
#######################################################
#                                                     #
#                        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  222 ( 1696),  selected  222 , name one
# Molecule2: number of CA atoms  222 ( 1696),  selected  222 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   142      61_A - 202_A       4.84    47.59
  LONGEST_CONTINUOUS_SEGMENT:   142      62_A - 203_A       4.67    48.08
  LONGEST_CONTINUOUS_SEGMENT:   142      63_A - 204_A       4.69    48.54
  LONGEST_CONTINUOUS_SEGMENT:   142      64_A - 205_A       4.96    48.84
  LCS_AVERAGE:     44.58

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   130      71_A - 200_A       2.00    51.35
  LCS_AVERAGE:     35.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126      74_A - 199_A       0.95    52.17
  LONGEST_CONTINUOUS_SEGMENT:   126      75_A - 200_A       0.81    52.22
  LCS_AVERAGE:     33.10

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  222
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     G     1_A     G     1_A      3    5   14      0    3    3    3    4    6    8    9   10   11   11   12   15   18   20   21   22   24   26   28 
LCS_GDT     P     2_A     P     2_A      3    5   14      3    3    4    4    5    6    8    9   10   11   11   13   15   18   20   21   22   24   26   28 
LCS_GDT     H     3_A     H     3_A      3    5   14      3    3    4    4    5    6    8    9   10   11   11   13   15   18   20   21   22   24   26   28 
LCS_GDT     M     4_A     M     4_A      3    5   14      3    3    4    4    5    5    7    9   10   11   11   13   15   18   20   21   22   24   26   28 
LCS_GDT     E     5_A     E     5_A      3    5   14      3    3    4    4    5    6    8    9   10   11   11   13   15   18   20   21   22   24   26   28 
LCS_GDT     Q     6_A     Q     6_A      3    5   14      3    3    4    4    5    6    8    9   10   11   11   12   13   14   16   21   22   24   25   28 
LCS_GDT     L     7_A     L     7_A      4    4   14      3    3    4    4    5    5    8    9   10   11   11   13   15   18   20   21   22   24   26   28 
LCS_GDT     E     8_A     E     8_A      4    4   14      3    3    4    4    5    6    8    9   10   11   11   13   15   18   20   21   22   24   26   28 
LCS_GDT     G     9_A     G     9_A      4    4   14      3    3    4    4    5    5    8    9   10   11   11   13   15   18   20   21   22   24   26   28 
LCS_GDT     I    10_A     I    10_A      4    4   14      3    3    4    4    5    5    7    8   10   11   11   13   15   18   20   21   22   24   26   28 
LCS_GDT     M    11_A     M    11_A      3    5   14      3    3    3    3    5    5    7    8    9   11   11   13   15   17   20   21   22   24   25   28 
LCS_GDT     L    12_A     L    12_A      4    5   14      4    4    4    4    5    6    7    8    9   10   11   13   15   18   20   21   22   24   26   28 
LCS_GDT     S    13_A     S    13_A      4    5   14      4    4    4    4    5    6    7    8    9   10   11   13   15   18   20   21   22   24   26   28 
LCS_GDT     P    14_A     P    14_A      4    5   14      4    4    4    4    5    6    7    8    9   10   11   13   15   18   20   21   22   24   26   28 
LCS_GDT     A    15_A     A    15_A      4    5   14      4    4    4    4    5    6    6    8    9   10   11   13   15   18   20   21   22   24   26   28 
LCS_GDT     F    16_A     F    16_A      3    5   14      3    3    3    4    5    5    5    6    7    8    9   11   13   13   16   17   21   22   23   24 
LCS_GDT     Q    17_A     Q    17_A      3    4   14      3    3    3    3    5    6    6    7    8    9   11   13   15   18   20   21   22   24   26   28 
LCS_GDT     E    18_A     E    18_A      3    4   14      3    3    3    3    4    6    6    7    8    9   11   13   15   18   20   21   22   24   26   28 
LCS_GDT     Q    19_A     Q    19_A      3    3   14      3    3    3    3    3    4    6    7    7    8   11   12   14   17   20   21   22   23   26   28 
LCS_GDT     M    20_A     M    20_A      3    3   14      1    3    3    3    3    4    4    6    7    8    9   10   13   16   20   21   22   23   26   28 
LCS_GDT     N    21_A     N    21_A      3    3   13      3    3    3    3    3    4    4    7    8    8   11   13   15   18   20   21   22   24   26   28 
LCS_GDT     A    22_A     A    22_A      3    3   13      3    3    3    3    3    4    6    7    8    8   11   13   14   18   20   21   22   24   26   28 
LCS_GDT     L    23_A     L    23_A      3    4   13      3    3    3    3    4    4    5    7    8    8   11   13   15   18   20   21   22   24   26   28 
LCS_GDT     M    24_A     M    24_A      3    5   11      3    3    3    3    5    5    6    7    8    8    9   11   14   17   19   21   22   24   26   28 
LCS_GDT     L    25_A     L    25_A      4    5   11      3    4    4    4    5    5    6    7    8    9    9   10   11   15   18   19   21   24   26   28 
LCS_GDT     D    26_A     D    26_A      4    5   11      3    4    4    4    5    5    6    7    8    9    9   10   11   15   18   19   21   24   26   28 
LCS_GDT     P    27_A     P    27_A      4    5   11      3    4    4    4    5    5    6    7    8    9    9   10   11   15   18   19   21   24   26   28 
LCS_GDT     R    28_A     R    28_A      4    5   11      3    4    4    4    5    5    6    6    8    9    9   10   11   15   18   19   21   24   26   28 
LCS_GDT     M    29_A     M    29_A      3    5   11      3    3    3    4    4    5    5    6    7    9    9   10   11   13   13   15   16   24   26   28 
LCS_GDT     L    30_A     L    30_A      3    3   11      3    3    3    3    4    5    5    6    7    9    9   10   11   13   13   15   16   18   23   28 
LCS_GDT     D    31_A     D    31_A      3    3   11      3    3    3    3    4    4    4    6    7    9    9   10   11   13   13   15   16   17   23   24 
LCS_GDT     M    32_A     M    32_A      3    3   11      3    3    3    3    4    4    4    6    7    9    9   10   11   13   13   15   16   19   23   28 
LCS_GDT     M    33_A     M    33_A      3    3   11      3    3    3    3    4    5    5    6    7    9    9   10   11   13   13   15   16   17   18   20 
