
#######################################################
#                                                     #
#                        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  125 ( 1004),  selected  125 , name one
# Molecule2: number of CA atoms  205 ( 1624),  selected  125 , 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:   125       3_A - 127_A       1.84     1.84
  LCS_AVERAGE:     60.98

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   125       3_A - 127_A       1.84     1.84
  LCS_AVERAGE:     60.98

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45       4_A - 48_A        0.99     1.96
  LCS_AVERAGE:     18.20

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     N     3_A     N     3_A      3  125  125      0    3   20   24   70  105  114  120  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     I     4_A     I     4_A     45  125  125     11   29   94  110  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     E     5_A     E     5_A     45  125  125     12   72   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     V     6_A     V     6_A     45  125  125     21   74   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     A     7_A     A     7_A     45  125  125     11   72   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     R     8_A     R     8_A     45  125  125     11   72   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     A     9_A     A     9_A     45  125  125     22   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     A    10_A     A    10_A     45  125  125     25   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     R    11_A     R    11_A     45  125  125     25   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     L    12_A     L    12_A     45  125  125     26   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     A    13_A     A    13_A     45  125  125     33   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     Q    14_A     Q    14_A     45  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     I    15_A     I    15_A     45  125  125     22   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     F    16_A     F    16_A     45  125  125     23   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     K    17_A     K    17_A     45  125  125     18   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     E    18_A     E    18_A     45  125  125     18   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     I    19_A     I    19_A     45  125  125     26   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     C    20_A     C    20_A     45  125  125     30   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     D    21_A     D    21_A     45  125  125     26   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     G    22_A     G    22_A     45  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     I    23_A     I    23_A     45  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     I    24_A     I    24_A     45  125  125     25   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     S    25_A     S    25_A     45  125  125     25   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     Y    26_A     Y    26_A     45  125  125     25   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     R    27_A     R    27_A     45  125  125     25   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     D    28_A     D    28_A     45  125  125     22   76   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     S    29_A     S    29_A     45  125  125     14   74   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     S    30_A     S    30_A     45  125  125     12   70   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     Q    31_A     Q    31_A     45  125  125     17   74   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     Q    32_A     Q    32_A     45  125  125      8   74   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     T    33_A     T    33_A     45  125  125     11   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     L    34_A     L    34_A     45  125  125     25   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     A    35_A     A    35_A     45  125  125     22   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     A    36_A     A    36_A     45  125  125     25   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     P    37_A     P    37_A     45  125  125     25   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     L    38_A     L    38_A     45  125  125     25   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     L    39_A     L    39_A     45  125  125     11   74   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     N    40_A     N    40_A     45  125  125     28   74   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     L    41_A     L    41_A     45  125  125     26   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     P    42_A     P    42_A     45  125  125     30   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     P    43_A     P    43_A     45  125  125      5   43   97  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     K    44_A     K    44_A     45  125  125     26   74   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     K    45_A     K    45_A     45  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     K    46_A     K    46_A     45  125  125     21   74   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     N    47_A     N    47_A     45  125  125     15   68   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     A    48_A     A    48_A     45  125  125     15   63   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     D    49_A     D    49_A     19  125  125      4   23   92  110  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     Y    50_A     Y    50_A     19  125  125      9   66   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     Y    51_A     Y    51_A     36  125  125     25   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     E    52_A     E    52_A     36  125  125      6   34   92  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     K    53_A     K    53_A     41  125  125      3   13   62  103  113  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     I    54_A     I    54_A     41  125  125     18   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     S    55_A     S    55_A     41  125  125      3   23   67  105  115  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     D    56_A     D    56_A     41  125  125      7   62   93  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     P    57_A     P    57_A     41  125  125     10   60   98  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     L    58_A     L    58_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     D    59_A     D    59_A     41  125  125     22   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     L    60_A     L    