
#######################################################
#                                                     #
#                        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  131 (  981),  selected  121 , name one
# Molecule2: number of CA atoms  121 (  907),  selected  121 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.81     0.81
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.81     0.81
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.81     0.81
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  121
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     H    11_B     H    11_C    121  121  121     20  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C    121  121  121     52  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C    121  121  121     70  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C    121  121  121      7   90  112  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C    121  121  121      3    4    4   21   92  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C    121  121  121     47  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C    121  121  121      7   74  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C    121  121  121     62  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C    121  121  121     60  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C    121  121  121     70  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C    121  121  121     67  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C    121  121  121     68  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C    121  121  121     68  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C    121  121  121     70  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C    121  121  121     70  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C    121  121  121     59  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C    121  121  121      9   90  112  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C    121  121  121     65  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C    121  121  121     67  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C    121  121  121     66  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C    121  121  121     62  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C    121  121  121     62  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C    121  121  121     62  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C    121  121  121     67  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C    121  121  121     65  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C    121  121  121     28  105  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C    121  121  121     69  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C    121  121  121     47  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C    121  121  121     70  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C    121  121  121     51  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C    121  121  121     42   99  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C    121  121  121     10   86  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C    121  121  121     16   77  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C    121  121  121     32  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C    121  121  121     70  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C    121  121  121     70  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C    121  121  121     24  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C    121  121  121     42  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C    121  121  121     28   86  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C    121  121  121      6   83  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C    121  121  121     42   93  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C    121  121  121     51  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C    121  121  121     61  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C    121  121  121     70  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C    121  121  121     70  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C    121  121  121     70  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C    121  121  121     72  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C    121  121  121     70  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C    121  121  121     67  107  117  119  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C    121  121  121      0    3   32   49  114  121  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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     72    107    117    119    119    121    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  59.50  88.43  96.69  98.35  98.35 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.51   0.65   0.69   0.69   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81
