
#######################################################
#                                                     #
#                        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  116 (  967),  selected  114 , name one
# Molecule2: number of CA atoms  114 (  953),  selected  114 , 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:   114       3_A - 116_A       1.49     1.49
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114       3_A - 116_A       1.49     1.49
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70       3_A - 72_A        0.96     1.64
  LCS_AVERAGE:     54.03

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  114
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     3_A     G     3_A     70  114  114     12   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E     4_A     E     4_A     70  114  114     18   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E     5_A     E     5_A     70  114  114     18   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E     6_A     E     6_A     70  114  114     18   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R     7_A     R     7_A     70  114  114     18   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F     8_A     F     8_A     70  114  114     18   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R     9_A     R     9_A     70  114  114     18   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    10_A     A    10_A     70  114  114     18   69   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    11_A     Y    11_A     70  114  114     18   62   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    12_A     Y    12_A     70  114  114     18   68   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    13_A     E    13_A     70  114  114     18   68   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    14_A     R    14_A     70  114  114     18   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    15_A     Y    15_A     70  114  114     18   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F    16_A     F    16_A     70  114  114     18   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    17_A     A    17_A     70  114  114     18   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    18_A     A    18_A     70  114  114     18   68   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    19_A     L    19_A     70  114  114     18   68   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    20_A     A    20_A     70  114  114     18   68   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    21_A     A    21_A     70  114  114     20   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    22_A     R    22_A     70  114  114     18   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    23_A     D    23_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    24_A     Y    24_A     70  114  114     16   63   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    25_A     E    25_A     70  114  114     13   60   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    26_A     T    26_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    27_A     L    27_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    28_A     L    28_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    29_A     E    29_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     I    30_A     I    30_A     70  114  114     25   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    31_A     L    31_A     70  114  114     17   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    32_A     R    32_A     70  114  114     30   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    33_A     E    33_A     70  114  114     18   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F    34_A     F    34_A     70  114  114     17   68   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    35_A     G    35_A     70  114  114     17   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    36_A     V    36_A     70  114  114     18   68   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    37_A     A    37_A     70  114  114      6   39   83  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     K    38_A     K    38_A     70  114  114     11   42   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    39_A     L    39_A     70  114  114     22   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    40_A     V    40_A     70  114  114     10   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    41_A     L    41_A     70  114  114     10   70   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     N    42_A     N    42_A     70  114  114     10   67   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    43_A     G    43_A     70  114  114     10   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    44_A     R    44_A     70  114  114     10   70   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    45_A     E    45_A     70  114  114      5   