60_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     S    61_A     S    61_A     41  125  125      8   72   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     T    62_A     T    62_A     41  125  125     18   69   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     I    63_A     I    63_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     E    64_A     E    64_A     41  125  125     31   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     K    65_A     K    65_A     41  125  125     18   71   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     Q    66_A     Q    66_A     41  125  125     31   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     I    67_A     I    67_A     41  125  125     31   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     L    68_A     L    68_A     41  125  125      9   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     I    69_A     I    69_A     41  125  125     28   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     G    70_A     G    70_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     Y    71_A     Y    71_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     Y    72_A     Y    72_A     41  125  125      9   76   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     K    73_A     K    73_A     41  125  125     14   65   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     T    74_A     T    74_A     41  125  125     17   72   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     V    75_A     V    75_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     E    76_A     E    76_A     41  125  125     12   73   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     A    77_A     A    77_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     F    78_A     F    78_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     D    79_A     D    79_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     A    80_A     A    80_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     D    81_A     D    81_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     M    82_A     M    82_A     41  125  125     22   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     L    83_A     L    83_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     K    84_A     K    84_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     V    85_A     V    85_A     41  125  125     22   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     F    86_A     F    86_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     R    87_A     R    87_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     N    88_A     N    88_A     41  125  125     17   76   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     A    89_A     A    89_A     41  125  125     25   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     E    90_A     E    90_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     K    91_A     K    91_A     41  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     Y    92_A     Y    92_A     41  125  125      4   54   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     Y    93_A     Y    93_A     41  125  125     10   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     G    94_A     G    94_A     41  125  125      3    7   17  102  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     R    95_A     R    95_A      4  125  125      3    4    4    6   19   25   67   80  119  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     K    96_A     K    96_A      4  125  125      3   12   15   25   87  109  117  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     S    97_A     S    97_A      4  125  125      3    4   21   35   84  109  117  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     P    98_A     P    98_A      4  125  125      3    4   23   42   95  113  118  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     I    99_A     I    99_A     28  125  125      7   58   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     G   100_A     G   100_A     28  125  125      7   65   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     R   101_A     R   101_A     28  125  125      7   65   98  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     D   102_A     D   102_A     28  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     V   103_A     V   103_A     28  125  125     26   76   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     C   104_A     C   104_A     28  125  125      7   72   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     R   105_A     R   105_A     28  125  125     22   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     L   106_A     L   106_A     28  125  125     18   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     R   107_A     R   107_A     28  125  125     18   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     K   108_A     K   108_A     28  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     A   109_A     A   109_A     28  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     Y   110_A     Y   110_A     28  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     Y   111_A     Y   111_A     28  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     S   112_A     S   112_A     28  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     A   113_A     A   113_A     28  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     R   114_A     R   114_A     28  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     H   115_A     H   115_A     28  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     E   116_A     E   116_A     28  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     A   117_A     A   117_A     28  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     S   118_A     S   118_A     28  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     A   119_A     A   119_A     28  125  125     14   66   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     Q   120_A     Q   120_A     28  125  125     34   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     I   121_A     I   121_A     28  125  125     25   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     D   122_A     D   122_A     28  125  125     14   66   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     E   123_A     E   123_A     28  125  125     25   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     I   124_A     I   124_A     28  125  125     25   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     V   125_A     V   125_A     28  125  125     16   77   99  112  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     G   126_A     G   126_A     28  125  125      4   16   54   88  117  119  119  121  122  123  124  124  124  124  124  125  125  125  125  125 
LCS_GDT     E   127_A     E   127_A      3  125  125      0    3    3    3    4    6    8    8   24   28   33   51  122  124  124  125  125  125  125  125 
LCS_AVERAGE  LCS_A:  46.72  (  18.20   60.98   60.98 )

