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

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

# Molecule1: number of CA atoms  126 (  983),  selected  126 , name one
# Molecule2: number of CA atoms  126 (  983),  selected  126 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       1_B - 126_B       2.77     2.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.69     2.81
  LCS_AVERAGE:     69.18

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.75     2.92
  LCS_AVERAGE:     66.06

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    101  103  126     47  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     V     2_B     V     2_B    101  103  126     74  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     Q     3_B     Q     3_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     L     4_B     L     4_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     Q     5_B     Q     5_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     E     6_B     E     6_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     S     7_B     S     7_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     G     8_B     G     8_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     G     9_B     G     9_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     G    10_B     G    10_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     L    11_B     L    11_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     V    12_B     V    12_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     Q    13_B     Q    13_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     P    14_B     P    14_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     G    15_B     G    15_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     G    16_B     G    16_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     S    17_B     S    17_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     L    18_B     L    18_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     R    19_B     R    19_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     L    20_B     L    20_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     S    21_B     S    21_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     C    22_B     C    22_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     A    23_B     A    23_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     A    24_B     A    24_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     S    25_B     S    25_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     G    26_B     G    26_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     F    27_B     F    27_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     R    28_B     R    28_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     F    29_B     F    29_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     S    30_B     S    30_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     S    31_B     S    31_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     Y    32_B     Y    32_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     W    33_B     W    33_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     M    34_B     M    34_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     Y    35_B     Y    35_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     W    36_B     W    36_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     V    37_B     V    37_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     R    38_B     R    38_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     Q    39_B     Q    39_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     A    40_B     A    40_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     P    41_B     P    41_B    101  103  126     95  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     G    42_B     G    42_B    101  103  126     95  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     K    43_B     K    43_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     G    44_B     G    44_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     L    45_B     L    45_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     E    46_B     E    46_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     W    47_B     W    47_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     V    48_B     V    48_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     S    49_B     S    49_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     A    50_B     A    50_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     I    51_B     I    51_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     N    52_B     N    52_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     S    53_B     S    53_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     S    54_B     S    54_B    101  103  126     93  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     G    55_B     G    55_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     G    56_B     G    56_B    101  103  126      8   93  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     Y    57_B     Y    57_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     T    58_B     T    58_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     R    59_B     R    59_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     Y    60_B     Y    60_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     A    61_B     A    61_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     D    62_B     D    62_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     S    63_B     S    63_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     V    64_B     V    64_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     K    65_B     K    65_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     G    66_B     G    66_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     R    67_B     R    67_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     F    68_B     F    68_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     T    69_B     T    69_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     I    70_B     I    70_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     S    71_B     S    71_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     R    72_B     R    