
#######################################################
#                                                     #
#                        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       0.82     0.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.82     0.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       0.82     0.82
  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     64  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     71  106  117  119  119  120  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     65  106  117  119  119  120  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     74  106  117  119  119  120  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     27  101  113  119  119  120  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      4    4    4   68  116  120  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     46  106  117  119  119  120  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      6   86  117  119  119  120  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     73  106  117  119  119  120  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     65  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     73  106  117  119  119  120  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     73  106  117  119  119  120  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     74  106  117  119  119  120  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     66  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     44  106  117  119  119  120  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     71  106  117  119  119  120  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     74  106  117  119  119  120  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     32   99  113  119  119  120  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     46  105  117  119  119  120  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     46  105  117  119  119  120  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     74  106  117  119  119  120  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     71  106  117  119  119  120  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     71  106  117  119  119  120  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     71  106  117  119  119  120  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     71  106  117  119  119  120  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     71  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     72  106  117  119  119  120  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     11  104  117  119  119  120  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     73  106  117  119  119  120  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     64  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     53  106  117  119  119  120  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     12   96  117  119  119  120  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     12   86  117  119  119  120  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     12   86  117  119  119  120  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     21  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     73  106  117  119  119  120  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     56  106  117  119  119  120  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     51  106  117  119  119  120  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     25   86  117  119  119  120  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      9   82  117  119  119  120  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     48   94  117  119  119  120  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     48  106  117  119  119  120  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     67  106  117  119  119  120  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     73  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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     74  106  117  119  119  120  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      3    3   47   64  111  120  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     74    106    117    119    119    120    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  61.16  87.60  96.69  98.35  98.35  99.17 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.49   0.65   0.68   0.68   0.74   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82