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     34     77     99    112    117    119    119    121    122    123    124    124    124    124    124    125    125    125    125    125 
GDT PERCENT_AT  16.59  37.56  48.29  54.63  57.07  58.05  58.05  59.02  59.51  60.00  60.49  60.49  60.49  60.49  60.49  60.98  60.98  60.98  60.98  60.98
GDT RMS_LOCAL    0.36   0.68   0.85   1.00   1.12   1.19   1.19   1.35   1.43   1.52   1.61   1.61   1.61   1.61   1.61   1.84   1.84   1.84   1.84   1.84
GDT RMS_ALL_AT   1.96   1.87   1.88   1.87   1.86   1.85   1.85   1.84   1.84   1.85   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84   1.84

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  E    18_A      E    18_A
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  D    28_A      D    28_A
#   possible swapping detected:  D    49_A      D    49_A
#   possible swapping detected:  D    56_A      D    56_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  Y    71_A      Y    71_A
#   possible swapping detected:  Y    72_A      Y    72_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  F    86_A      F    86_A
#   possible swapping detected:  E    90_A      E    90_A
#   possible swapping detected:  Y    93_A      Y    93_A
#   possible swapping detected:  D   102_A      D   102_A
#   possible swapping detected:  Y   111_A      Y   111_A
#   possible swapping detected:  D   122_A      D   122_A
#   possible swapping detected:  E   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N     3_A      N     3_A     5.790     0    0.193   1.004     9.952   31.190   17.262
LGA    I     4_A      I     4_A     2.480     0    0.629   0.711     7.238   64.762   41.250
LGA    E     5_A      E     5_A     1.846     0    0.040   0.971     2.685   70.833   66.667
LGA    V     6_A      V     6_A     1.405     0    0.043   0.061     1.697   79.286   76.531
LGA    A     7_A      A     7_A     1.737     0    0.040   0.046     2.063   75.000   72.952
LGA    R     8_A      R     8_A     1.577     0    0.076   1.355     7.676   75.000   50.476
LGA    A     9_A      A     9_A     0.912     0    0.132   0.141     1.122   88.214   88.667
LGA    A    10_A      A    10_A     0.877     0    0.050   0.051     1.063   90.476   88.667
LGA    R    11_A      R    11_A     0.870     0    0.082   0.951     4.826   92.857   71.169
LGA    L    12_A      L    12_A     0.505     0    0.114   0.183     1.008   95.238   91.726
LGA    A    13_A      A    13_A     0.189     0    0.061   0.065     0.464  100.000  100.000
LGA    Q    14_A      Q    14_A     0.821     0    0.093   1.321     6.266   90.476   67.884
LGA    I    15_A      I    15_A     0.948     0    0.059   0.095     1.796   90.476   83.810
LGA    F    16_A      F    16_A     0.640     0    0.045   0.189     1.145   88.214   88.009
LGA    K    17_A      K    17_A     0.752     0    0.054   0.615     1.761   90.476   88.571
LGA    E    18_A      E    18_A     0.842     0    0.063   1.194     3.604   90.476   74.180
LGA    I    19_A      I    19_A     0.724     0    0.050   0.130     0.980   90.476   90.476
LGA    C    20_A      C    20_A     0.624     0    0.046   0.048     0.661   90.476   90.476
LGA    D    21_A      D    21_A     0.778     0    0.076   0.920     3.954   92.857   76.548
LGA    G    22_A      G    22_A     0.494     0    0.056   0.056     0.588   97.619   97.619
LGA    I    23_A      I    23_A     0.488     0    0.015   0.495     1.523  100.000   93.036
LGA    I    24_A      I    24_A     0.617     0    0.051   0.055     1.000   92.857   91.667
LGA    S    25_A      S    25_A     0.677     0    0.263   0.604     3.924   88.214   79.603
LGA    Y    26_A      Y    26_A     0.520     0    0.031   0.173     1.778   95.238   88.373
LGA    R    27_A      R    27_A     0.873     0    0.024   0.978     5.543   85.952   66.710
LGA    D    28_A      D    28_A     1.262     0    0.067   0.171     1.866   81.429   78.214
LGA    S    29_A      S    29_A     1.780     0    0.056   0.660     3.799   72.857   66.587
LGA    S    30_A      S    30_A     1.982     0    0.066   0.635     3.297   72.857   67.698
LGA    Q    31_A      Q    31_A     1.329     0    0.221   0.393     2.384   85.952   75.979
LGA    Q    32_A      Q    32_A     1.118     0    0.036   1.387     5.939   81.429   62.222
LGA    T    33_A      T    33_A     0.985     0    0.018   0.878     1.846   88.214   84.150
LGA    L    34_A      L    34_A     0.443     0    0.031   0.180     0.900   97.619   95.238
LGA    A    35_A      A    35_A     0.704     0    0.032   0.034     0.906   90.476   90.476
LGA    A    36_A      A    36_A     0.820     0    0.018   0.019     0.918   90.476   90.476