72_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     D    73_B     D    73_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     N    74_B     N    74_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     A    75_B     A    75_B    101  103  126     90  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     K    76_B     K    76_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     N    77_B     N    77_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     T    78_B     T    78_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     L    79_B     L    79_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     Y    80_B     Y    80_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     L    81_B     L    81_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     Q    82_B     Q    82_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     M    83_B     M    83_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     N    84_B     N    84_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     S    85_B     S    85_B    101  103  126     94  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     L    86_B     L    86_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     R    87_B     R    87_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     A    88_B     A    88_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     E    89_B     E    89_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     D    90_B     D    90_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     T    91_B     T    91_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     A    92_B     A    92_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     V    93_B     V    93_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     Y    94_B     Y    94_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     Y    95_B     Y    95_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     C    96_B     C    96_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     A    97_B     A    97_B    101  103  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     T    98_B     T    98_B    101  103  126     95  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     D    99_B     D    99_B    101  103  126      3   72  109  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     S   100_B     S   100_B    101  103  126      5   12   24   71  106  113  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     G   101_B     G   101_B    101  103  126      6   23   57  100  112  114  116  117  117  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     D   102_B     D   102_B      4  103  126      3    5    8   28   51   86  108  113  116  118  118  119  120  123  123  123  124  126  126  126 
LCS_GDT     G   103_B     G   103_B      5  103  126      4    5    9   11   16   20   28   31   37   49  105  117  120  123  123  123  124  126  126  126 
LCS_GDT     K   104_B     K   104_B      5   10  126      4    5    9   11   16   20   28   31   37   63  105  117  120  123  123  123  124  126  126  126 
LCS_GDT     R   105_B     R   105_B      5   10  126      4    5    9   11   16   20   28   31   52   97  110  117  120  123  123  123  124  126  126  126 
LCS_GDT     Y   106_B     Y   106_B      5   10  126      3    5    7   11   16   33   49   77  102  111  116  118  120  123  123  123  124  126  126  126 
LCS_GDT     W   107_B     W   107_B      5   10  126      3    5   11   20   34   48   73   94  110  116  118  119  120  123  123  123  124  126  126  126 
LCS_GDT     S   108_B     S   108_B      4   10  126      3    4    7    8    9   10   78  109  116  118  118  119  120  123  123  123  124  126  126  126 
LCS_GDT     G   109_B     G   109_B      4   18  126      3   81  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     E   110_B     E   110_B     12   18  126      3    7   17   42   79  100  115  117  118  119  119  119  120  121  121  122  124  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     12   18  126      3    4   10   29   59   91  115  117  118  119  119  119  120  121  121  122  124  126  126  126 
LCS_GDT     F   112_B     F   112_B     15   18  126      3   16   66  113  115  115  116  117  118  119  119  119  120  121  121  123  124  126  126  126 
LCS_GDT     Y   113_B     Y   113_B     15   18  126     16  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     R   114_B     R   114_B     15   18  126     31  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     S   115_B     S   115_B     15   18  126     90  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     R   116_B     R   116_B     15   18  126     93  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     G   117_B     G   117_B     15   18  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     Q   118_B     Q   118_B     15   18  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     G   119_B     G   119_B     15   18  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     T   120_B     T   120_B     15   18  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     L   121_B     L   121_B     15   18  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     V   122_B     V   122_B     15   18  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     T   123_B     T   123_B     15   18  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     V   124_B     V   124_B     15   18  126     96  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     S   125_B     S   125_B     15   18  126     68  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_GDT     S   126_B     S   126_B     15   18  126     13  109  113  114  115  115  116  117  118  119  119  119  120  123  123  123  124  126  126  126 
LCS_AVERAGE  LCS_A:  78.41  (  66.06   69.18  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     96    109    113    114    115    115    116    117    118    119    119    119    120    123    123    123    124    126    126    126 
GDT PERCENT_AT  76.19  86.51  89.68  90.48  91.27  91.27  92.06  92.86  93.65  94.44  94.44  94.44  95.24  97.62  97.62  97.62  98.41 100.00 100.00 100.00
GDT RMS_LOCAL    0.26   0.35   0.44   0.48   0.56   0.56   0.76   0.81   1.01   1.10   1.10   1.10   1.79   2.59   2.59   2.59   2.63   2.77   2.77   2.77
GDT RMS_ALL_AT   2.97   2.98   3.00   2.98   3.00   3.00   2.94   2.96   3.05   3.02   3.02   3.02   2.80   2.79   2.79   2.79   2.78   2.77   2.77   2.77