GDT RMS_ALL_AT   0.85   0.83   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82   0.82

# Checking swapping
#   possible swapping detected:  D    28_B      D    28_C
#   possible swapping detected:  D    49_B      D    49_C
#   possible swapping detected:  Y    77_B      Y    77_C
#   possible swapping detected:  E    84_B      E    84_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     0.729     0    0.201   1.167     5.408   92.857   69.048
LGA    T    12_B      T    12_C     0.515     0    0.022   1.153     3.026   95.238   82.653
LGA    D    13_B      D    13_C     0.288     0    0.045   1.184     4.589  100.000   80.714
LGA    K    14_B      K    14_C     0.211     0    0.017   0.557     2.907  100.000   90.159
LGA    L    15_B      L    15_C     0.214     0    0.035   0.103     0.572  100.000   98.810
LGA    W    16_B      W    16_C     0.127     0    0.067   0.073     0.734  100.000   95.918
LGA    Y    17_B      Y    17_C     0.152     0    0.030   0.162     0.980  100.000   96.825
LGA    I    18_B      I    18_C     0.382     0    0.018   0.056     0.434  100.000  100.000
LGA    L    19_B      L    19_C     0.410     0    0.014   0.037     0.506  100.000   98.810
LGA    Q    20_B      Q    20_C     0.320     0    0.023   1.274     3.359  100.000   83.651
LGA    E    21_B      E    21_C     0.483     0    0.016   0.788     3.076   97.619   81.799
LGA    L    22_B      L    22_C     0.717     0    0.025   1.373     3.130   90.476   81.071
LGA    T    23_B      T    23_C     0.622     0    0.033   0.034     0.781   90.476   91.837
LGA    S    24_B      S    24_C     0.345     0    0.061   0.091     1.120   97.619   93.730
LGA    N    25_B      N    25_C     1.626     0    0.481   0.891     6.011   71.071   54.345
LGA    R    26_B      R    26_C     3.115     0    0.608   1.028     6.949   52.262   35.584
LGA    G    27_B      G    27_C     0.948     0    0.117   0.117     1.167   88.214   88.214
LGA    D    28_B      D    28_C     1.423     0    0.158   0.957     2.473   85.952   76.369
LGA    I    29_B      I    29_C     0.584     0    0.049   0.087     1.176   90.476   89.345
LGA    Q    30_B      Q    30_C     0.638     0    0.066   0.144     1.716   95.238   86.667
LGA    G    31_B      G    31_C     0.304     0    0.034   0.034     0.420  100.000  100.000
LGA    C    32_B      C    32_C     0.380     0    0.025   0.793     2.030  100.000   92.540
LGA    T    33_B      T    33_C     0.202     0    0.028   0.105     0.304  100.000  100.000
LGA    I    34_B      I    34_C     0.183     0    0.008   0.029     0.227  100.000  100.000
LGA    V    35_B      V    35_C     0.098     0    0.013   1.108     2.464  100.000   89.932
LGA    T    36_B      T    36_C     0.320     0    0.042   0.063     0.561  100.000   97.279
LGA    T    37_B      T    37_C     0.427     0    0.031   0.078     1.170  100.000   93.333
LGA    Q    38_B      Q    38_C     0.554     0    0.060   1.030     4.477   92.857   83.704
LGA    G    39_B      G    39_C     0.528     0    0.019   0.019     0.890   92.857   92.857
LGA    L    40_B      L    40_C     0.874     0    0.039   0.079     1.922   95.238   85.119
LGA    P    41_B      P    41_C     0.418     0    0.014   0.283     0.731  100.000   95.918
LGA    I    42_B      I    42_C     0.378     0    0.036   0.064     0.402  100.000  100.000
LGA    T    43_B      T    43_C     0.364     0    0.037   0.057     0.526  100.000   98.639
LGA    S    44_B      S    44_C     0.284     0    0.051   0.565     2.316   97.619   92.540
LGA    L    45_B      L    45_C     0.472     0    0.066   0.228     0.826  100.000   96.429
LGA    L    46_B      L    46_C     0.688     0    0.018   0.073     0.963   90.476   90.476
LGA    A    47_B      A    47_C     0.840     0    0.019   0.028     1.124   90.476   88.667
LGA    D    48_B      D    48_C     0.236     0    0.036   0.089     1.177   92.976   91.786
LGA    D    49_B      D    49_C     1.687     0    0.118   0.824     2.507   79.286   76.369
