
#######################################################
#                                                     #
#                        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       1.15     1.15
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       1.15     1.15
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80      51_C - 130_C       0.96     1.17
  LCS_AVERAGE:     54.53

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     37  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C     37  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C     37  121  121     17   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C     37  121  121     17   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C     37  121  121     17   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C     37  121  121     27   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C     37  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C     37  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C     37  121  121     10   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C     37  121  121      6   25  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C     37  121  121      6   75  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C     37  121  121      5   75  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C     37  121  121     14   75  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C     37  121  121     18   75  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C     37  121  121     14   74  106  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C     37  121  121     32   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C     37  121  121      4   70  102  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C     37  121  121     17   75  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C     37  121  121     20   75  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C     37  121  121     20   79  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C     37  121  121     32   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C     37  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C     37  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C     37  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C     37  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C     37  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C     37  121  121     23   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C     37  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C     37  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C     37  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C     37  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C     37  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C     37  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C     37  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C     37  121  121      8   80  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C     37  121  121      8   70  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C     37  121  121      3    3   57   92  117  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C     60  121  121      4    7   97  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C     63  121  121      3    3    7   14   37  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C     67  121  121      3    4   21  100  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C     80  121  121     22   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C     80  121  121     14   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C     80  121  121     10   77  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C     80  121  121     15   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C     80  121  121     20   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C     80  121  121     27   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C     80  121  121     30   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C     80  121  121     27   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C     80  121  121     28   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C     80  121  121     11   77  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C     80  121  121     13   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C     80  121  121     24   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C     80  121  121     11   64  106  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C     80  121  121     11   74  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C     80  121  121     35   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C     80  121  121      9   74  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C     80  121  121      9   74  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C     80  121  121     25   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C     80  121  121     25   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C     80  121  121     25   78  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C     80  121  121     16   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C     80  121  121     31   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C     80  121  121     25   78  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C     80  121  121     16   73  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C     80  121  121     27   