62   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F    46_A     F    46_A     70  114  114     19   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    47_A     A    47_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S    48_A     S    48_A     70  114  114     31   70   95  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     P    49_A     P    49_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    50_A     E    50_A     70  114  114     26   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    51_A     E    51_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    52_A     A    52_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    53_A     V    53_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Q    54_A     Q    54_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     W    55_A     W    55_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     A    56_A     A    56_A     70  114  114     30   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    57_A     R    57_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    58_A     D    58_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    59_A     T    59_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    60_A     G    60_A     70  114  114     28   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    61_A     L    61_A     70  114  114     20   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    62_A     R    62_A     70  114  114     15   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     F    63_A     F    63_A     70  114  114     13   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    64_A     L    64_A     70  114  114     22   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    65_A     R    65_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    66_A     L    66_A     70  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     I    67_A     I    67_A     70  114  114     22   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    68_A     R    68_A     70  114  114     22   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    69_A     E    69_A     70  114  114     22   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    70_A     R    70_A     70  114  114     22   70   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    71_A     Y    71_A     70  114  114     20   64   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    72_A     E    72_A     70  114  114      5   36   74  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    73_A     D    73_A     52  114  114      4   21   45   58  109  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    74_A     G    74_A     52  114  114      4   27   64  103  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    75_A     V    75_A     52  114  114     22   45   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    76_A     Y    76_A     52  114  114     22   61   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    77_A     T    77_A     52  114  114     22   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    78_A     V    78_A     52  114  114     24   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E    79_A     E    79_A     52  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    80_A     D    80_A     52  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     I    81_A     I    81_A     52  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V    82_A     V    82_A     52  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S    83_A     S    83_A     52  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    84_A     R    84_A     52  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    85_A     D    85_A     52  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D    86_A     D    86_A     52  114  114     20   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G    87_A     G    87_A     52  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    88_A     R    88_A     52  114  114     11   65   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    89_A     Y    89_A     52  114  114     19   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y    90_A     Y    90_A     52  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    91_A     R    91_A     52  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     H    92_A     H    92_A     52  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    93_A     T    93_A     52  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S    94_A     S    94_A     52  114  114     27   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     T    95_A     T    95_A     52  114  114     22   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L    96_A     L    96_A     52  114  114     22   59   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    97_A     R    97_A     52  114  114      9   37   86  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     R    98_A     R    98_A     52  114  114     14   