GDT RMS_ALL_AT   0.87   0.83   0.82   0.82   0.82   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81   0.81

# Checking swapping
#   possible swapping detected:  D    28_B      D    28_C
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  E    84_B      E    84_C
#   possible swapping detected:  D   106_B      D   106_C
#   possible swapping detected:  E   127_B      E   127_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     0.890     0    0.169   1.125     5.207   90.476   68.095
LGA    T    12_B      T    12_C     0.323     0    0.045   1.132     2.638   97.619   86.395
LGA    D    13_B      D    13_C     0.141     0    0.053   1.175     4.300  100.000   83.333
LGA    K    14_B      K    14_C     0.087     0    0.019   0.579     3.161  100.000   88.413
LGA    L    15_B      L    15_C     0.212     0    0.046   0.109     0.455  100.000  100.000
LGA    W    16_B      W    16_C     0.332     0    0.069   0.087     1.103  100.000   91.939
LGA    Y    17_B      Y    17_C     0.268     0    0.041   0.186     1.272  100.000   93.770
LGA    I    18_B      I    18_C     0.319     0    0.018   0.066     0.406  100.000  100.000
LGA    L    19_B      L    19_C     0.313     0    0.025   0.046     0.479  100.000  100.000
LGA    Q    20_B      Q    20_C     0.323     0    0.042   1.265     3.215  100.000   83.651
LGA    E    21_B      E    21_C     0.456     0    0.013   1.081     5.378  100.000   74.127
LGA    L    22_B      L    22_C     0.717     0    0.044   1.384     3.063   90.476   81.071
LGA    T    23_B      T    23_C     0.730     0    0.040   0.078     0.905   90.476   90.476
LGA    S    24_B      S    24_C     0.524     0    0.058   0.082     1.368   90.476   87.460
LGA    N    25_B      N    25_C     1.767     0    0.480   0.854     6.124   69.286   53.452
LGA    R    26_B      R    26_C     3.229     0    0.613   1.178     7.407   50.357   33.766
LGA    G    27_B      G    27_C     0.969     0    0.091   0.091     1.184   85.952   85.952
LGA    D    28_B      D    28_C     1.495     0    0.210   1.009     2.600   85.952   75.417
LGA    I    29_B      I    29_C     0.619     0    0.033   0.054     1.213   90.476   89.345
LGA    Q    30_B      Q    30_C     0.657     0    0.065   0.161     1.754   95.238   86.667
LGA    G    31_B      G    31_C     0.378     0    0.036   0.036     0.497  100.000  100.000
LGA    C    32_B      C    32_C     0.446     0    0.014   0.759     1.996  100.000   93.889
LGA    T    33_B      T    33_C     0.304     0    0.040   0.120     0.509  100.000   98.639
LGA    I    34_B      I    34_C     0.289     0    0.030   0.069     0.358  100.000  100.000
LGA    V    35_B      V    35_C     0.441     0    0.060   1.123     2.535  100.000   88.639
LGA    T    36_B      T    36_C     0.259     0    0.024   0.055     0.503  100.000   98.639
LGA    T    37_B      T    37_C     0.283     0    0.028   0.091     0.821  100.000   97.279
LGA    Q    38_B      Q    38_C     0.478     0    0.060   1.056     4.291   95.238   85.767
LGA    G    39_B      G    39_C     0.650     0    0.017   0.017     0.945   90.476   90.476
LGA    L    40_B      L    40_C     0.836     0    0.019   0.070     1.608   92.857   85.000
LGA    P    41_B      P    41_C     0.614     0    0.022   0.298     0.927   95.238   94.558
LGA    I    42_B      I    42_C     0.564     0    0.024   0.065     0.603   90.476   91.667
LGA    T    43_B      T    43_C     0.498     0    0.029   0.038     0.531   97.619   95.918
LGA    S    44_B      S    44_C     0.334     0    0.047   0.585     2.274   97.619   92.540
LGA    L    45_B      L    45_C     0.560     0    0.129   0.696     2.287   92.857   88.452
LGA    L    46_B      L    46_C     0.718     0    0.020   0.079     0.992   90.476   90.476