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  F    29_B      F    29_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    94_B      Y    94_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  D   102_B      D   102_B
#   possible swapping detected:  Y   113_B      Y   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     1.491     0    0.122   0.826     3.439   77.262   72.381
LGA    V     2_B      V     2_B     0.950     0    0.091   0.251     1.235   88.214   87.891
LGA    Q     3_B      Q     3_B     0.704     0    0.100   0.535     1.535   95.238   89.630
LGA    L     4_B      L     4_B     0.255     0    0.093   0.420     0.967   97.619   95.238
LGA    Q     5_B      Q     5_B     0.232     0    0.032   0.979     3.391  100.000   81.958
LGA    E     6_B      E     6_B     0.128     0    0.075   0.152     0.306  100.000  100.000
LGA    S     7_B      S     7_B     0.200     0    0.051   0.142     0.359  100.000  100.000
LGA    G     8_B      G     8_B     0.245     0    0.050   0.050     0.520   97.619   97.619
LGA    G     9_B      G     9_B     0.198     0    0.062   0.062     0.741   97.619   97.619
LGA    G    10_B      G    10_B     0.162     0    0.030   0.030     0.235  100.000  100.000
LGA    L    11_B      L    11_B     0.302     0    0.057   0.323     0.870  100.000   96.429
LGA    V    12_B      V    12_B     0.214     0    0.034   1.170     2.499  100.000   89.932
LGA    Q    13_B      Q    13_B     0.172     0    0.011   1.207     3.346  100.000   88.307
LGA    P    14_B      P    14_B     0.208     0    0.025   0.095     0.427  100.000  100.000
LGA    G    15_B      G    15_B     0.380     0    0.178   0.178     0.622   97.619   97.619
LGA    G    16_B      G    16_B     0.267     0    0.066   0.066     0.464  100.000  100.000
LGA    S    17_B      S    17_B     0.438     0    0.040   0.109     0.849   97.619   95.238
LGA    L    18_B      L    18_B     0.260     0    0.015   0.202     0.729  100.000   98.810
LGA    R    19_B      R    19_B     0.169     0    0.041   0.366     1.335  100.000   98.312
LGA    L    20_B      L    20_B     0.132     0    0.029   1.214     2.526  100.000   89.048
LGA    S    21_B      S    21_B     0.320     0    0.055   0.143     0.484  100.000  100.000
LGA    C    22_B      C    22_B     0.384     0    0.044   0.063     0.508   97.619   98.413
LGA    A    23_B      A    23_B     0.222     0    0.033   0.055     0.359  100.000  100.000
LGA    A    24_B      A    24_B     0.363     0    0.100   0.132     0.709   97.619   96.190
LGA    S    25_B      S    25_B     0.545     0    0.042   0.144     0.839   95.238   93.651
LGA    G    26_B      G    26_B     0.209     0    0.059   0.059     0.308  100.000  100.000
LGA    F    27_B      F    27_B     0.359     0    0.044   0.224     0.617  100.000   99.134
LGA    R    28_B      R    28_B     0.361     0    0.014   0.888     3.484  100.000   87.100
LGA    F    29_B      F    29_B     0.348     0    0.028   0.101     0.542  100.000   98.268
LGA    S    30_B      S    30_B     0.389     0    0.063   0.140     0.734   97.619   95.238
LGA    S    31_B      S    31_B     0.525     0    0.119   0.634     1.371   97.619   93.730
LGA    Y    32_B      Y    32_B     0.390     0    0.047   0.250     1.183  100.000   93.690
LGA    W    33_B      W    33_B     0.160     0    0.030   0.106     0.558  100.000   98.639
LGA    M    34_B      M    34_B     0.153     0    0.018   0.847     2.937  100.000   94.643
LGA    Y    35_B      Y    35_B     0.165     0    0.040   0.235     1.136  100.000   93.730
LGA    W    36_B      W    36_B     0.195     0    0.027   0.117     0.431  100.000  100.000
LGA    V    37_B      V    37_B     0.209     0    0.073   0.123     0.421  100.000  100.000
LGA    R    38_B      R    38_B     0.278     0    0.021   0.103     0.552  100.000   99.134
LGA    Q    39_B      Q    39_B     0.208     0    0.060   0.107     0.862  100.000   96.825
LGA    A    40_B      A    40_B     0.179     0    0.029   0.038     0.299  100.000  100.000
LGA    P    41_B      P    41_B     0.568     0    0.050   0.077     0.809   97.619   94.558
LGA    G    42_B      G    42_B     0.590     0    0.059   0.059     0.689   92.857   92.857
LGA    K    43_B      K    43_B     0.376     0    0.077   0.205     1.474  100.000   93.757