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C     80  121  121     22   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C     80  121  121     12   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C     80  121  121     28   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C     80  121  121     32   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C     80  121  121     19   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C     80  121  121     31   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C     80  121  121      6   32   55  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C     80  121  121     11   78  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C     80  121  121     37   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C     80  121  121     27   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C     80  121  121     22   79  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C     80  121  121     28   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C     80  121  121      9   73  107  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C     80  121  121     28   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C     80  121  121     27   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C     80  121  121     13   77  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C     80  121  121     12   70  106  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C     80  121  121     13   73  106  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C     80  121  121     13   78  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C     80  121  121     13   78  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C     80  121  121     27   78  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C     80  121  121     17   78  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C     80  121  121     31   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C     80  121  121     27   78  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C     80  121  121     13   77  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C     80  121  121     20   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C     80  121  121     13   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C     80  121  121     11   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C     80  121  121     11   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C     80  121  121     13   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C     80  121  121     20   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C     80  121  121      7   78  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C     80  121  121     20   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C     80  121  121     31   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C     80  121  121     16   81  108  117  118  119  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C     25  121  121      0    4    5   10   40  111  121  121  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A:  84.84  (  54.53  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     37     81    108    117    118    119    121    121    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  30.58  66.94  89.26  96.69  97.52  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
GDT RMS_LOCAL    0.33   0.66   0.88   0.99   1.02   1.05   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15
GDT RMS_ALL_AT   1.24   1.18   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15   1.15

# Checking swapping
#   possible swapping detected:  Y    77_B      Y    77_C
#   possible swapping detected:  E    84_B      E    84_C
#   possible swapping detected:  E    86_B      E    86_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     0.762     0    0.159   1.564     5.429   88.214   64.095
LGA    T    12_B      T    12_C     0.858     0    0.038   1.144     3.141   85.952   79.592
LGA    D    13_B      D    13_C     1.175     0    0.019   0.449     1.698   81.429   80.357
LGA    K    14_B      K    14_C     1.065     0    0.043   0.479     1.738   85.952   83.492
LGA    L    15_B      L    15_C     0.923     0    0.030   0.195     1.484   90.476   89.345
LGA    W    16_B      W    16_C     0.914     0    0.052   0.311     1.676   88.214   81.531
LGA    Y    17_B      Y    17_C     0.453     0    0.062   1.279     8.749   97.619   56.587
LGA    I    18_B      I    18_C     0.378     0    0.022   0.086     1.009  100.000   94.107
LGA    L    19_B      L    19_C     0.902     0    0.041   0.840     2.993   85.952   77.619
LGA    Q    20_B      Q    20_C     1.441     0    0.085   1.235     4.193   81.548   67.037
LGA    E    21_B      E    21_C     1.299     0    0.043   0.753     3.551   81.429   69.947
LGA    L    22_B      L    22_C     1.405     0    0.033   0.902     2.335   81.429   80.536
LGA    T    23_B      T    23_C     1.290     0    0.045   0.152     1.290   81.429   81.429
LGA    S    24_B      S    24_C     1.129     0    0.226   0.619     2.078   75.119   77.302
LGA    N    25_B      N    25_C     1.695     0    0.179   0.293     2.691   75.119   69.048
LGA    R    26_B      R    26_C     0.531     0    0.034   1.358     7.999   92.857   62.424
LGA    G    27_B      G    27_C     1.832     0    0.701   0.701     3.583   67.619   67.619
LGA    D    28_B      D    28_C     1.512     0    0.164   0.645     4.184   79.286   63.929
LGA    I    29_B      I    29_C     1.115     0    0.098   1.433     4.185   85.952   72.083