LCS_GDT     I    34_A     I    34_A      3    3   11      3    3    3    3    4    5    5    6    7    8    9   10   11   13   13   15   16   17   18   20 
LCS_GDT     D    35_A     D    35_A      3    4   11      3    3    3    3    4    5    5    6    7    8    9   10   11   13   13   15   16   17   18   20 
LCS_GDT     Q    36_A     Q    36_A      4    4   19      3    3    4    4    4    5    5    7    7    9   12   13   16   18   19   21   22   22   23   23 
LCS_GDT     N    37_A     N    37_A      4    4   21      3    3    4    4    4    5    5    7    8   11   12   15   17   19   21   21   22   22   24   24 
LCS_GDT     P    38_A     P    38_A      4    4   21      3    3    4    4    6    7    9   11   12   14   16   17   20   20   21   23   24   24   24   24 
LCS_GDT     Q    39_A     Q    39_A      4    7   21      3    3    4    5    6    7    9   11   12   14   16   17   20   20   21   23   24   24   24   24 
LCS_GDT     L    40_A     L    40_A      3    7   21      3    3    4    5    6    7    9   11   12   14   16   17   20   20   21   23   24   24   24   24 
LCS_GDT     R    41_A     R    41_A      3    7   21      3    3    4    5    6    7    9   11   12   14   16   17   20   20   21   23   24   24   24   24 
LCS_GDT     N    42_A     N    42_A      4    7   21      3    3    4    5    6    7    9   11   12   14   16   17   20   20   21   23   24   24   24   24 
LCS_GDT     M    43_A     M    43_A      4    7   21      3    3    4    5    6    7    9   11   12   14   16   17   20   20   21   23   24   24   24   24 
LCS_GDT     G    44_A     G    44_A      4    7   21      3    3    4    5    6    7    9   11   12   14   16   17   20   20   21   23   24   24   24   24 
LCS_GDT     P    45_A     P    45_A      4    7   21      3    3    4    5    6    7    9   11   12   14   16   17   20   20   21   23   24   24   24   24 
LCS_GDT     E    46_A     E    46_A      3    5   21      3    3    4    4    6    7    9   10   12   14   16   17   20   20   21   23   24   24   24   24 
LCS_GDT     A    47_A     A    47_A      3    5   21      3    3    3    3    5    6    9   10   11   13   16   17   20   20   21   23   24   24   24   24 
LCS_GDT     R    48_A     R    48_A      3    4   21      3    3    3    3    4    4    6   10   12   14   16   17   20   20   21   23   24   24   24   24 
LCS_GDT     Q    49_A     Q    49_A      3    4   21      3    3    3    5    5    7    9   11   12   14   16   17   20   20   21   23   24   24   24   30 
LCS_GDT     M    50_A     M    50_A      3    4   21      3    3    3    3    4    5    9   10   12   14   16   17   20   20   21   23   24   24   24   32 
LCS_GDT     L    51_A     L    51_A      3    4   21      3    3    3    3    4    4    6    8   11   14   16   17   20   20   21   23   24   24   24   24 
LCS_GDT     R    52_A     R    52_A      3    4   21      3    3    3    5    5    7    8   11   11   14   16   17   20   20   21   23   24   24   24   32 
LCS_GDT     P    53_A     P    53_A      3    4   21      3    3    3    4    4    7    8   11   11   14   16   17   21   22   24   25   28   28   30   38 
LCS_GDT     M    54_A     M    54_A      3    4   21      3    3    3    4    4    5    6    6   11   14   16   17   20   22   24   25   28   28   46   47 
LCS_GDT     F    55_A     F    55_A      3    4   21      3    3    3    4    5    5    6    8   11   12   16   17   21   22   24   25   28   28   46   47 
LCS_GDT     R    56_A     R    56_A      3    4   21      3    3    3    4    4    6    6    9   11   12   19   19   25   26   29   46   52   60   65   71 
LCS_GDT     E    57_A     E    57_A      3    4   21      3    3    3    4    4    6    7   12   14   18   25   28   35   37   43   54   61   65   73   76 
LCS_GDT     M    58_A     M    58_A      3    4   13      3    3    3    3    3    4    6    6    8   10   12   21   25   26   29   46   52   65   73   76 
LCS_GDT     M    59_A     M    59_A      3    4   13      3    3    3    5    8    9   10   13   18   21   27   30   35   37   48   54   61   65   73   76 
LCS_GDT     S    60_A     S    60_A      4    5   12      3    4    4    6   10   12   15   19   22   27   39   50   57   62   76   83   90  101  109  119 
LCS_GDT     N    61_A     N    61_A      4    5  142      3    4    4    4    5   10   19   25   35   47   55   69   77   87   98  105  118  123  129  135 
LCS_GDT     P    62_A     P    62_A      4    5  142      3    4    4    4    8   15   20   30   39   47   57   69   77   90   99  106  118  125  130  135 
LCS_GDT     E    63_A     E    63_A      4    5  142      3    4    4    4    5   21   33   47   59   69   84   99  110  122  130  133  136  137  137  137 
LCS_GDT     S    64_A     S    64_A      3    5  142      3    3    3   13   20   26   36   47   62   76   91  103  115  122  130  135  136  137  137  137 
LCS_GDT     M    65_A     M    65_A      3    3  142      3    3    3   11   22   27   36   53   64   76   96  106  116  127  131  135  136  137  137  137 
LCS_GDT     R    66_A     R    66_A      3    3  142      3    3    3    4    4    5   13   22   31   51   82  105  113  127  133  135  136  137  137  137 
LCS_GDT     S    67_A     S    67_A      3    4  142      3    3    3   19   33   48   74   97  120  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     M    68_A     M    68_A      3    4  142      3    3    3    3    3   22   29   73   84  108  127  130  132  132  133  135  136  137  137  137 
LCS_GDT     M    69_A     M    69_A      3    4  142      3    3    3    3    3    7   13   46   51   69   80  120  132  132  133  135  136  137  137  137 
LCS_GDT     N    70_A     N    70_A      3    4  142      3    3    7   12   16   27   34   46   51   60   65   70   93  132  133  133  134  135  135  136 
LCS_GDT     M    71_A     M    71_A      3  130  142      3    3    9   21   39   58  102  120  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     G    72_A     G    72_A      4  130  142      3    4    4    4    4    7   14   16   70  106  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     R    73_A     R    73_A      4  130  142      3    4    4    4    4   10   14   16   28   81  104  126  132  132  133  135  136  137  137  137 