37   83  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Q    99_A     Q    99_A     52  114  114     22   37   73  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     P   100_A     P   100_A     52  114  114      9   36   60   96  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     D   101_A     D   101_A     52  114  114      9   36   57   96  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G   102_A     G   102_A     52  114  114      9   37   60   99  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S   103_A     S   103_A     52  114  114      9   37   57   99  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y   104_A     Y   104_A     52  114  114      9   37   83  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     V   105_A     V   105_A     52  114  114     22   37   83  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Q   106_A     Q   106_A     52  114  114     22   37   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Y   107_A     Y   107_A     52  114  114     22   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S   108_A     S   108_A     52  114  114     24   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     Q   109_A     Q   109_A     52  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L   110_A     L   110_A     52  114  114     22   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     E   111_A     E   111_A     52  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L   112_A     L   112_A     52  114  114     31   72   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     L   113_A     L   113_A     26  114  114      9   67   96  104  110  111  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G   114_A     G   114_A      6  114  114      3   10   23   82  103  110  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     S   115_A     S   115_A      6  114  114      3    6   10   35   57  100  112  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_GDT     G   116_A     G   116_A      4  114  114      0    3    9   34   57  100  109  114  114  114  114  114  114  114  114  114  114  114  114  114 
LCS_AVERAGE  LCS_A:  84.68  (  54.03  100.00  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     31     72     96    104    110    111    112    114    114    114    114    114    114    114    114    114    114    114    114    114 
GDT PERCENT_AT  27.19  63.16  84.21  91.23  96.49  97.37  98.25 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.69   0.88   1.05   1.24   1.28   1.32   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49
GDT RMS_ALL_AT   1.90   1.65   1.59   1.53   1.52   1.52   1.51   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49   1.49

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E     6_A      E     6_A
#   possible swapping detected:  Y    11_A      Y    11_A
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  E    29_A      E    29_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  F    46_A      F    46_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    51_A      E    51_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  Y    71_A      Y    71_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  Y    76_A      Y    76_A
#   possible swapping detected:  Y    90_A      Y    90_A
#   possible swapping detected:  Y   104_A      Y   104_A
#   possible swapping detected:  Y   107_A      Y   107_A
#   possible swapping detected:  E   111_A      E   111_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_A      G     3_A     0.982     0    0.387   0.387     1.973   83.810   83.810
LGA    E     4_A      E     4_A     0.599     0    0.098   0.658     2.989   90.476   80.159
LGA    E     5_A      E     5_A     0.872     0    0.048   0.219     1.081   88.214   89.471
LGA    E     6_A      E     6_A     0.938     0    0.019   0.941     3.331   90.476   77.619
LGA    R     7_A      R     7_A     0.869     0    0.012   0.527     2.380   90.476   84.935
LGA    F     8_A      F     8_A     1.025     0    0.016   0.250     1.318   83.690   84.719
LGA    R     9_A      R     9_A     0.998     0    0.070   1.158     3.889   83.690   72.035
LGA    A    10_A      A    10_A     1.200     0    0.024   0.034     1.285   81.429   81.429
LGA    Y    11_A      Y    11_A     1.338     0    0.099   1.328     9.850   81.429   46.706
LGA    Y    12_A      Y    12_A     1.321     0    0.032   1.412     8.188   81.429   52.817
LGA    E    13_A      E    13_A     1.224     0    0.018   0.888     2.208   81.429   75.820
LGA    R    14_A      R    14_A     0.902     0    0.017   0.065     1.028   88.214   89.654
LGA    Y    15_A      Y    15_A     1.022     0    0.048   0.130     2.064   81.429   77.183
LGA    F    16_A      F    16_A     0.630     0    0.060   1.300     7.442   90.476   59.437
LGA    A    17_A      A    17_A     0.881     0    0.064   0.076     1.034   88.214   86.857
LGA    A    18_A      A    18_A     1.065     0    0.070   0.083     1.065   85.952   85.048