LGA    A    47_B      A    47_C     0.763     0    0.027   0.031     0.945   90.476   90.476
LGA    D    48_B      D    48_C     0.441     0    0.035   0.116     1.203   90.595   94.107
LGA    D    49_B      D    49_C     1.728     0    0.095   0.865     2.701   79.286   75.238
LGA    A    50_B      A    50_C     1.039     0    0.118   0.140     1.216   81.429   83.238
LGA    N    51_B      N    51_C     1.007     0    0.068   0.135     1.462   83.690   82.560
LGA    V    52_B      V    52_C     0.534     0    0.010   0.055     0.658   90.476   91.837
LGA    S    53_B      S    53_C     0.748     0    0.018   0.645     2.846   88.214   83.413
LGA    L    54_B      L    54_C     1.006     0    0.034   0.079     1.168   83.690   85.952
LGA    I    55_B      I    55_C     0.948     0    0.010   0.022     0.966   90.476   90.476
LGA    S    56_B      S    56_C     0.876     0    0.032   0.054     1.117   85.952   87.460
LGA    A    57_B      A    57_C     0.924     0    0.018   0.016     0.991   90.476   90.476
LGA    M    58_B      M    58_C     0.760     0    0.037   0.877     3.182   90.476   81.250
LGA    S    59_B      S    59_C     0.734     0    0.019   0.631     2.957   90.476   84.921
LGA    A    60_B      A    60_C     0.736     0    0.030   0.035     0.805   90.476   90.476
LGA    A    61_B      A    61_C     0.813     0    0.016   0.014     0.903   90.476   90.476
LGA    I    62_B      I    62_C     0.670     0    0.019   0.077     1.034   95.238   91.726
LGA    I    63_B      I    63_C     0.384     0    0.028   0.544     1.642  100.000   95.417
LGA    S    64_B      S    64_C     0.523     0    0.038   0.717     2.485   90.476   86.190
LGA    V    65_B      V    65_C     0.325     0    0.027   0.068     0.474  100.000  100.000
LGA    A    66_B      A    66_C     0.375     0    0.033   0.037     0.488  100.000  100.000
LGA    E    67_B      E    67_C     0.420     0    0.023   1.196     4.552  100.000   82.434
LGA    S    68_B      S    68_C     0.334     0    0.015   0.694     2.257  100.000   94.127
LGA    A    69_B      A    69_C     0.170     0    0.013   0.012     0.302  100.000  100.000
LGA    S    70_B      S    70_C     0.366     0    0.023   0.136     0.496  100.000  100.000
LGA    Q    71_B      Q    71_C     0.531     0    0.033   0.659     3.120   97.619   76.455
LGA    E    72_B      E    72_C     0.452     0    0.045   0.743     2.111  100.000   88.942
LGA    L    73_B      L    73_C     0.456     0    0.047   0.223     0.734  100.000   97.619
LGA    Q    74_B      Q    74_C     0.359     0    0.098   0.244     2.117   97.619   89.841
LGA    R    75_B      R    75_C     0.576     0    0.104   1.223     2.320   92.857   82.641
LGA    G    76_B      G    76_C     0.575     0    0.090   0.090     0.575   95.238   95.238
LGA    Y    77_B      Y    77_C     1.177     0    0.088   0.109     3.004   85.952   70.675
LGA    L    78_B      L    78_C     0.431     0    0.134   0.198     0.734   92.857   95.238
LGA    Q    79_B      Q    79_C     0.773     0    0.057   0.931     2.168   95.238   84.815
LGA    R    80_B      R    80_C     0.497     0    0.094   0.788     2.903   95.238   85.065
LGA    I    81_B      I    81_C     0.530     0    0.012   0.717     2.981   90.476   87.500
LGA    L    82_B      L    82_C     0.366     0    0.051   0.116     1.152   97.619   92.917
LGA    L    83_B      L    83_C     0.167     0    0.043   0.778     1.872  100.000   93.214
LGA    E    84_B      E    84_C     0.150     0    0.065   0.629     2.518   97.619   90.000
LGA    G    85_B      G    85_C     0.895     0    0.035   0.035     0.975   90.476   90.476
LGA    E    86_B      E    86_C     1.311     0    0.037   0.721     2.558   79.286   74.021
LGA    L    87_B      L    87_C     1.684     0    0.041   0.047     2.174   72.857   70.833
LGA    G    88_B      G    88_C     1.755     0    0.030   0.030     1.755   77.143   77.143
LGA    T    89_B      T    89_C     0.984     0    0.055   0.109     1.281   85.952   85.306
LGA    I    90_B      I    90_C     0.367     0    0.029   0.056     0.442  100.000  100.000
LGA    I    91_B      I    91_C     0.138     0    0.020   0.096     0.688  100.000   98.810
LGA    I    92_B      I    92_C     0.401     0    0.035   0.052     0.453  100.000  100.000
LGA    S    93_B      S    93_C     0.451     0    0.015   0.166     0.771  100.000   98.413
LGA    K    94_B      K    94_C     0.226     0    0.032   0.340     2.103  100.000   92.963