LGA    G    44_B      G    44_B     0.411     0    0.049   0.049     0.455  100.000  100.000
LGA    L    45_B      L    45_B     0.366     0    0.025   1.168     3.270  100.000   88.036
LGA    E    46_B      E    46_B     0.159     0    0.071   0.690     1.975   97.619   86.878
LGA    W    47_B      W    47_B     0.196     0    0.035   0.058     0.235  100.000  100.000
LGA    V    48_B      V    48_B     0.220     0    0.017   0.028     0.251  100.000  100.000
LGA    S    49_B      S    49_B     0.338     0    0.022   0.299     1.135  100.000   96.905
LGA    A    50_B      A    50_B     0.114     0    0.041   0.054     0.155  100.000  100.000
LGA    I    51_B      I    51_B     0.235     0    0.046   0.103     0.492  100.000  100.000
LGA    N    52_B      N    52_B     0.224     0    0.039   0.131     0.716  100.000   98.810
LGA    S    53_B      S    53_B     0.356     0    0.046   0.362     1.108   97.619   95.317
LGA    S    54_B      S    54_B     0.593     0    0.130   0.137     1.326   90.595   90.556
LGA    G    55_B      G    55_B     0.283     0    0.760   0.760     2.744   89.286   89.286
LGA    G    56_B      G    56_B     1.619     0    0.069   0.069     1.737   81.667   81.667
LGA    Y    57_B      Y    57_B     0.257     0    0.107   0.320     0.935   97.619   95.238
LGA    T    58_B      T    58_B     0.233     0    0.028   0.119     0.291  100.000  100.000
LGA    R    59_B      R    59_B     0.137     0    0.019   1.239     4.902  100.000   79.567
LGA    Y    60_B      Y    60_B     0.195     0    0.044   0.230     0.656  100.000   96.825
LGA    A    61_B      A    61_B     0.185     0    0.040   0.068     0.277  100.000  100.000
LGA    D    62_B      D    62_B     0.342     0    0.072   0.400     1.754   95.238   91.845
LGA    S    63_B      S    63_B     0.531     0    0.084   0.116     1.001   90.595   90.556
LGA    V    64_B      V    64_B     0.198     0    0.028   0.108     0.407  100.000  100.000
LGA    K    65_B      K    65_B     0.186     0    0.032   0.718     2.847  100.000   90.106
LGA    G    66_B      G    66_B     0.263     0    0.041   0.041     0.344  100.000  100.000
LGA    R    67_B      R    67_B     0.235     0    0.057   0.105     0.769  100.000   96.537
LGA    F    68_B      F    68_B     0.224     0    0.071   0.155     0.691   97.619   99.134
LGA    T    69_B      T    69_B     0.174     0    0.062   0.090     0.385  100.000  100.000
LGA    I    70_B      I    70_B     0.154     0    0.041   0.067     0.287  100.000  100.000
LGA    S    71_B      S    71_B     0.460     0    0.024   0.086     0.582  100.000   96.825
LGA    R    72_B      R    72_B     0.127     0    0.052   0.233     0.799  100.000   96.537
LGA    D    73_B      D    73_B     0.404     0    0.017   0.223     1.428   97.619   94.107
LGA    N    74_B      N    74_B     0.218     0    0.034   0.883     2.217  100.000   93.274
LGA    A    75_B      A    75_B     0.583     0    0.023   0.025     0.723   95.238   94.286
LGA    K    76_B      K    76_B     0.381     0    0.015   0.311     1.211  100.000   96.878
LGA    N    77_B      N    77_B     0.328     0    0.022   0.298     1.118   97.619   95.298
LGA    T    78_B      T    78_B     0.333     0    0.057   0.147     0.754  100.000   98.639
LGA    L    79_B      L    79_B     0.097     0    0.029   0.087     0.231  100.000  100.000
LGA    Y    80_B      Y    80_B     0.131     0    0.092   0.209     1.022   97.619   95.278
LGA    L    81_B      L    81_B     0.110     0    0.026   0.255     0.625  100.000   97.619
LGA    Q    82_B      Q    82_B     0.093     0    0.031   0.121     0.370  100.000  100.000
LGA    M    83_B      M    83_B     0.333     0    0.015   0.668     1.884  100.000   94.226
LGA    N    84_B      N    84_B     0.169     0    0.089   0.294     0.851   97.619   97.619
LGA    S    85_B      S    85_B     0.583     0    0.059   0.125     0.784   92.857   92.063
LGA    L    86_B      L    86_B     0.264     0    0.068   0.089     0.623   97.619   98.810
LGA    R    87_B      R    87_B     0.247     0    0.013   0.158     0.780  100.000   97.403
LGA    A    88_B      A    88_B     0.228     0    0.057   0.056     0.444  100.000  100.000
LGA    E    89_B      E    89_B     0.334     0    0.023   0.346     1.211  100.000   94.815