LGA    P    37_A      P    37_A     0.786     0    0.046   0.273     1.083   88.214   89.184
LGA    L    38_A      L    38_A     0.838     0    0.109   0.282     1.019   90.476   88.214
LGA    L    39_A      L    39_A     1.071     0    0.156   1.410     2.627   88.214   80.774
LGA    N    40_A      N    40_A     1.124     0    0.055   1.099     4.178   88.214   75.060
LGA    L    41_A      L    41_A     1.141     0    0.050   0.328     2.243   79.286   75.060
LGA    P    42_A      P    42_A     1.052     0    0.126   0.264     1.819   81.548   84.082
LGA    P    43_A      P    43_A     2.118     0    0.062   0.244     3.252   72.976   67.415
LGA    K    44_A      K    44_A     1.516     0    0.086   0.691     2.924   81.667   69.735
LGA    K    45_A      K    45_A     0.995     0    0.045   1.152     5.061   90.595   69.048
LGA    K    46_A      K    46_A     1.312     0    0.084   1.117     6.974   79.286   62.751
LGA    N    47_A      N    47_A     1.549     0    0.099   0.087     2.368   75.000   72.917
LGA    A    48_A      A    48_A     1.504     0    0.100   0.109     1.710   72.857   74.571
LGA    D    49_A      D    49_A     2.226     0    0.136   0.932     3.884   66.786   58.571
LGA    Y    50_A      Y    50_A     1.324     0    0.037   0.546     5.082   83.810   61.984
LGA    Y    51_A      Y    51_A     0.392     0    0.028   0.558     2.940   88.333   77.619
LGA    E    52_A      E    52_A     2.072     0    0.120   1.187     6.791   63.333   50.794
LGA    K    53_A      K    53_A     3.042     0    0.126   1.197     6.850   53.571   45.661
LGA    I    54_A      I    54_A     0.875     0    0.197   0.206     1.598   81.548   82.679
LGA    S    55_A      S    55_A     2.929     0    0.203   0.612     4.032   59.048   52.778
LGA    D    56_A      D    56_A     2.136     0    0.036   0.537     2.589   70.952   67.917
LGA    P    57_A      P    57_A     1.917     0    0.635   0.728     4.431   61.905   62.041
LGA    L    58_A      L    58_A     0.689     0    0.080   1.252     3.226   86.071   77.738
LGA    D    59_A      D    59_A     0.793     0    0.193   0.683     2.035   92.857   83.988
LGA    L    60_A      L    60_A     0.154     0    0.037   0.048     1.159  100.000   94.107
LGA    S    61_A      S    61_A     1.307     0    0.080   0.567     1.979   83.690   80.079
LGA    T    62_A      T    62_A     1.526     0    0.036   0.147     2.522   79.286   73.129
LGA    I    63_A      I    63_A     0.609     0    0.010   0.071     1.163   95.238   90.595
LGA    E    64_A      E    64_A     0.547     0    0.098   1.028     4.225   92.857   77.407
LGA    K    65_A      K    65_A     1.191     0    0.132   0.777     2.027   88.214   79.735
LGA    Q    66_A      Q    66_A     0.761     0    0.074   0.518     2.415   90.476   84.603
LGA    I    67_A      I    67_A     0.480     0    0.017   0.070     0.742   95.238   92.857
LGA    L    68_A      L    68_A     0.906     0    0.045   0.126     2.307   90.476   81.726
LGA    I    69_A      I    69_A     0.945     0    0.074   1.310     4.107   88.214   78.214
LGA    G    70_A      G    70_A     0.681     0    0.083   0.083     0.970   90.476   90.476
LGA    Y    71_A      Y    71_A     0.636     0    0.079   0.192     0.886   90.476   90.476
LGA    Y    72_A      Y    72_A     1.190     0    0.600   0.457     3.130   75.833   78.929
LGA    K    73_A      K    73_A     1.718     0    0.196   0.753     2.782   68.929   72.328
LGA    T    74_A      T    74_A     1.390     0    0.075   0.131     2.181   85.952   79.184
LGA    V    75_A      V    75_A     0.636     0    0.015   1.120     2.462   90.476   83.129
LGA    E    76_A      E    76_A     1.256     0    0.107   0.734     3.767   88.214   71.164
LGA    A    77_A      A    77_A     0.882     0    0.027   0.027     1.266   90.476   88.667
LGA    F    78_A      F    78_A     0.430     0    0.025   0.324     1.035   95.238   93.117
LGA    D    79_A      D    79_A     0.404     0    0.081   1.003     4.540  100.000   81.667
LGA    A    80_A      A    80_A     0.568     0    0.021   0.020     0.829   92.857   92.381
LGA    D    81_A      D    81_A     0.810     0    0.022   0.505     2.032   90.476   85.000
LGA    M    82_A      M    82_A     0.742     0    0.023   0.621     2.176   90.476   85.000
LGA    L    83_A      L    83_A     0.428     0    0.040   0.087     0.506   97.619   97.619
LGA    K    84_A      K    84_A     0.403     0    0.072   0.999     3.881   95.238   82.857
LGA    V    85_A      V    85_A     0.834     0    0.008   1.097     2.824   90.476   81.905
LGA    F    86_A      F    86_A     0.665     0    0.021   0.325     1.048   90.476   90.519
LGA    R    87_A      R    87_A     0.613     0    0.096   1.240     4.116   90.476   70.866