LGA    A    95_B      A    95_C     0.266     0    0.030   0.031     0.396  100.000  100.000
LGA    G    96_B      G    96_C     0.246     0    0.071   0.071     0.437  100.000  100.000
LGA    P    97_B      P    97_C     0.249     0    0.055   0.065     0.471  100.000  100.000
LGA    H    98_B      H    98_C     0.285     0    0.022   1.150     3.020  100.000   87.905
LGA    A    99_B      A    99_C     0.076     0    0.033   0.030     0.321  100.000  100.000
LGA    I   100_B      I   100_C     0.418     0    0.042   1.190     2.691  100.000   84.643
LGA    L   101_B      L   101_C     0.218     0    0.012   0.067     0.390  100.000  100.000
LGA    V   102_B      V   102_C     0.221     0    0.018   0.071     0.339  100.000  100.000
LGA    S   103_B      S   103_C     0.126     0    0.042   0.090     0.282  100.000  100.000
LGA    L   104_B      L   104_C     0.483     0    0.011   0.082     1.100   95.238   91.726
LGA    V   105_B      V   105_C     0.871     0    0.087   1.172     2.729   90.476   82.041
LGA    D   106_B      D   106_C     0.965     0    0.024   0.920     2.709   85.952   78.571
LGA    K   107_B      K   107_C     1.621     0    0.061   1.089     8.175   75.000   55.291
LGA    D   108_B      D   108_C     1.818     0    0.072   0.190     2.324   72.857   69.821
LGA    A   109_B      A   109_C     1.365     0    0.091   0.110     1.567   79.286   79.714
LGA    K   110_B      K   110_C     1.055     0    0.095   1.430     7.839   83.690   61.429
LGA    L   111_B      L   111_C     0.578     0    0.073   1.372     3.402   95.238   82.381
LGA    G   112_B      G   112_C     0.434     0    0.065   0.065     0.650   97.619   97.619
LGA    I   113_B      I   113_C     0.309     0    0.006   0.045     0.544  100.000   98.810
LGA    I   114_B      I   114_C     0.435     0    0.028   0.642     1.991  100.000   94.226
LGA    L   115_B      L   115_C     0.435     0    0.073   0.115     0.823  100.000   95.238
LGA    M   116_B      M   116_C     0.244     0    0.041   1.218     4.997  100.000   86.071
LGA    L   117_B      L   117_C     0.323     0    0.035   0.139     0.469  100.000  100.000
LGA    I   118_B      I   118_C     0.345     0    0.061   0.081     0.424  100.000  100.000
LGA    D   119_B      D   119_C     0.269     0    0.066   0.323     0.926   97.619   95.238
LGA    K   120_B      K   120_C     0.278     0    0.016   0.425     1.946  100.000   95.926
LGA    A   121_B      A   121_C     0.249     0    0.033   0.035     0.295  100.000  100.000
LGA    I   122_B      I   122_C     0.392     0    0.023   0.077     0.572   97.619   98.810
LGA    K   123_B      K   123_C     0.500     0    0.033   0.978     4.537   97.619   83.175
LGA    Q   124_B      Q   124_C     0.304     0    0.011   0.186     0.778  100.000   96.825
LGA    I   125_B      I   125_C     0.268     0    0.019   0.020     0.405  100.000  100.000
LGA    A   126_B      A   126_C     0.388     0    0.043   0.050     0.595   97.619   98.095
LGA    E   127_B      E   127_C     0.488     0    0.037   0.114     1.042  100.000   93.704
LGA    L   128_B      L   128_C     0.354     0    0.050   1.092     2.498   97.619   90.000
LGA    M   129_B      M   129_C     0.473     0    0.020   0.051     0.695   95.238   92.857
LGA    D   130_B      D   130_C     0.742     0    0.596   0.906     4.723   86.071   69.464
LGA    A   131_B      A   131_C     3.490     0    0.144   0.202     5.744   40.000   36.286

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      121     484    484  100.00     907    907  100.00               121
SUMMARY(RMSD_GDC):     0.813          0.850                  1.438           93.478   88.525

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.81    96.694    98.615    13.251

LGA_LOCAL      RMSD:   0.813  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.813  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.813  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.677259 * X  +  -0.197603 * Y  +   0.708713 * Z  +  21.430035
  Y_new =  -0.382172 * X  +  -0.728631 * Y  +  -0.568367 * Z  +  -5.163033
  Z_new =   0.628701 * X  +  -0.655782 * Y  +   0.417954 * Z  +  22.178724 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.627843 -0.679881 -1.003375   [DEG: -150.5643  -38.9543  -57.4891 ]
ZXZ:  0.894855  1.139604  2.377275   [DEG:   51.2714   65.2945  136.2078 ]
 
# END of job