LCS_GDT     A    74_A     A    74_A    126  130  142      3    4    6    9   12   52   93  117  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     W    75_A     W    75_A    126  130  142      3   43  112  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     G    76_A     G    76_A    126  130  142     16   78  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     S    77_A     S    77_A    126  130  142     44  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     K    78_A     K    78_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     K    79_A     K    79_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     I    80_A     I    80_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     L    81_A     L    81_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     I    82_A     I    82_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     V    83_A     V    83_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     E    84_A     E    84_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     S    85_A     S    85_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     D    86_A     D    86_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     T    87_A     T    87_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     A    88_A     A    88_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     L    89_A     L    89_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     S    90_A     S    90_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     A    91_A     A    91_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     T    92_A     T    92_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     L    93_A     L    93_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     R    94_A     R    94_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     S    95_A     S    95_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     A    96_A     A    96_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     L    97_A     L    97_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     E    98_A     E    98_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     G    99_A     G    99_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     R   100_A     R   100_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     G   101_A     G   101_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     F   102_A     F   102_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     T   103_A     T   103_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     V   104_A     V   104_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     D   105_A     D   105_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     E   106_A     E   106_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     T   107_A     T   107_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     T   108_A     T   108_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     D   109_A     D   109_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     G   110_A     G   110_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     K   111_A     K   111_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     G   112_A     G   112_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     S   113_A     S   113_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     V   114_A     V   114_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     E   115_A     E   115_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     Q   116_A     Q   116_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     I   117_A     I   117_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     R   118_A     R   118_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     R   119_A     R   119_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     D   120_A     D   120_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     R   121_A     R   121_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     P   122_A     P   122_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     D   123_A     D   123_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     L   124_A     L   124_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     V   125_A     V   125_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     V   126_A     V   126_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     L   127_A     L   127_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     A   128_A     A   128_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     V   129_A     V   129_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     D   130_A     D   130_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     L   131_A     L   131_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     S   132_A     S   132_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     A   133_A     A   133_A    126  130  142     18  107  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     G   134_A     G   134_A    126  130  142      9   61  119  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     Q   135_A     Q   135_A    126  130  142     18  107  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     N   136_A     N   136_A    126  130  142     21  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     G   137_A     G   137_A    126  130  142     38  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     Y   138_A     Y   138_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     L   139_A     L   139_A    126  130  142     96  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     I   140_A     I   140_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     C   141_A     C   141_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     G   142_A     G   142_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     K   143_A     K   143_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     L   144_A     L   144_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     K   145_A     K   145_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     K   146_A     K   146_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     D   147_A     D   147_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     D   148_A     D   148_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     D   149_A     D   149_A    126  130  