B     R    19_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     L    20_B     L    20_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     S    21_B     S    21_B    100  102  126     46   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     C    22_B     C    22_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     A    23_B     A    23_B    100  102  126     42   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     A    24_B     A    24_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     S    25_B     S    25_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     G    26_B     G    26_B    100  102  126      9   92  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     F    27_B     F    27_B    100  102  126      9   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     R    28_B     R    28_B    100  102  126     10   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     F    29_B     F    29_B    100  102  126     12   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     S    30_B     S    30_B    100  102  126     10   91  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     S    31_B     S    31_B    100  102  126     10   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     Y    32_B     Y    32_B    100  102  126     43   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     W    33_B     W    33_B    100  102  126     57   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     M    34_B     M    34_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     Y    35_B     Y    35_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     W    36_B     W    36_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     V    37_B     V    37_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     R    38_B     R    38_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     Q    39_B     Q    39_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     A    40_B     A    40_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     P    41_B     P    41_B    100  102  126     54   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     G    42_B     G    42_B    100  102  126     15   59  105  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     K    43_B     K    43_B    100  102  126     47   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     G    44_B     G    44_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     L    45_B     L    45_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     E    46_B     E    46_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     W    47_B     W    47_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     V    48_B     V    48_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     S    49_B     S    49_B    100  102  126     60   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     A    50_B     A    50_B    100  102  126     23   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     I    51_B     I    51_B    100  102  126     48   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     N    52_B     N    52_B    100  102  126     48   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     S    53_B     S    53_B    100  102  126     23   93  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     S    54_B     S    54_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     G    55_B     G    55_B    100  102  126     54   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     G    56_B     G    56_B    100  102  126      3    7   23   44  112  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     Y    57_B     Y    57_B    100  102  126     16   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     T    58_B     T    58_B    100  102  126     59   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     R    59_B     R    59_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     Y    60_B     Y    60_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     A    61_B     A    61_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     D    62_B     D    62_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     S    63_B     S    63_B    100  102  126     58   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     V    64_B     V    64_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     K    65_B     K    65_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     G    66_B     G    66_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     R    67_B     R    67_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     F    68_B     F    68_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     T    69_B     T    69_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     I    70_B     I    70_B    100  102  126     50   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     S    71_B     S    71_B    