LGA    A    50_B      A    50_C     1.104     0    0.116   0.133     1.287   81.429   83.238
LGA    N    51_B      N    51_C     1.120     0    0.099   0.144     1.642   83.690   81.488
LGA    V    52_B      V    52_C     0.596     0    0.039   0.073     0.801   90.476   90.476
LGA    S    53_B      S    53_C     0.814     0    0.019   0.652     3.029   88.214   82.222
LGA    L    54_B      L    54_C     1.017     0    0.044   0.110     1.188   83.690   83.690
LGA    I    55_B      I    55_C     0.913     0    0.022   0.026     0.962   90.476   90.476
LGA    S    56_B      S    56_C     0.880     0    0.026   0.025     0.943   90.476   90.476
LGA    A    57_B      A    57_C     0.879     0    0.014   0.022     0.956   90.476   90.476
LGA    M    58_B      M    58_C     0.662     0    0.043   0.888     3.360   90.476   81.250
LGA    S    59_B      S    59_C     0.658     0    0.023   0.627     2.808   90.476   84.921
LGA    A    60_B      A    60_C     0.670     0    0.026   0.035     0.723   90.476   90.476
LGA    A    61_B      A    61_C     0.716     0    0.014   0.019     0.809   90.476   90.476
LGA    I    62_B      I    62_C     0.590     0    0.030   0.139     0.978   95.238   92.857
LGA    I    63_B      I    63_C     0.254     0    0.028   0.057     0.311  100.000  100.000
LGA    S    64_B      S    64_C     0.420     0    0.043   0.736     2.264   97.619   90.952
LGA    V    65_B      V    65_C     0.326     0    0.022   0.060     0.412  100.000  100.000
LGA    A    66_B      A    66_C     0.349     0    0.018   0.025     0.436  100.000  100.000
LGA    E    67_B      E    67_C     0.406     0    0.016   1.191     4.730  100.000   81.587
LGA    S    68_B      S    68_C     0.312     0    0.024   0.744     2.532  100.000   92.857
LGA    A    69_B      A    69_C     0.225     0    0.015   0.016     0.308  100.000  100.000
LGA    S    70_B      S    70_C     0.599     0    0.012   0.079     0.741   92.857   92.063
LGA    Q    71_B      Q    71_C     0.801     0    0.036   0.712     3.331   90.476   74.868
LGA    E    72_B      E    72_C     0.593     0    0.065   0.672     2.194   92.857   82.963
LGA    L    73_B      L    73_C     0.475     0    0.041   0.230     0.634   92.857   94.048
LGA    Q    74_B      Q    74_C     0.726     0    0.073   0.182     2.885   90.476   78.095
LGA    R    75_B      R    75_C     0.468     0    0.103   1.442     3.561   97.619   80.823
LGA    G    76_B      G    76_C     0.502     0    0.082   0.082     0.575   92.857   92.857
LGA    Y    77_B      Y    77_C     1.209     0    0.067   1.268     8.766   85.952   50.040
LGA    L    78_B      L    78_C     0.394     0    0.140   0.203     0.850   92.857   95.238
LGA    Q    79_B      Q    79_C     0.691     0    0.059   0.964     2.949   95.238   85.873
LGA    R    80_B      R    80_C     0.517     0    0.074   1.196     4.414   92.857   81.775
LGA    I    81_B      I    81_C     0.511     0    0.016   0.685     2.856   95.238   89.881
LGA    L    82_B      L    82_C     0.341     0    0.028   0.830     2.065  100.000   88.690
LGA    L    83_B      L    83_C     0.242     0    0.059   0.782     1.894  100.000   93.214
LGA    E    84_B      E    84_C     0.195     0    0.069   0.468     2.002   97.619   92.910
LGA    G    85_B      G    85_C     0.954     0    0.023   0.023     1.051   85.952   85.952
LGA    E    86_B      E    86_C     1.358     0    0.044   0.719     2.559   77.143   74.974
LGA    L    87_B      L    87_C     1.734     0    0.039   0.049     2.362   72.857   69.821
LGA    G    88_B      G    88_C     1.764     0    0.049   0.049     1.764   77.143   77.143
LGA    T    89_B      T    89_C     0.981     0    0.068   0.171     1.319   85.952   85.306
LGA    I    90_B      I    90_C     0.309     0    0.006   0.062     0.406  100.000  100.000
LGA    I    91_B      I    91_C     0.127     0    0.055   0.108     0.612  100.000   98.810
LGA    I    92_B      I    92_C     0.348     0    0.019   0.040     0.394  100.000  100.000
LGA    S    93_B      S    93_C     0.346     0    0.019   0.159     0.779  100.000   98.413
LGA    K    94_B      K    94_C     0.230     0    0.016   0.404     2.119  100.000   94.021