142     97  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     L   150_A     L   150_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     K   151_A     K   151_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     N   152_A     N   152_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     V   153_A     V   153_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     P   154_A     P   154_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     I   155_A     I   155_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     V   156_A     V   156_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     I   157_A     I   157_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     I   158_A     I   158_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     G   159_A     G   159_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     N   160_A     N   160_A    126  130  142     96  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     P   161_A     P   161_A    126  130  142     84  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     D   162_A     D   162_A    126  130  142     92  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     G   163_A     G   163_A    126  130  142     10  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     F   164_A     F   164_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     A   165_A     A   165_A    126  130  142     76  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     Q   166_A     Q   166_A    126  130  142     64  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     H   167_A     H   167_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     R   168_A     R   168_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     K   169_A     K   169_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     L   170_A     L   170_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     K   171_A     K   171_A    126  130  142     35  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     A   172_A     A   172_A    126  130  142      4  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     H   173_A     H   173_A    126  130  142     76  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     A   174_A     A   174_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     D   175_A     D   175_A    126  130  142     97  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     E   176_A     E   176_A    126  130  142     97  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     Y   177_A     Y   177_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     V   178_A     V   178_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     A   179_A     A   179_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     K   180_A     K   180_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     P   181_A     P   181_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     V   182_A     V   182_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     D   183_A     D   183_A    126  130  142     90  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     A   184_A     A   184_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     D   185_A     D   185_A    126  130  142     97  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     Q   186_A     Q   186_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     L   187_A     L   187_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     V   188_A     V   188_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     E   189_A     E   189_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     R   190_A     R   190_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     A   191_A     A   191_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     G   192_A     G   192_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     A   193_A     A   193_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     L   194_A     L   194_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     I   195_A     I   195_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     G   196_A     G   196_A    126  130  142     36  115  121  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     F   197_A     F   197_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     P   198_A     P   198_A    126  130  142    100  117  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     E   199_A     E   199_A    126  130  142     17  102  122  125  125  125  126  126  127  127  128  130  132  132  133  135  136  137  137  137 
LCS_GDT     G   200_A     G   200_A    126  130  142      3    4   47   88  114  123  126  126  126  126  127  127  128  130  132  133  134  137  137  137 
LCS_GDT     N   201_A     N   201_A      3  129  142      0    3   12   24   36   51   71   90  114  119  125  126  128  128  128  130  132  132  133  134 
LCS_GDT     S   202_A     S   202_A      3  129  142      0    3   12   24   36   50   70   89  114  119  125  126  128  128  128  130  132  132  133  134 
LCS_GDT     M   203_A     M   203_A      3  128  142      0    3    6    9   13   24   35   53   70   88  103  114  120  124  128  130  132  132  133  134 
LCS_GDT     M   204_A     M   204_A      3    4  142      0    3    4    4    4    7    9   13   24   31   36   44   50   59   73   93  111  121  130  134 
LCS_GDT     I   205_A     I   205_A      3    4  142      0    3    3    3    4    5    6    7   13   14   18   19   26   54   60   65   86  100  116  128 
LCS_GDT     A   206_A     A   206_A      3    4  140      0    3    3    4    4    5    6    7   13   16   32   35   50   59   73   81   94  113  122  131 
LCS_GDT     L   207_A     L   207_A      3    4  137      0    3    3    4    4    5    5    6   13   14   15   17   19   22   35   39   43   50   83   91 
LCS_GDT     G   208_A     G   208_A      3    4   11      3    3    3    4    4    5    5    6   13   14   15   17   20   28   35   39   43   50   53   56 
LCS_GDT     V   209_A     V   209_A      3    4   11      3    3    3    4    4    5    5    6   10   16   28   51   58   71   80   93  103  117  127  132 
LCS_GDT     A   210_A     A   210_A      3    4   11      3    3    6    9   12   17   22   27   36   45   56   66   79   89  104  114  120  128  131  134 