100  102  126     54   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     R    72_B     R    72_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     D    73_B     D    73_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     N    74_B     N    74_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     A    75_B     A    75_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     K    76_B     K    76_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     N    77_B     N    77_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     T    78_B     T    78_B    100  102  126     54   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     L    79_B     L    79_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     Y    80_B     Y    80_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     L    81_B     L    81_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     Q    82_B     Q    82_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     M    83_B     M    83_B    100  102  126     41   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     N    84_B     N    84_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     S    85_B     S    85_B    100  102  126     48   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     L    86_B     L    86_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     R    87_B     R    87_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     A    88_B     A    88_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     E    89_B     E    89_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     D    90_B     D    90_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     T    91_B     T    91_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     A    92_B     A    92_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     V    93_B     V    93_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     Y    94_B     Y    94_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     Y    95_B     Y    95_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     C    96_B     C    96_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     A    97_B     A    97_B    100  102  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     T    98_B     T    98_B    100  102  126     58   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     D    99_B     D    99_B    100  102  126      8   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     S   100_B     S   100_B    100  102  126      3    4    7   44  111  113  115  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     G   101_B     G   101_B      5  102  126      3    5   26   47   83  108  114  115  116  117  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     D   102_B     D   102_B      5  102  126      3    5    5    6    9   22   48   75   89  100  112  117  119  121  121  122  122  123  124  125 
LCS_GDT     G   103_B     G   103_B      5    9  126      3    5    5    6    8   10   11   15   19   28   36   72   99  113  118  120  121  123  124  125 
LCS_GDT     K   104_B     K   104_B      5    9  126      3    5    5    6    8   10   11   15   16   19   20   24   46   50   61   69   74   98  114  121 
LCS_GDT     R   105_B     R   105_B      5    9  126      3    5    5    6    8   10   12   16   21   35   65   86   99  113  118  120  121  123  124  125 
LCS_GDT     Y   106_B     Y   106_B      4    9  126      4    4    4    6    8   10   10   14   18   24   28   50   73   94  106  118  120  121  124  125 
LCS_GDT     W   107_B     W   107_B      4    9  126      4    4    4    6    7   10   26   47   65   82   97  108  117  118  121  122  122  123  124  125 
LCS_GDT     S   108_B     S   108_B      4    9  126      4    4    5    6    8   35   54   73   95  109  115  118  120  121  121  122  122  123  124  125 
LCS_GDT     G   109_B     G   109_B      4   10  126      4    4    5   21   29   75   95  108  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     E   110_B     E   110_B      9   17  126      3    7   20   46   85  113  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     Y   111_B     Y   111_B      9   17  126      3    7   15   44   81  113  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     F   112_B     F   112_B     15   17  126      5   36   88  110  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     Y   113_B     Y   113_B     15   17  126     16   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     R   114_B     R   114_B     15   17  126      5   80  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     S   115_B     S   115_B     15   17  126     42   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     R   116_B     R   116_B     15   17  126     38   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     G   117_B     G   117_B     15   17  126     61   