LGA    L    19_A      L    19_A     0.984     0    0.025   1.349     3.010   88.214   77.917
LGA    A    20_A      A    20_A     0.951     0    0.051   0.061     1.007   88.214   88.667
LGA    A    21_A      A    21_A     0.453     0    0.060   0.073     0.681   97.619   98.095
LGA    R    22_A      R    22_A     0.901     0    0.037   1.026     2.599   90.476   84.199
LGA    D    23_A      D    23_A     0.799     0    0.021   0.137     0.938   90.476   90.476
LGA    Y    24_A      Y    24_A     1.489     0    0.052   0.095     1.819   77.143   75.000
LGA    E    25_A      E    25_A     1.661     0    0.135   1.304     5.956   77.143   59.365
LGA    T    26_A      T    26_A     0.916     0    0.012   0.056     1.252   88.214   89.184
LGA    L    27_A      L    27_A     1.270     0    0.015   1.380     3.861   81.429   73.452
LGA    L    28_A      L    28_A     1.271     0    0.030   0.123     1.355   81.429   81.429
LGA    E    29_A      E    29_A     0.769     0    0.090   0.426     1.587   90.476   88.519
LGA    I    30_A      I    30_A     0.849     0    0.017   0.043     1.107   85.952   87.083
LGA    L    31_A      L    31_A     1.399     0    0.045   0.083     1.680   79.286   77.143
LGA    R    32_A      R    32_A     1.184     0    0.024   1.106     7.601   81.429   59.394
LGA    E    33_A      E    33_A     0.844     0    0.017   0.515     2.307   85.952   77.037
LGA    F    34_A      F    34_A     1.486     0    0.031   0.312     1.764   77.143   78.312
LGA    G    35_A      G    35_A     1.632     0    0.098   0.098     1.632   79.286   79.286
LGA    V    36_A      V    36_A     0.973     0    0.047   0.108     1.928   81.548   81.497
LGA    A    37_A      A    37_A     1.963     0    0.022   0.040     2.420   72.976   71.333
LGA    K    38_A      K    38_A     1.352     0    0.090   0.709     2.213   83.810   77.778
LGA    L    39_A      L    39_A     0.875     0    0.066   1.420     5.588   90.476   65.595
LGA    V    40_A      V    40_A     1.211     0    0.035   0.034     1.479   83.690   84.014
LGA    L    41_A      L    41_A     1.347     0    0.041   0.670     2.957   79.286   76.250
LGA    N    42_A      N    42_A     1.742     0    0.026   0.106     1.990   72.857   72.857
LGA    G    43_A      G    43_A     1.483     0    0.022   0.022     1.581   77.143   77.143
LGA    R    44_A      R    44_A     1.593     0    0.061   1.312     7.845   77.143   50.476
LGA    E    45_A      E    45_A     1.163     0    0.043   0.627     3.441   85.952   78.042
LGA    F    46_A      F    46_A     1.001     0    0.083   0.274     2.750   81.429   76.190
LGA    A    47_A      A    47_A     1.666     0    0.013   0.033     2.283   72.976   72.952
LGA    S    48_A      S    48_A     1.895     0    0.074   0.089     2.228   72.857   70.159
LGA    P    49_A      P    49_A     1.262     0    0.068   0.078     1.718   81.429   80.204
LGA    E    50_A      E    50_A     1.610     0    0.014   1.249     2.691   75.000   75.079
LGA    E    51_A      E    51_A     1.582     0    0.033   1.299     5.183   77.143   63.598
LGA    A    52_A      A    52_A     1.243     0    0.015   0.019     1.357   81.429   81.429
LGA    V    53_A      V    53_A     1.055     0    0.067   0.069     1.300   83.690   82.721
LGA    Q    54_A      Q    54_A     1.355     0    0.030   0.111     2.172   81.429   75.767
LGA    W    55_A      W    55_A     1.158     0    0.032   0.152     1.709   85.952   79.660
LGA    A    56_A      A    56_A     0.461     0    0.026   0.025     0.717   97.619   98.095
LGA    R    57_A      R    57_A     0.666     0    0.034   1.265     6.433   90.476   69.134
LGA    D    58_A      D    58_A     0.863     0    0.036   0.078     0.932   90.476   90.476
LGA    T    59_A      T    59_A     0.398     0    0.048   0.057     0.795   97.619   95.918
LGA    G    60_A      G    60_A     0.403     0    0.052   0.052     0.479  100.000  100.000
LGA    L    61_A      L    61_A     0.255     0    0.022   0.145     0.898   95.238   92.857
LGA    R    62_A      R    62_A     0.860     0    0.084   0.924     4.947   92.857   63.939
LGA    F    63_A      F    63_A     0.966     0    0.023   0.099     1.207   85.952   88.009
LGA    L    64_A      L    64_A     1.071     0    0.027   0.268     1.349   83.690   82.560
LGA    R    65_A      R    65_A     1.020     0    0.031   0.769     5.975   90.595   68.788
LGA    L    66_A      L    66_A     0.381     0    0.024   0.135     0.828   97.619   95.238
LGA    I    67_A      I    67_A     0.521     0    0.036   0.110     1.098   92.857   90.536
LGA    R    68_A      R    68_A     0.577     0    0.026   1.063     4.954   92.857   75.238
LGA    E    69_A      E    69_A     0.585     0    0.040   0.615     2.434   90.476   79.048
LGA    R    70_A      R    70_A     0.586     0    0.035   0.954     5.684   90.476   67.013
LGA    Y    71_A      Y    71_A     0.949     0    0.029   0.168     1.365   85.952   85.952
LGA    E    72_A      E    72_A     2.338     0    0.134   0.616     3.871   59.524   54.339