LCS_GDT     C   211_A     C   211_A      3    4   11      0    3    6    9   12   16   22   27   38   46   56   67   80   89  104  114  120  128  131  134 
LCS_GDT     A   212_A     A   212_A      3    4   11      3    3    3    6   11   16   24   38   44   58   70   82   97  108  114  121  127  129  133  134 
LCS_GDT     I   213_A     I   213_A      3    3   11      3    6    9   15   27   37   46   60   75   91  105  115  120  125  127  130  132  132  133  134 
LCS_GDT     A   214_A     A   214_A      3    3   11      3    4    8   15   23   32   44   53   67   81   99  110  118  123  125  130  132  132  133  134 
LCS_GDT     L   215_A     L   215_A      3    3   10      3    3    5    7   11   20   30   41   56   68   79   91  105  115  123  126  132  132  133  134 
LCS_GDT     A   216_A     A   216_A      3    3   10      3    3    3    4   12   21   29   44   57   70   84   99  115  123  125  129  132  132  133  134 
LCS_GDT     I   217_A     I   217_A      3    3   10      3    3    3    3    6    9   13   20   45   60   77   91  116  123  125  130  132  132  133  134 
LCS_GDT     A   218_A     A   218_A      3    3   10      1    3    3    3    3    9   13   37   47   63   80  105  116  123  125  130  132  132  133  134 
LCS_GDT     A   219_A     A   219_A      3    3   10      3    3    3    3    4    4    6    6   13   15   27   32   35   40   64   73   93  112  129  132 
LCS_GDT     V   220_A     V   220_A      3    3   10      3    3    3    3    4    4    6    6    8   11   12   12   26   28   32   36   43   47   51   56 
LCS_GDT     Y   221_A     Y   221_A      3    3    9      3    3    3    3    4    4    4    5    6    6    8    9    9   10   13   20   23   29   29   30 
LCS_GDT     F   222_A     F   222_A      3    3    9      3    3    3    3    4    4    4    4    4    5    7    7    8    8    9   11   11   15   37   40 
LCS_AVERAGE  LCS_A:  37.84  (  33.10   35.85   44.58 )

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    100    117    122    125    125    125    126    126    127    127    128    130    132    132    133    135    136    137    137    137 
GDT PERCENT_AT  45.05  52.70  54.95  56.31  56.31  56.31  56.76  56.76  57.21  57.21  57.66  58.56  59.46  59.46  59.91  60.81  61.26  61.71  61.71  61.71
GDT RMS_LOCAL    0.28   0.39   0.55   0.65   0.65   0.65   0.81   0.81   1.26   1.26   1.65   2.19   2.59   2.59   2.76   3.48   3.72   3.76   3.76   3.76
GDT RMS_ALL_AT  52.60  52.57  52.39  52.31  52.31  52.31  52.22  52.22  51.97  51.97  51.53  50.93  50.50  50.50  50.46  49.06  48.60  48.62  48.62  48.62

# Checking swapping
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  E    18_A      E    18_A
#   possible swapping detected:  D    26_A      D    26_A
#   possible swapping detected:  D    31_A      D    31_A
#   possible swapping detected:  D    35_A      D    35_A
#   possible swapping detected:  F   102_A      F   102_A
#   possible swapping detected:  D   105_A      D   105_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  D   149_A      D   149_A
#   possible swapping detected:  E   176_A      E   176_A
#   possible swapping detected:  D   183_A      D   183_A
#   possible swapping detected:  D   185_A      D   185_A
#   possible swapping detected:  E   189_A      E   189_A
#   possible swapping detected:  E   199_A      E   199_A
#   possible swapping detected:  Y   221_A      Y   221_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A   116.129     0    0.132   0.132   119.486    0.000    0.000
LGA    P     2_A      P     2_A   122.348     0    0.630   0.543   123.294    0.000    0.000
LGA    H     3_A      H     3_A   125.258     0    0.247   1.095   127.523    0.000    0.000
LGA    M     4_A      M     4_A   125.674     0    0.638   1.160   129.938    0.000    0.000
LGA    E     5_A      E     5_A   124.575     0    0.607   1.294   127.346    0.000    0.000
LGA    Q     6_A      Q     6_A   130.830     0    0.631   0.715   139.382    0.000    0.000
LGA    L     7_A      L     7_A   129.289     0    0.606   0.852   132.208    0.000    0.000
LGA    E     8_A      E     8_A   124.824     0    0.651   1.057   125.907    0.000    0.000
LGA    G     9_A      G     9_A   124.491     0    0.271   0.271   125.465    0.000    0.000
LGA    I    10_A      I    10_A   128.333     0    0.604   1.115   131.968    0.000    0.000
LGA    M    11_A      M    11_A   124.027     0    0.649   0.968   125.152    0.000    0.000
LGA    L    12_A      L    12_A   123.277     0    0.593   0.936   123.599    0.000    0.000
LGA    S    13_A      S    13_A   123.284     0    0.036   0.060   124.044    0.000    0.000
LGA    P    14_A      P    14_A   123.882     0    0.122   0.401   124.354    0.000    0.000
LGA    A    15_A      A    15_A   124.787     0    0.619   0.597   126.990    0.000    0.000
LGA    F    16_A      F    16_A   123.931     0    0.616   1.347   123.931    0.000    0.000
LGA    Q    17_A      Q    17_A   123.431     0    0.610   1.064   123.955    0.000    0.000
LGA    E    18_A      E    18_A   123.765     0    0.652   0.917   125.356    0.000    0.000
LGA    Q    19_A      Q    19_A   125.826     0    0.610   1.162   132.642    0.000    0.000
LGA    M    20_A      M    20_A   120.258     0    0.620   1.339   122.022    0.000    0.000
LGA    N    21_A      N    21_A   121.497     0    0.599   1.011   122.885    0.000    0.000
LGA    A    22_A      A    22_A   122.501     0    0.596   0.573   123.346    0.000    0.000
LGA    L    23_A      L    23_A   123.092     0    0.605   1.267   126.890    0.000    0.000
LGA    M    24_A      M    24_A   117.350     0    0.617   1.257   119.224    0.000    0.000
LGA    L    25_A      L    25_A   119.977     0    0.615   1.106   125.414    0.000    0.000
LGA    D    26_A      D    26_A   119.379     0    0.176   0.694   119.885    0.000    0.000
LGA    P    27_A      P    27_A   116.242     0    0.646   0.514   119.066    0.000    0.000
LGA    R    28_A      R    28_A   115.966     0    0.604   1.217   121.830    0.000    0.000
LGA    M    29_A      M    29_A   112.396     0    0.586   1.169   115.527    0.000    0.000
LGA    L    30_A      L    30_A   106.535     0    0.643   0.655   108.543    0.000    0.000
LGA    D    31_A      D    31_A   102.941     0    0.592   1.299   104.501    0.000    0.000