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     Q   118_B     Q   118_B     15   17  126     18   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     G   119_B     G   119_B     15   17  126     48   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     T   120_B     T   120_B     15   17  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     L   121_B     L   121_B     15   17  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     V   122_B     V   122_B     15   17  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     T   123_B     T   123_B     15   17  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     V   124_B     V   124_B     15   17  126     62   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     S   125_B     S   125_B     15   17  126     41   99  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_GDT     S   126_B     S   126_B     15   17  126      5   91  109  112  113  114  116  116  117  118  119  119  120  121  121  122  122  123  124  125 
LCS_AVERAGE  LCS_A:  77.51  (  64.78   67.76  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     62     99    109    112    113    114    116    116    117    118    119    119    120    121    121    122    122    123    124    125 
GDT PERCENT_AT  49.21  78.57  86.51  88.89  89.68  90.48  92.06  92.06  92.86  93.65  94.44  94.44  95.24  96.03  96.03  96.83  96.83  97.62  98.41  99.21
GDT RMS_LOCAL    0.35   0.52   0.62   0.70   0.74   0.81   0.99   0.95   1.04   1.23   1.35   1.35   1.60   1.88   1.88   2.19   2.19   2.58   2.91   3.21
GDT RMS_ALL_AT   3.94   3.93   3.94   3.92   3.93   3.94   3.95   3.94   3.95   3.91   3.87   3.87   3.83   3.77   3.77   3.72   3.72   3.66   3.62   3.60

# Checking swapping
#   possible swapping detected:  E     1_B      E     1_B
#   possible swapping detected:  F    27_B      F    27_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  Y    35_B      Y    35_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    60_B      Y    60_B
#   possible swapping detected:  E   110_B      E   110_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     2.121     0    0.209   1.219     8.179   70.952   44.815
LGA    V     2_B      V     2_B     0.956     0    0.185   0.325     1.792   83.810   82.857
LGA    Q     3_B      Q     3_B     0.409     0    0.030   1.019     4.134  100.000   78.148
LGA    L     4_B      L     4_B     0.362     0    0.027   0.493     1.343   95.238   92.976
LGA    Q     5_B      Q     5_B     0.594     0    0.116   0.998     3.225   90.476   76.667
LGA    E     6_B      E     6_B     0.797     0    0.040   0.914     2.697   90.476   85.767
LGA    S     7_B      S     7_B     0.412     0    0.042   0.548     2.226   95.238   90.952
LGA    G     8_B      G     8_B     0.671     0    0.682   0.682     3.256   80.476   80.476
LGA    G     9_B      G     9_B     0.955     0    0.089   0.089     1.223   85.952   85.952
LGA    G    10_B      G    10_B     0.682     0    0.015   0.015     0.682   90.476   90.476
LGA    L    11_B      L    11_B     0.615     0    0.105   0.416     1.205   90.476   89.345
LGA    V    12_B      V    12_B     0.331     0    0.032   1.216     2.780   97.619   86.122
LGA    Q    13_B      Q    13_B     0.342     0    0.035   1.210     4.029   97.619   80.952
LGA    P    14_B      P    14_B     0.276     0    0.045   0.080     0.810   97.619   95.918
LGA    G    15_B      G    15_B     0.754     0    0.173   0.173     0.754   95.238   95.238
LGA    G    16_B      G    16_B     0.622     0    0.054   0.054     0.734   90.476   90.476
LGA    S    17_B      S    17_B     0.524     0    0.024   0.654     1.577   95.238   90.714
LGA    L    18_B      L    18_B     0.658     0    0.065   0.124     1.039   90.476   89.345
LGA    R    19_B      R    19_B     0.696     0    0.137   1.040     4.162   86.071   79.264
LGA    L    20_B      L    20_B     0.603     0    0.063   1.203     2.860   92.857   83.155
LGA    S    21_B      S    21_B     0.739     0    0.091   0.227     0.912   92.857   92.063
LGA    C    22_B      C    22_B     0.408     0    0.046   0.915     2.943   95.238   89.683
LGA    A    23_B      A    23_B     0.809     0    0.124   0.157     0.966   90.476   90.476
LGA    A    24_B      A    24_B     0.294     0    0.057   0.093     0.935   97.619   96.190
LGA    S    25_B      S    25_B     0.203     0    0.070   0.077     0.727   95.238   96.825
LGA    G    26_B      G    26_B     1.348     0    0.048   0.048     1.670   81.548   81.548
LGA    F    27_B      F    27_B     1.166     0    0.061   0.239     1.282   85.952   83.074
LGA    R    28_B      R    28_B     0.828     0    0.079   0.764     5.872   90.476   59.264
LGA    F    29_B      F    29_B     0.784     0    0.009   0.129     0.968   90.476   90.476
LGA    S    30_B      S    30_B     1.113     0    0.052   0.095     1.523   83.690   81.508