LGA    A    95_B      A    95_C     0.257     0    0.045   0.059     0.566   97.619   98.095
LGA    G    96_B      G    96_C     0.396     0    0.079   0.079     0.724   97.619   97.619
LGA    P    97_B      P    97_C     0.277     0    0.059   0.064     0.438  100.000  100.000
LGA    H    98_B      H    98_C     0.409     0    0.065   1.149     3.153   97.619   86.952
LGA    A    99_B      A    99_C     0.223     0    0.045   0.049     0.424  100.000  100.000
LGA    I   100_B      I   100_C     0.329     0    0.040   1.203     2.783  100.000   84.643
LGA    L   101_B      L   101_C     0.189     0    0.022   0.066     0.287  100.000  100.000
LGA    V   102_B      V   102_C     0.190     0    0.014   0.042     0.372  100.000  100.000
LGA    S   103_B      S   103_C     0.121     0    0.048   0.066     0.166  100.000  100.000
LGA    L   104_B      L   104_C     0.496     0    0.016   0.087     1.003   95.238   91.726
LGA    V   105_B      V   105_C     0.858     0    0.094   1.186     2.709   90.476   82.041
LGA    D   106_B      D   106_C     0.949     0    0.036   0.917     2.669   83.810   76.429
LGA    K   107_B      K   107_C     1.583     0    0.074   1.084     8.017   75.000   55.979
LGA    D   108_B      D   108_C     1.802     0    0.074   0.157     2.205   72.857   69.821
LGA    A   109_B      A   109_C     1.363     0    0.085   0.103     1.533   79.286   79.714
LGA    K   110_B      K   110_C     1.068     0    0.120   1.425     7.798   83.690   61.429
LGA    L   111_B      L   111_C     0.528     0    0.074   1.357     3.300   95.238   82.381
LGA    G   112_B      G   112_C     0.454     0    0.064   0.064     0.709   95.238   95.238
LGA    I   113_B      I   113_C     0.256     0    0.009   0.050     0.418  100.000  100.000
LGA    I   114_B      I   114_C     0.399     0    0.044   0.630     1.898  100.000   94.226
LGA    L   115_B      L   115_C     0.429     0    0.053   0.091     0.900  100.000   95.238
LGA    M   116_B      M   116_C     0.152     0    0.043   1.207     5.186  100.000   84.524
LGA    L   117_B      L   117_C     0.285     0    0.051   0.157     0.539  100.000   98.810
LGA    I   118_B      I   118_C     0.328     0    0.059   0.088     0.444  100.000  100.000
LGA    D   119_B      D   119_C     0.272     0    0.077   0.152     0.617   97.619   97.619
LGA    K   120_B      K   120_C     0.216     0    0.017   0.445     1.982  100.000   95.926
LGA    A   121_B      A   121_C     0.236     0    0.038   0.044     0.316  100.000  100.000
LGA    I   122_B      I   122_C     0.373     0    0.032   0.068     0.570   97.619   98.810
LGA    K   123_B      K   123_C     0.338     0    0.038   0.979     4.826  100.000   84.550
LGA    Q   124_B      Q   124_C     0.279     0    0.016   0.155     0.609  100.000   97.884
LGA    I   125_B      I   125_C     0.345     0    0.023   0.028     0.451  100.000  100.000
LGA    A   126_B      A   126_C     0.432     0    0.045   0.053     0.634   95.238   96.190
LGA    E   127_B      E   127_C     0.519     0    0.027   0.091     1.013   97.619   92.646
LGA    L   128_B      L   128_C     0.391     0    0.051   1.069     2.284   95.238   88.810
LGA    M   129_B      M   129_C     0.573     0    0.051   0.068     0.669   92.857   92.857
LGA    D   130_B      D   130_C     0.616     0    0.620   0.920     4.547   86.071   71.429
LGA    A   131_B      A   131_C     3.900     0    0.229   0.309     6.200   35.952   32.190

# 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):     0.816          0.857                  1.509           93.419   88.269

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    0.82    96.488    98.499    13.207

LGA_LOCAL      RMSD:   0.816  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.816  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   0.816  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.820037 * X  +   0.387736 * Y  +   0.420951 * Z  +  22.087334
  Y_new =  -0.002554 * X  +   0.733043 * Y  +  -0.680177 * Z  +  -3.897368
  Z_new =  -0.572304 * X  +  -0.558846 * Y  +  -0.600133 * Z  +  20.603241 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.138478  0.609313 -2.391803   [DEG: -179.8216   34.9111 -137.0402 ]
ZXZ:  0.554190  2.214463 -2.344297   [DEG:   31.7527  126.8794 -134.3183 ]
 
# END of job