LGA    N    88_A      N    88_A     1.016     0    0.050   1.201     4.027   88.214   77.143
LGA    A    89_A      A    89_A     0.705     0    0.059   0.063     0.769   90.476   90.476
LGA    E    90_A      E    90_A     0.706     0    0.043   0.714     2.812   90.476   80.053
LGA    K    91_A      K    91_A     0.775     0    0.108   1.424     7.072   85.952   65.608
LGA    Y    92_A      Y    92_A     1.567     0    0.106   0.298     6.680   79.286   48.889
LGA    Y    93_A      Y    93_A     1.093     0    0.056   0.295     2.349   75.119   80.873
LGA    G    94_A      G    94_A     3.004     0    0.299   0.299     5.614   43.333   43.333
LGA    R    95_A      R    95_A     6.242     0    0.231   1.538    13.204   18.690    8.182
LGA    K    96_A      K    96_A     5.593     0    0.088   0.979     7.431   22.500   33.069
LGA    S    97_A      S    97_A     5.072     0    0.293   0.379     6.876   34.524   28.095
LGA    P    98_A      P    98_A     4.969     0    0.229   0.353     8.102   36.071   25.102
LGA    I    99_A      I    99_A     1.770     0    0.141   1.518     4.100   68.929   61.726
LGA    G   100_A      G   100_A     1.692     0    0.112   0.112     1.692   77.143   77.143
LGA    R   101_A      R   101_A     1.729     0    0.079   1.334     8.988   77.143   47.403
LGA    D   102_A      D   102_A     0.731     0    0.018   1.060     2.761   85.952   79.583
LGA    V   103_A      V   103_A     1.078     0    0.107   1.242     3.502   83.690   76.054
LGA    C   104_A      C   104_A     1.383     0    0.094   0.827     3.155   81.429   74.762
LGA    R   105_A      R   105_A     0.966     0    0.040   1.154     4.561   88.214   69.913
LGA    L   106_A      L   106_A     0.964     0    0.064   0.186     1.008   88.214   91.726
LGA    R   107_A      R   107_A     0.836     0    0.052   0.976     2.706   92.857   75.974
LGA    K   108_A      K   108_A     0.460     0    0.015   1.075     5.881   97.619   73.704
LGA    A   109_A      A   109_A     0.705     0    0.136   0.143     1.155   90.476   88.667
LGA    Y   110_A      Y   110_A     0.580     0    0.032   0.285     0.705   90.476   92.857
LGA    Y   111_A      Y   111_A     0.544     0    0.033   0.068     1.325   95.238   89.048
LGA    S   112_A      S   112_A     0.120     0    0.031   0.729     2.409  100.000   94.127
LGA    A   113_A      A   113_A     0.298     0    0.018   0.019     0.440  100.000  100.000
LGA    R   114_A      R   114_A     0.127     0    0.071   1.337     3.794   97.619   80.216
LGA    H   115_A      H   115_A     0.438     0    0.026   0.233     0.750   97.619   95.238
LGA    E   116_A      E   116_A     0.679     0    0.115   1.212     3.638   95.238   81.534
LGA    A   117_A      A   117_A     0.564     0    0.047   0.049     0.695   90.476   90.476
LGA    S   118_A      S   118_A     0.390     0    0.040   0.050     0.715   95.238   96.825
LGA    A   119_A      A   119_A     1.344     0    0.055   0.056     1.966   85.952   83.333
LGA    Q   120_A      Q   120_A     0.605     0    0.013   1.257     6.515   95.238   66.190
LGA    I   121_A      I   121_A     0.547     0    0.026   0.164     1.090   90.595   89.405
LGA    D   122_A      D   122_A     1.273     0    0.015   0.905     3.783   83.690   68.929
LGA    E   123_A      E   123_A     0.542     0    0.040   0.622     2.332   95.238   87.725
LGA    I   124_A      I   124_A     0.534     0    0.041   0.252     1.069   92.857   91.726
LGA    V   125_A      V   125_A     0.795     0    0.079   0.156     1.768   81.667   84.150
LGA    G   126_A      G   126_A     2.966     0    0.650   0.650     7.326   38.333   38.333
LGA    E   127_A      E   127_A    10.068     0    0.069   0.587    16.914    2.500    1.111

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00    1004   1004  100.00               205
SUMMARY(RMSD_GDC):     1.835          1.875                  2.689           50.472   46.148

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  125  205    4.0    121    1.35    53.049    56.842     8.352

LGA_LOCAL      RMSD:   1.349  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.845  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   1.835  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.176369 * X  +   0.851846 * Y  +  -0.493206 * Z  +   3.235601
  Y_new =  -0.593326 * X  +   0.491804 * Y  +   0.637254 * Z  + -32.858486
  Z_new =   0.785403 * X  +   0.180240 * Y  +   0.592161 * Z  +  25.281826 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.281860 -0.903348  0.295467   [DEG:  -73.4452  -51.7580   16.9290 ]
ZXZ: -2.482936  0.937058  1.345215   [DEG: -142.2618   53.6895   77.0751 ]
 
# END of job