LGA    D    90_B      D    90_B     0.060     0    0.027   0.078     0.181  100.000  100.000
LGA    T    91_B      T    91_B     0.191     0    0.097   0.086     0.360  100.000  100.000
LGA    A    92_B      A    92_B     0.082     0    0.065   0.094     0.162  100.000  100.000
LGA    V    93_B      V    93_B     0.178     0    0.030   0.244     0.793  100.000   98.639
LGA    Y    94_B      Y    94_B     0.155     0    0.098   0.104     0.571   97.619   98.413
LGA    Y    95_B      Y    95_B     0.164     0    0.081   0.168     0.704  100.000   96.825
LGA    C    96_B      C    96_B     0.275     0    0.048   0.161     0.611  100.000   98.413
LGA    A    97_B      A    97_B     0.268     0    0.044   0.057     0.359  100.000  100.000
LGA    T    98_B      T    98_B     0.555     0    0.067   0.095     1.056   90.595   91.905
LGA    D    99_B      D    99_B     1.998     0    0.512   0.551     3.885   75.000   61.726
LGA    S   100_B      S   100_B     4.298     0    0.116   0.643     8.906   33.690   25.159
LGA    G   101_B      G   101_B     4.629     0    0.646   0.646     8.258   24.881   24.881
LGA    D   102_B      D   102_B     8.583     0    0.068   1.067    12.947    4.048    2.619
LGA    G   103_B      G   103_B    13.978     0    0.709   0.709    14.387    0.000    0.000
LGA    K   104_B      K   104_B    14.627     0    0.167   0.839    16.724    0.000    0.000
LGA    R   105_B      R   105_B    13.578     0    0.355   0.808    15.035    0.000    0.000
LGA    Y   106_B      Y   106_B    11.599     0    0.141   0.258    19.040    1.190    0.397
LGA    W   107_B      W   107_B     9.989     0    0.531   1.154    13.070    0.476    0.170
LGA    S   108_B      S   108_B     7.356     0    0.558   0.475     8.813   15.119   11.349
LGA    G   109_B      G   109_B     1.582     0    0.206   0.206     4.029   56.190   56.190
LGA    E   110_B      E   110_B     6.114     0    0.184   1.034    11.015   19.643    9.418
LGA    Y   111_B      Y   111_B     5.797     0    0.170   0.189    17.068   33.571   11.786
LGA    F   112_B      F   112_B     3.238     0    0.426   0.348     6.107   52.262   38.095
LGA    Y   113_B      Y   113_B     1.368     0    0.212   1.411     7.233   75.119   58.571
LGA    R   114_B      R   114_B     1.081     0    0.061   0.927     5.304   81.548   61.991
LGA    S   115_B      S   115_B     0.646     0    0.028   0.116     1.040   95.238   92.143
LGA    R   116_B      R   116_B     0.589     0    0.090   1.067     4.107   95.238   83.506
LGA    G   117_B      G   117_B     0.203     0    0.040   0.040     0.288  100.000  100.000
LGA    Q   118_B      Q   118_B     0.214     0    0.072   1.360     6.204   97.619   67.831
LGA    G   119_B      G   119_B     0.163     0    0.024   0.024     0.260  100.000  100.000
LGA    T   120_B      T   120_B     0.182     0    0.033   0.064     0.480  100.000  100.000
LGA    L   121_B      L   121_B     0.118     0    0.020   0.257     0.695  100.000   98.810
LGA    V   122_B      V   122_B     0.164     0    0.009   0.110     0.364  100.000  100.000
LGA    T   123_B      T   123_B     0.105     0    0.099   0.463     1.168  100.000   95.986
LGA    V   124_B      V   124_B     0.130     0    0.058   0.068     0.559  100.000   98.639
LGA    S   125_B      S   125_B     0.647     0    0.063   0.073     1.122   92.857   89.048
LGA    S   126_B      S   126_B     1.125     0    0.300   0.921     4.391   66.548   64.683

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     983    983  100.00               126
SUMMARY(RMSD_GDC):     2.773          2.768                  3.539           89.266   85.982

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    117    0.81    91.865    86.565    12.812

LGA_LOCAL      RMSD:   0.813  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.960  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.773  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.279751 * X  +   0.751868 * Y  +   0.597021 * Z  + -31.514526
  Y_new =   0.847152 * X  +  -0.485915 * Y  +   0.214988 * Z  + -14.031412
  Z_new =   0.451744 * X  +   0.445624 * Y  +  -0.772882 * Z  + -67.081909 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.251846 -0.468719  2.618575   [DEG:   71.7255  -26.8556  150.0333 ]
ZXZ:  1.916442  2.454166  0.792217   [DEG:  109.8040  140.6134   45.3907 ]
 
# END of job