LGA    M    32_A      M    32_A   103.231     0    0.587   0.905   106.566    0.000    0.000
LGA    M    33_A      M    33_A    98.530     0    0.628   1.216   100.286    0.000    0.000
LGA    I    34_A      I    34_A    91.933     0    0.588   1.251    94.263    0.000    0.000
LGA    D    35_A      D    35_A    91.273     0    0.697   1.242    93.596    0.000    0.000
LGA    Q    36_A      Q    36_A    89.479     0    0.664   0.941    90.126    0.000    0.000
LGA    N    37_A      N    37_A    84.863     0    0.174   1.145    86.508    0.000    0.000
LGA    P    38_A      P    38_A    81.247     0    0.633   0.720    84.900    0.000    0.000
LGA    Q    39_A      Q    39_A    74.087     0    0.684   1.354    76.686    0.000    0.000
LGA    L    40_A      L    40_A    71.264     0    0.636   0.961    72.508    0.000    0.000
LGA    R    41_A      R    41_A    71.643     0    0.145   1.415    76.167    0.000    0.000
LGA    N    42_A      N    42_A    66.174     0    0.696   0.653    68.256    0.000    0.000
LGA    M    43_A      M    43_A    62.979     0    0.040   0.863    65.122    0.000    0.000
LGA    G    44_A      G    44_A    61.820     0    0.137   0.137    62.199    0.000    0.000
LGA    P    45_A      P    45_A    60.386     0    0.666   0.581    61.179    0.000    0.000
LGA    E    46_A      E    46_A    55.256     0    0.610   0.841    57.039    0.000    0.000
LGA    A    47_A      A    47_A    51.556     0    0.626   0.611    53.128    0.000    0.000
LGA    R    48_A      R    48_A    53.101     0    0.654   1.616    58.442    0.000    0.000
LGA    Q    49_A      Q    49_A    53.793     0    0.680   1.409    55.965    0.000    0.000
LGA    M    50_A      M    50_A    49.902     0    0.711   1.183    51.619    0.000    0.000
LGA    L    51_A      L    51_A    53.421     0    0.598   0.997    56.373    0.000    0.000
LGA    R    52_A      R    52_A    54.157     0    0.590   1.347    63.810    0.000    0.000
LGA    P    53_A      P    53_A    51.855     0    0.661   0.643    52.324    0.000    0.000
LGA    M    54_A      M    54_A    50.085     0    0.636   1.102    51.370    0.000    0.000
LGA    F    55_A      F    55_A    49.197     0    0.533   1.284    50.369    0.000    0.000
LGA    R    56_A      R    56_A    47.894     0    0.388   1.339    53.315    0.000    0.000
LGA    E    57_A      E    57_A    44.855     0    0.639   1.403    45.836    0.000    0.000
LGA    M    58_A      M    58_A    43.139     0    0.606   1.001    46.272    0.000    0.000
LGA    M    59_A      M    59_A    42.937     0    0.688   1.191    44.535    0.000    0.000
LGA    S    60_A      S    60_A    38.127     0    0.657   0.752    40.144    0.000    0.000
LGA    N    61_A      N    61_A    32.489     0    0.062   1.138    34.288    0.000    0.000
LGA    P    62_A      P    62_A    30.305     0    0.531   0.499    33.299    0.000    0.000
LGA    E    63_A      E    63_A    23.386     0    0.632   1.021    25.596    0.000    0.000
LGA    S    64_A      S    64_A    22.180     0    0.595   0.671    26.504    0.000    0.000
LGA    M    65_A      M    65_A    20.777     0    0.624   0.870    22.694    0.000    0.000
LGA    R    66_A      R    66_A    19.688     0    0.626   1.579    27.625    0.000    0.000
LGA    S    67_A      S    67_A    13.521     0    0.603   0.982    15.888    0.000    0.000
LGA    M    68_A      M    68_A    14.804     0    0.624   1.138    17.814    0.000    0.000
LGA    M    69_A      M    69_A    15.017     0    0.626   0.583    15.443    0.000    0.000
LGA    N    70_A      N    70_A    14.519     0    0.655   0.949    19.387    0.000    0.000
LGA    M    71_A      M    71_A     9.999     0    0.542   1.021    12.024    0.119    5.833
LGA    G    72_A      G    72_A    12.488     0    0.627   0.627    12.488    0.000    0.000
LGA    R    73_A      R    73_A    13.450     0    0.074   1.692    20.140    0.357    0.130
LGA    A    74_A      A    74_A     7.819     0    0.662   0.615    10.046   12.500   10.286
LGA    W    75_A      W    75_A     3.010     0    0.605   1.112     5.467   52.738   48.231
LGA    G    76_A      G    76_A     2.380     0    0.043   0.043     3.196   65.119   65.119
LGA    S    77_A      S    77_A     1.141     0    0.038   0.147     1.836   81.548   81.508
LGA    K    78_A      K    78_A     0.623     0    0.057   0.764     3.941   97.619   79.894
LGA    K    79_A      K    79_A     0.373     0    0.040   1.125     2.967  100.000   85.344
LGA    I    80_A      I    80_A     0.162     0    0.040   0.560     1.622  100.000   96.607
LGA    L    81_A      L    81_A     0.200     0    0.038   0.078     0.524  100.000   98.810
LGA    I    82_A      I    82_A     0.195     0    0.035   0.163     0.674  100.000   98.810
LGA    V    83_A      V    83_A     0.188     0    0.026   0.080     0.327  100.000  100.000
LGA    E    84_A      E    84_A     0.243     0    0.032   0.100     0.668  100.000   96.825
LGA    S    85_A      S    85_A     0.287     0    0.060   0.640     2.337   97.619   92.540
LGA    D    86_A      D    86_A     0.484     0    0.056   0.925     3.277  100.000   85.774
LGA    T    87_A      T    87_A     0.287     0    0.034   0.162     0.716  100.000   98.639
LGA    A    88_A      A    88_A     0.161     0    0.032   0.039     0.325  100.000  100.000
LGA    L    89_A      L    89_A     0.270     0    0.044   0.130     0.657  100.000   97.619
LGA    S    90_A      S    90_A     0.023     0    0.028   0.064     0.390  100.000  100.000
LGA    A    91_A      A    91_A     0.158     0    0.030   0.043     0.359  100.000  100.000
LGA    T    92_A      T    92_A     0.187     0    0.041   0.137     0.422  100.000  100.000
LGA    L    93_A      L    93_A     0.153     0    0.044   0.079     0.238  100.000  100.000
LGA    R    94_A      R    94_A     0.224     0    0.034   0.914     3.351  100.000   87.879
LGA    S    95_A      S    95_A     0.424     0    0.061   0.646     2.445  100.000   92.540
LGA    A    96_A      A    96_A     0.291     0    0.024   0.046     0.397  100.000  100.000
LGA    L    97_A      L    97_A     0.183     0    0.031   0.655     2.016  100.000   92.083
LGA    E    98_A      E    98_A     0.227     0    0.032   0.265     1.082  100.000   95.820