LGA    S    31_B      S    31_B     1.083     0    0.042   0.076     1.323   85.952   84.444
LGA    Y    32_B      Y    32_B     0.728     0    0.042   0.231     1.221   92.857   89.762
LGA    W    33_B      W    33_B     0.609     0    0.041   0.254     2.097   90.476   82.279
LGA    M    34_B      M    34_B     0.537     0    0.021   1.259     5.376   92.857   77.202
LGA    Y    35_B      Y    35_B     0.225     0    0.033   0.251     0.895   97.619   95.238
LGA    W    36_B      W    36_B     0.249     0    0.040   0.253     1.369  100.000   95.340
LGA    V    37_B      V    37_B     0.317     0    0.036   0.078     0.456  100.000  100.000
LGA    R    38_B      R    38_B     0.571     0    0.110   0.582     1.372   92.857   92.294
LGA    Q    39_B      Q    39_B     0.286     0    0.096   0.157     0.382  100.000  100.000
LGA    A    40_B      A    40_B     0.328     0    0.040   0.047     0.369  100.000  100.000
LGA    P    41_B      P    41_B     0.600     0    0.628   0.587     2.563   84.524   87.075
LGA    G    42_B      G    42_B     2.201     0    0.087   0.087     2.477   68.810   68.810
LGA    K    43_B      K    43_B     0.843     0    0.082   0.348     4.288   92.976   75.344
LGA    G    44_B      G    44_B     0.126     0    0.126   0.126     0.351  100.000  100.000
LGA    L    45_B      L    45_B     0.173     0    0.053   0.470     1.666   97.619   94.226
LGA    E    46_B      E    46_B     0.232     0    0.033   0.313     1.528   97.619   92.751
LGA    W    47_B      W    47_B     0.338     0    0.031   0.099     0.819  100.000   93.878
LGA    V    48_B      V    48_B     0.336     0    0.036   0.058     0.359  100.000  100.000
LGA    S    49_B      S    49_B     0.661     0    0.036   0.270     1.577   90.476   87.540
LGA    A    50_B      A    50_B     1.108     0    0.053   0.053     1.481   90.595   88.762
LGA    I    51_B      I    51_B     0.661     0    0.079   1.016     2.806   85.952   80.714
LGA    N    52_B      N    52_B     0.747     0    0.080   0.355     2.230   92.857   87.321
LGA    S    53_B      S    53_B     1.327     0    0.104   0.519     2.425   85.952   78.889
LGA    S    54_B      S    54_B     0.221     0    0.151   0.190     1.635   90.833   89.206
LGA    G    55_B      G    55_B     0.517     0    0.744   0.744     1.651   88.452   88.452
LGA    G    56_B      G    56_B     3.413     0    0.183   0.183     3.413   61.190   61.190
LGA    Y    57_B      Y    57_B     1.011     0    0.126   1.356     7.312   86.190   59.444
LGA    T    58_B      T    58_B     0.414     0    0.070   1.111     2.674   97.619   87.279
LGA    R    59_B      R    59_B     0.413     0    0.031   0.636     3.067  100.000   83.247
LGA    Y    60_B      Y    60_B     0.325     0    0.038   0.297     1.023  100.000   95.278
LGA    A    61_B      A    61_B     0.344     0    0.035   0.048     0.391  100.000  100.000
LGA    D    62_B      D    62_B     0.294     0    0.106   0.300     1.578   97.619   90.714
LGA    S    63_B      S    63_B     0.485     0    0.165   0.159     0.976   97.619   95.238
LGA    V    64_B      V    64_B     0.333     0    0.049   0.094     0.631  100.000   98.639
LGA    K    65_B      K    65_B     0.272     0    0.044   0.722     2.871  100.000   88.095
LGA    G    66_B      G    66_B     0.447     0    0.022   0.022     0.596   95.238   95.238
LGA    R    67_B      R    67_B     0.432     0    0.042   0.085     0.471  100.000  100.000
LGA    F    68_B      F    68_B     0.454     0    0.047   0.127     0.806   95.238   95.671
LGA    T    69_B      T    69_B     0.579     0    0.112   0.185     0.922   90.476   90.476
LGA    I    70_B      I    70_B     0.788     0    0.029   0.091     1.100   90.476   89.345
LGA    S    71_B      S    71_B     0.782     0    0.080   0.086     0.851   90.476   90.476
LGA    R    72_B      R    72_B     0.434     0    0.043   0.602     1.816   97.619   92.381
LGA    D    73_B      D    73_B     0.149     0    0.071   0.305     1.111  100.000   96.488
LGA    N    74_B      N    74_B     0.348     0    0.019   0.891     2.117  100.000   92.202
LGA    A    75_B      A    75_B     0.504     0    0.058   0.062     0.589   95.238   94.286
LGA    K    76_B      K    76_B     0.493     0    0.051   0.930     2.659   97.619   86.085
LGA    N    77_B      N    77_B     0.265     0    0.009   0.352     1.221   97.619   96.488
LGA    T    78_B      T    78_B     0.553     0    0.099   1.044     2.261   95.238   85.850
LGA    L    79_B      L    79_B     0.451     0    0.030   0.049     0.818  100.000   95.238
LGA    Y    80_B      Y    80_B     0.360     0    0.096   0.163     1.321   95.357   89.841
LGA    L    81_B      L    81_B     0.364     0    0.027   0.182     0.680  100.000   98.810
LGA    Q    82_B      Q    82_B     0.580     0    0.015   0.152     0.708   95.238   92.593
LGA    M    83_B      M    83_B     0.617     0    0.024   0.635     1.872   90.476   88.274