LGA    D    73_A      D    73_A     3.469     0    0.361   1.247     8.833   59.286   38.452
LGA    G    74_A      G    74_A     2.657     0    0.023   0.023     2.968   62.976   62.976
LGA    V    75_A      V    75_A     1.347     0    0.027   0.103     1.863   79.286   81.497
LGA    Y    76_A      Y    76_A     0.884     0    0.035   0.141     1.066   88.214   89.762
LGA    T    77_A      T    77_A     0.233     0    0.013   0.024     0.514   97.619   97.279
LGA    V    78_A      V    78_A     0.161     0    0.030   0.048     0.450  100.000  100.000
LGA    E    79_A      E    79_A     0.349     0    0.015   0.788     3.057  100.000   81.852
LGA    D    80_A      D    80_A     0.352     0    0.036   0.542     1.403  100.000   95.357
LGA    I    81_A      I    81_A     0.448     0    0.038   0.597     2.257   95.238   92.024
LGA    V    82_A      V    82_A     0.440     0    0.055   0.073     0.547   97.619   97.279
LGA    S    83_A      S    83_A     0.661     0    0.022   0.148     0.918   92.857   92.063
LGA    R    84_A      R    84_A     0.395     0    0.018   0.548     3.385  100.000   86.364
LGA    D    85_A      D    85_A     0.426     0    0.102   0.148     0.736  100.000   95.238
LGA    D    86_A      D    86_A     0.805     0    0.047   0.076     1.845   90.476   83.810
LGA    G    87_A      G    87_A     0.893     0    0.049   0.049     1.457   85.952   85.952
LGA    R    88_A      R    88_A     1.311     0    0.026   0.962     2.979   83.690   76.190
LGA    Y    89_A      Y    89_A     0.947     0    0.013   0.141     1.876   88.214   80.833
LGA    Y    90_A      Y    90_A     0.483     0    0.029   0.122     1.258   92.857   88.254
LGA    R    91_A      R    91_A     0.796     0    0.016   0.453     2.459   88.214   81.645
LGA    H    92_A      H    92_A     1.038     0    0.016   0.149     1.268   85.952   85.048
LGA    T    93_A      T    93_A     0.768     0    0.036   0.036     0.990   90.476   90.476
LGA    S    94_A      S    94_A     0.584     0    0.048   0.663     2.660   90.476   84.921
LGA    T    95_A      T    95_A     0.472     0    0.051   0.058     0.777   95.238   97.279
LGA    L    96_A      L    96_A     0.948     0    0.030   1.294     3.281   85.952   76.726
LGA    R    97_A      R    97_A     1.646     0    0.047   1.289     6.854   75.000   53.983
LGA    R    98_A      R    98_A     1.800     0    0.034   1.151     4.530   70.833   64.113
LGA    Q    99_A      Q    99_A     2.334     0    0.014   0.998     3.462   60.952   60.582
LGA    P   100_A      P   100_A     3.254     0    0.035   0.091     3.774   51.786   50.136
LGA    D   101_A      D   101_A     3.419     0    0.070   0.120     3.641   48.333   46.667
LGA    G   102_A      G   102_A     2.882     0    0.010   0.010     3.003   55.357   55.357
LGA    S   103_A      S   103_A     2.741     0    0.018   0.038     3.060   60.952   57.302
LGA    Y   104_A      Y   104_A     1.833     0    0.041   0.146     2.151   70.833   72.183
LGA    V   105_A      V   105_A     1.800     0    0.013   0.035     2.117   72.857   71.701
LGA    Q   106_A      Q   106_A     1.335     0    0.025   0.256     2.439   79.286   73.016
LGA    Y   107_A      Y   107_A     0.875     0    0.112   0.191     1.484   85.952   85.952
LGA    S   108_A      S   108_A     0.853     0    0.065   0.612     1.607   90.476   86.032
LGA    Q   109_A      Q   109_A     1.245     0    0.037   0.207     1.819   81.429   77.619
LGA    L   110_A      L   110_A     1.210     0    0.121   1.318     2.983   79.286   73.214
LGA    E   111_A      E   111_A     1.060     0    0.030   0.623     2.398   83.690   79.630
LGA    L   112_A      L   112_A     0.683     0    0.018   0.060     0.899   90.476   90.476
LGA    L   113_A      L   113_A     1.147     0    0.390   0.323     1.781   83.690   82.619
LGA    G   114_A      G   114_A     3.512     0    0.130   0.130     3.661   48.452   48.452
LGA    S   115_A      S   115_A     4.853     0    0.215   0.267     6.385   32.857   28.333
LGA    G   116_A      G   116_A     5.382     0    0.059   0.059     5.382   26.190   26.190

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      114     456    456  100.00     953    953  100.00               114
SUMMARY(RMSD_GDC):     1.492          1.474                  2.076           82.829   77.254

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0    114    1.49    88.596    94.806     7.161

LGA_LOCAL      RMSD:   1.492  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.492  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:   1.492  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.383046 * X  +  -0.274560 * Y  +  -0.881982 * Z  +   9.415818
  Y_new =   0.229096 * X  +   0.953212 * Y  +  -0.197238 * Z  +  -8.703542
  Z_new =   0.894869 * X  +  -0.126507 * Y  +   0.428024 * Z  +   8.920473 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.539014 -1.108138 -0.287380   [DEG:   30.8832  -63.4917  -16.4656 ]
ZXZ: -1.350786  1.128491  1.711235   [DEG:  -77.3944   64.6578   98.0466 ]
 
# END of job