LGA    G    99_A      G    99_A     0.383     0    0.104   0.104     0.905   97.619   97.619
LGA    R   100_A      R   100_A     0.332     0    0.109   1.064     2.856  100.000   86.926
LGA    G   101_A      G   101_A     0.244     0    0.034   0.034     0.371  100.000  100.000
LGA    F   102_A      F   102_A     0.431     0    0.046   0.233     0.919  100.000   95.671
LGA    T   103_A      T   103_A     0.279     0    0.073   0.073     0.404  100.000  100.000
LGA    V   104_A      V   104_A     0.270     0    0.065   0.097     0.729  100.000   97.279
LGA    D   105_A      D   105_A     0.196     0    0.042   0.817     3.315  100.000   85.952
LGA    E   106_A      E   106_A     0.183     0    0.030   0.680     1.785  100.000   94.921
LGA    T   107_A      T   107_A     0.456     0    0.040   0.078     0.559   97.619   97.279
LGA    T   108_A      T   108_A     0.432     0    0.035   0.943     2.472  100.000   89.728
LGA    D   109_A      D   109_A     0.164     0    0.056   0.527     2.297  100.000   94.405
LGA    G   110_A      G   110_A     0.244     0    0.030   0.030     0.348  100.000  100.000
LGA    K   111_A      K   111_A     0.344     0    0.027   1.607     7.302  100.000   75.979
LGA    G   112_A      G   112_A     0.475     0    0.110   0.110     0.475  100.000  100.000
LGA    S   113_A      S   113_A     0.298     0    0.037   0.050     0.403  100.000  100.000
LGA    V   114_A      V   114_A     0.397     0    0.024   1.140     2.615  100.000   87.483
LGA    E   115_A      E   115_A     0.405     0    0.047   0.263     1.561  100.000   90.741
LGA    Q   116_A      Q   116_A     0.445     0    0.025   0.904     2.762  100.000   88.042
LGA    I   117_A      I   117_A     0.331     0    0.031   0.115     0.443  100.000  100.000
LGA    R   118_A      R   118_A     0.276     0    0.045   0.149     0.443  100.000  100.000
LGA    R   119_A      R   119_A     0.518     0    0.039   0.712     3.200   95.238   81.515
LGA    D   120_A      D   120_A     0.285     0    0.066   0.133     0.649  100.000   97.619
LGA    R   121_A      R   121_A     0.256     0    0.021   0.496     1.811  100.000   92.511
LGA    P   122_A      P   122_A     0.209     0    0.047   0.071     0.316  100.000  100.000
LGA    D   123_A      D   123_A     0.181     0    0.064   0.161     0.665  100.000   98.810
LGA    L   124_A      L   124_A     0.169     0    0.033   0.460     1.317  100.000   96.488
LGA    V   125_A      V   125_A     0.155     0    0.035   0.062     0.183  100.000  100.000
LGA    V   126_A      V   126_A     0.176     0    0.056   0.064     0.237  100.000  100.000
LGA    L   127_A      L   127_A     0.097     0    0.033   0.116     0.547  100.000   98.810
LGA    A   128_A      A   128_A     0.281     0    0.020   0.034     0.352  100.000  100.000
LGA    V   129_A      V   129_A     0.388     0    0.029   0.887     2.346  100.000   89.728
LGA    D   130_A      D   130_A     0.109     0    0.149   1.269     4.455   97.619   82.143
LGA    L   131_A      L   131_A     0.400     0    0.044   0.275     0.776   97.619   94.048
LGA    S   132_A      S   132_A     0.307     0    0.027   0.045     1.095   92.976   93.730
LGA    A   133_A      A   133_A     1.581     0    0.064   0.064     2.581   71.310   71.619
LGA    G   134_A      G   134_A     2.351     0    0.034   0.034     2.508   64.881   64.881
LGA    Q   135_A      Q   135_A     1.423     0    0.054   0.888     3.736   81.548   73.492
LGA    N   136_A      N   136_A     1.117     0    0.029   1.086     3.737   83.810   71.012
LGA    G   137_A      G   137_A     0.911     0    0.033   0.033     1.056   88.214   88.214
LGA    Y   138_A      Y   138_A     0.636     0    0.043   0.138     0.803   90.476   90.476
LGA    L   139_A      L   139_A     0.793     0    0.061   0.164     1.760   90.476   83.810
LGA    I   140_A      I   140_A     0.636     0    0.033   0.631     2.565   90.476   86.310
LGA    C   141_A      C   141_A     0.585     0    0.050   0.111     0.748   90.476   90.476
LGA    G   142_A      G   142_A     0.576     0    0.053   0.053     0.655   90.476   90.476
LGA    K   143_A      K   143_A     0.648     0    0.030   0.302     1.302   90.476   88.466
LGA    L   144_A      L   144_A     0.445     0    0.029   0.957     3.253   97.619   87.917
LGA    K   145_A      K   145_A     0.303     0    0.084   0.163     0.818   95.238   95.767
LGA    K   146_A      K   146_A     0.595     0    0.107   1.161     5.040   92.857   77.672
LGA    D   147_A      D   147_A     0.585     0    0.014   0.086     0.664   95.238   92.857
LGA    D   148_A      D   148_A     0.585     0    0.054   0.689     2.191   90.476   83.929
LGA    D   149_A      D   149_A     0.766     0    0.021   0.516     2.307   90.476   85.000
LGA    L   150_A      L   150_A     0.198     0    0.094   1.159     2.598  100.000   89.048
LGA    K   151_A      K   151_A     0.306     0    0.067   0.737     3.973  100.000   84.286
LGA    N   152_A      N   152_A     0.315     0    0.137   0.176     1.221   97.619   91.786
LGA    V   153_A      V   153_A     0.312     0    0.041   0.069     0.759  100.000   95.918
LGA    P   154_A      P   154_A     0.148     0    0.036   0.099     0.435  100.000  100.000
LGA    I   155_A      I   155_A     0.231     0    0.013   0.367     1.248  100.000   97.679
LGA    V   156_A      V   156_A     0.066     0    0.024   0.075     0.207  100.000  100.000
LGA    I   157_A      I   157_A     0.176     0    0.019   0.526     1.306  100.000   95.298
LGA    I   158_A      I   158_A     0.250     0    0.048   0.987     2.751  100.000   89.940
LGA    G   159_A      G   159_A     0.381     0    0.031   0.031     0.381  100.000  100.000
LGA    N   160_A      N   160_A     0.413     0    0.068   0.745     2.801   95.238   82.321
LGA    P   161_A      P   161_A     0.523     0    0.082   0.127     0.563   97.619   97.279
LGA    D   162_A      D   162_A     0.440     0    0.044   0.477     1.989   97.619   88.512
LGA    G   163_A      G   163_A     0.908     0    0.141   0.141     0.908   90.476   90.476
LGA    F   164_A      F   164_A     0.210     0    0.062   0.226     0.450  100.000  100.000
LGA    A   165_A      A   165_A     0.879     0    0.025   0.035     1.207   90.476   88.667