LGA    N    84_B      N    84_B     0.522     0    0.085   0.314     0.909   90.476   92.857
LGA    S    85_B      S    85_B     1.035     0    0.077   0.101     1.438   83.690   84.444
LGA    L    86_B      L    86_B     0.632     0    0.090   0.123     0.939   90.476   94.048
LGA    R    87_B      R    87_B     0.533     0    0.007   1.363     5.382   90.476   71.948
LGA    A    88_B      A    88_B     0.500     0    0.083   0.082     0.714   90.476   90.476
LGA    E    89_B      E    89_B     0.584     0    0.043   0.512     1.601   90.476   88.519
LGA    D    90_B      D    90_B     0.483     0    0.014   0.065     0.497  100.000  100.000
LGA    T    91_B      T    91_B     0.493     0    0.017   0.046     0.702   97.619   94.558
LGA    A    92_B      A    92_B     0.383     0    0.051   0.082     0.481  100.000  100.000
LGA    V    93_B      V    93_B     0.386     0    0.040   0.170     0.618  100.000   97.279
LGA    Y    94_B      Y    94_B     0.339     0    0.154   0.143     1.003   95.357   98.452
LGA    Y    95_B      Y    95_B     0.297     0    0.049   0.120     0.482  100.000  100.000
LGA    C    96_B      C    96_B     0.320     0    0.035   0.905     2.601  100.000   92.857
LGA    A    97_B      A    97_B     0.270     0    0.046   0.056     0.387  100.000  100.000
LGA    T    98_B      T    98_B     0.564     0    0.093   0.981     2.703   92.857   83.401
LGA    D    99_B      D    99_B     1.164     0    0.572   1.060     5.302   81.548   63.214
LGA    S   100_B      S   100_B     3.496     0    0.729   0.862     7.789   43.929   34.048
LGA    G   101_B      G   101_B     6.348     0    0.165   0.165     8.724   12.738   12.738
LGA    D   102_B      D   102_B    11.697     0    0.011   0.289    16.090    0.357    0.179
LGA    G   103_B      G   103_B    16.712     0    0.076   0.076    17.706    0.000    0.000
LGA    K   104_B      K   104_B    21.045     0    0.656   0.805    31.316    0.000    0.000
LGA    R   105_B      R   105_B    16.961     0    0.038   0.619    18.271    0.000    0.606
LGA    Y   106_B      Y   106_B    17.573     0    0.551   1.480    28.346    0.000    0.000
LGA    W   107_B      W   107_B    13.431     0    0.083   1.335    15.781    0.000    0.000
LGA    S   108_B      S   108_B     9.811     0    0.141   0.132    10.918    3.095    2.381
LGA    G   109_B      G   109_B     7.166     0    0.630   0.630     8.061   16.786   16.786
LGA    E   110_B      E   110_B     4.797     0    0.058   1.073    10.046   32.976   16.138
LGA    Y   111_B      Y   111_B     4.248     0    0.276   1.131     6.281   34.524   36.905
LGA    F   112_B      F   112_B     2.665     0    0.115   1.265     8.521   57.262   37.835
LGA    Y   113_B      Y   113_B     1.185     0    0.158   1.320     6.610   77.143   62.738
LGA    R   114_B      R   114_B     1.661     0    0.020   1.241     8.655   77.143   46.320
LGA    S   115_B      S   115_B     0.672     0    0.044   0.658     2.522   95.238   88.095
LGA    R   116_B      R   116_B     0.594     0    0.125   1.265     5.534   92.857   75.238
LGA    G   117_B      G   117_B     0.428     0    0.021   0.021     0.654   95.238   95.238
LGA    Q   118_B      Q   118_B     1.007     0    0.631   0.804     3.520   74.167   73.545
LGA    G   119_B      G   119_B     0.807     0    0.066   0.066     1.326   88.214   88.214
LGA    T   120_B      T   120_B     0.356     0    0.072   0.997     2.283   97.619   88.367
LGA    L   121_B      L   121_B     0.241     0    0.042   0.227     1.114  100.000   97.679
LGA    V   122_B      V   122_B     0.400     0    0.023   0.134     0.563  100.000   97.279
LGA    T   123_B      T   123_B     0.338     0    0.066   0.519     1.517   97.619   92.109
LGA    V   124_B      V   124_B     0.325     0    0.047   0.074     0.838   95.238   94.558
LGA    S   125_B      S   125_B     0.921     0    0.105   0.511     1.694   90.476   86.032
LGA    S   126_B      S   126_B     1.578     0    0.592   0.667     4.795   60.714   58.333

# 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):     3.591          3.571                  4.398           84.547   79.861

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    116    0.95    89.087    84.828    11.034

LGA_LOCAL      RMSD:   0.951  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.936  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   3.591  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.010138 * X  +  -0.262921 * Y  +   0.964764 * Z  + -37.018219
  Y_new =  -0.711547 * X  +   0.675982 * Y  +   0.191699 * Z  + -16.663330
  Z_new =  -0.702565 * X  +  -0.688419 * Y  +  -0.180228 * Z  + -47.857605 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.556549  0.778996 -1.826849   [DEG:  -89.1837   44.6332 -104.6708 ]
ZXZ:  1.766942  1.752014 -2.346025   [DEG:  101.2383  100.3830 -134.4173 ]
 
# END of job