LGA    Q   166_A      Q   166_A     0.852     0    0.041   1.162     2.302   92.857   83.915
LGA    H   167_A      H   167_A     0.384     0    0.030   0.123     0.693  100.000   94.286
LGA    R   168_A      R   168_A     0.288     0    0.024   1.039     4.440  100.000   83.506
LGA    K   169_A      K   169_A     0.664     0    0.120   0.885     4.816   97.619   73.439
LGA    L   170_A      L   170_A     0.318     0    0.026   1.047     2.550  100.000   89.048
LGA    K   171_A      K   171_A     0.720     0    0.054   0.664     2.394   90.476   81.693
LGA    A   172_A      A   172_A     0.919     0    0.499   0.455     2.277   84.048   81.810
LGA    H   173_A      H   173_A     0.786     0    0.080   0.228     0.890   90.476   93.333
LGA    A   174_A      A   174_A     0.416     0    0.032   0.040     0.596   92.857   94.286
LGA    D   175_A      D   175_A     0.552     0    0.065   0.274     1.057   90.476   88.214
LGA    E   176_A      E   176_A     0.506     0    0.018   0.784     3.881   90.476   72.646
LGA    Y   177_A      Y   177_A     0.342     0    0.022   0.075     0.767  100.000   93.651
LGA    V   178_A      V   178_A     0.317     0    0.040   1.059     2.728  100.000   90.000
LGA    A   179_A      A   179_A     0.300     0    0.037   0.045     0.395  100.000  100.000
LGA    K   180_A      K   180_A     0.241     0    0.074   0.618     1.554  100.000   93.810
LGA    P   181_A      P   181_A     0.375     0    0.082   0.121     0.611   97.619   98.639
LGA    V   182_A      V   182_A     0.509     0    0.029   1.164     2.833   97.619   86.122
LGA    D   183_A      D   183_A     0.781     0    0.071   0.580     3.030   90.476   77.857
LGA    A   184_A      A   184_A     0.381     0    0.050   0.064     0.526   97.619   98.095
LGA    D   185_A      D   185_A     0.748     0    0.049   0.591     1.944   90.476   83.810
LGA    Q   186_A      Q   186_A     0.618     0    0.034   1.221     6.284   95.238   71.164
LGA    L   187_A      L   187_A     0.248     0    0.038   0.067     0.282  100.000  100.000
LGA    V   188_A      V   188_A     0.284     0    0.026   0.190     0.588  100.000   97.279
LGA    E   189_A      E   189_A     0.377     0    0.038   0.779     2.774  100.000   79.894
LGA    R   190_A      R   190_A     0.279     0    0.034   0.413     1.108  100.000   93.983
LGA    A   191_A      A   191_A     0.255     0    0.033   0.043     0.374  100.000  100.000
LGA    G   192_A      G   192_A     0.315     0    0.090   0.090     0.682   97.619   97.619
LGA    A   193_A      A   193_A     0.313     0    0.028   0.040     0.372  100.000  100.000
LGA    L   194_A      L   194_A     0.252     0    0.026   0.870     2.109  100.000   92.202
LGA    I   195_A      I   195_A     0.384     0    0.629   0.592     2.849   86.905   88.750
LGA    G   196_A      G   196_A     1.417     0    0.089   0.089     1.675   83.810   83.810
LGA    F   197_A      F   197_A     0.459     0    0.063   0.215     0.907   95.238   94.805
LGA    P   198_A      P   198_A     0.507     0    0.678   0.612     2.643   82.143   85.714
LGA    E   199_A      E   199_A     1.971     0    0.598   1.293     9.584   65.119   35.556
LGA    G   200_A      G   200_A     5.383     0    0.605   0.605     7.925   25.119   25.119
LGA    N   201_A      N   201_A    10.187     0    0.647   1.290    14.683    1.190    0.595
LGA    S   202_A      S   202_A    11.096     0    0.631   0.812    12.882    0.000    0.238
LGA    M   203_A      M   203_A    16.133     0    0.638   0.568    19.651    0.000    0.000
LGA    M   204_A      M   204_A    22.896     0    0.608   1.202    27.718    0.000    0.000
LGA    I   205_A      I   205_A    25.750     0    0.610   0.786    27.927    0.000    0.000
LGA    A   206_A      A   206_A    26.591     0    0.600   0.594    28.094    0.000    0.000
LGA    L   207_A      L   207_A    31.417     0    0.610   0.573    37.798    0.000    0.000
LGA    G   208_A      G   208_A    32.847     0    0.582   0.582    32.847    0.000    0.000
LGA    V   209_A      V   209_A    27.892     0    0.635   1.485    29.596    0.000    0.000
LGA    A   210_A      A   210_A    25.623     0    0.597   0.592    25.908    0.000    0.000
LGA    C   211_A      C   211_A    25.713     0    0.612   0.799    27.393    0.000    0.000
LGA    A   212_A      A   212_A    24.819     0    0.614   0.602    25.725    0.000    0.000
LGA    I   213_A      I   213_A    20.126     0    0.600   0.698    22.137    0.000    0.000
LGA    A   214_A      A   214_A    22.635     0    0.623   0.611    22.974    0.000    0.000
LGA    L   215_A      L   215_A    24.503     0    0.638   0.791    27.226    0.000    0.000
LGA    A   216_A      A   216_A    23.406     0    0.615   0.593    23.561    0.000    0.000
LGA    I   217_A      I   217_A    22.920     0    0.605   0.984    24.870    0.000    0.000
LGA    A   218_A      A   218_A    23.313     0    0.597   0.594    27.431    0.000    0.000
LGA    A   219_A      A   219_A    29.850     0    0.665   0.631    31.525    0.000    0.000
LGA    V   220_A      V   220_A    31.151     0    0.687   0.732    33.862    0.000    0.000
LGA    Y   221_A      Y   221_A    32.239     0    0.686   0.970    38.487    0.000    0.000
LGA    F   222_A      F   222_A    33.586     0    0.435   1.273    37.885    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      222     888    888  100.00    1696   1696  100.00               222
SUMMARY(RMSD_GDC):    36.285         36.211                 36.901           53.988   51.064

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  222  222    4.0    126    0.81    56.644    51.545    13.784

LGA_LOCAL      RMSD:   0.814  Number of atoms:  126  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  52.223  Number of assigned atoms:  222 
Std_ASGN_ATOMS RMSD:  36.285  Standard rmsd on all 222 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.848722 * X  +  -0.002601 * Y  +  -0.528833 * Z  +  16.244944
  Y_new =   0.074427 * X  +   0.990623 * Y  +   0.114575 * Z  +  18.341640
  Z_new =   0.523576 * X  +  -0.136602 * Y  +   0.840956 * Z  +  38.756310 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.087469 -0.551043 -0.161030   [DEG:    5.0116  -31.5725   -9.2263 ]
ZXZ: -1.784155  0.571748  1.826009   [DEG: -102.2246   32.7587  104.6226 ]
 
# END of job