LGA    Q    30_B      Q    30_C     0.994     0    0.099   0.181     3.316   90.476   75.608
LGA    G    31_B      G    31_C     0.407     0    0.039   0.039     0.543   97.619   97.619
LGA    C    32_B      C    32_C     0.704     0    0.098   0.189     1.392   88.214   88.968
LGA    T    33_B      T    33_C     0.496     0    0.032   0.166     0.794   95.238   93.197
LGA    I    34_B      I    34_C     0.383     0    0.034   0.653     2.450  100.000   95.595
LGA    V    35_B      V    35_C     0.337     0    0.039   0.068     0.480  100.000  100.000
LGA    T    36_B      T    36_C     0.450     0    0.051   1.059     2.379   95.238   87.211
LGA    T    37_B      T    37_C     0.810     0    0.081   1.047     3.310   88.214   79.728
LGA    Q    38_B      Q    38_C     0.379     0    0.129   0.447     1.500  100.000   94.868
LGA    G    39_B      G    39_C     0.618     0    0.047   0.047     0.706   90.476   90.476
LGA    L    40_B      L    40_C     0.549     0    0.033   0.103     0.995   95.238   92.857
LGA    P    41_B      P    41_C     0.381     0    0.063   0.146     0.874   95.238   94.558
LGA    I    42_B      I    42_C     0.282     0    0.017   0.083     0.474  100.000  100.000
LGA    T    43_B      T    43_C     0.521     0    0.076   0.180     0.782   92.857   91.837
LGA    S    44_B      S    44_C     0.468     0    0.031   0.587     2.678   95.238   88.095
LGA    L    45_B      L    45_C     1.084     0    0.538   1.248     4.067   68.452   74.167
LGA    L    46_B      L    46_C     1.370     0    0.096   0.890     3.131   71.667   74.881
LGA    A    47_B      A    47_C     3.189     0    0.263   0.337     4.225   65.357   59.714
LGA    D    48_B      D    48_C     2.080     0    0.446   1.361     5.349   61.429   48.810
LGA    D    49_B      D    49_C     3.201     0    0.578   0.971     6.090   65.238   44.643
LGA    A    50_B      A    50_C     2.642     0    0.115   0.108     4.211   62.976   57.810
LGA    N    51_B      N    51_C     0.716     0    0.167   0.948     4.228   88.214   73.214
LGA    V    52_B      V    52_C     0.963     0    0.025   1.192     3.655   85.952   77.347
LGA    S    53_B      S    53_C     1.226     0    0.024   0.057     1.261   81.429   81.429
LGA    L    54_B      L    54_C     1.063     0    0.024   1.415     4.006   81.429   68.333
LGA    I    55_B      I    55_C     0.980     0    0.027   1.287     3.326   90.476   77.083
LGA    S    56_B      S    56_C     0.844     0    0.044   0.710     1.817   90.476   87.540
LGA    A    57_B      A    57_C     0.846     0    0.021   0.039     0.849   90.476   90.476
LGA    M    58_B      M    58_C     0.689     0    0.035   1.173     3.025   90.476   79.048
LGA    S    59_B      S    59_C     0.953     0    0.034   0.697     1.952   90.476   86.032
LGA    A    60_B      A    60_C     0.520     0    0.041   0.056     0.634   90.476   92.381
LGA    A    61_B      A    61_C     0.882     0    0.032   0.050     1.105   85.952   85.048
LGA    I    62_B      I    62_C     1.297     0    0.039   0.083     1.560   79.286   78.214
LGA    I    63_B      I    63_C     0.892     0    0.021   0.182     1.350   88.214   87.083
LGA    S    64_B      S    64_C     0.937     0    0.069   0.685     2.873   85.952   81.905
LGA    V    65_B      V    65_C     1.704     0    0.028   1.193     4.739   75.000   64.762
LGA    A    66_B      A    66_C     1.363     0    0.030   0.029     1.495   85.952   85.048
LGA    E    67_B      E    67_C     0.458     0    0.052   1.003     6.330   92.857   69.577
LGA    S    68_B      S    68_C     1.410     0    0.029   0.695     2.366   81.429   77.222
LGA    A    69_B      A    69_C     1.602     0    0.031   0.043     2.095   79.286   76.381
LGA    S    70_B      S    70_C     0.671     0    0.044   0.604     2.203   95.238   89.365
LGA    Q    71_B      Q    71_C     0.405     0    0.031   1.377     6.403  100.000   70.265
LGA    E    72_B      E    72_C     0.849     0    0.077   0.984     5.962   90.476   63.757
LGA    L    73_B      L    73_C     0.935     0    0.228   0.287     2.910   88.214   75.595
LGA    Q    74_B      Q    74_C     0.901     0    0.055   0.947     5.807   90.476   67.354
LGA    R    75_B      R    75_C     0.424     0    0.290   1.678     4.307   86.429   73.593
LGA    G    76_B      G    76_C     0.910     0    0.108   0.108     1.047   85.952   85.952
LGA    Y    77_B      Y    77_C     1.433     0    0.054   1.328     8.712   83.690   49.286
LGA    L    78_B      L    78_C     0.618     0    0.149   1.129     2.604   90.476   84.286
LGA    Q    79_B      Q    79_C     0.857     0    0.076   1.440     3.793   92.857   80.423
LGA    R    80_B      R    80_C     0.313     0    0.094   1.081     4.893   97.619   74.199
LGA    I    81_B      I    81_C     0.377     0    0.034   1.089     2.701  100.000   84.643
LGA    L    82_B      L    82_C     0.330     0    0.109   1.389     3.885  100.000   83.155
LGA    L    83_B      L    83_C     0.730     0    0.134   0.957     3.974   92.857   79.345
LGA    E    84_B      E    84_C     0.541     0    0.173   0.601     3.255   90.476   72.487
LGA    G    85_B      G    85_C     0.571     0    0.078   0.078     0.676   92.857   92.857
LGA    E    86_B      E    86_C     0.635     0    0.161   0.879     2.222   92.857   84.709
LGA    L    87_B      L    87_C     0.397     0    0.196   0.936     2.223   95.238   85.298
LGA    G    88_B      G    88_C     0.233     0    0.068   0.068     0.344  100.000  100.000
LGA    T    89_B      T    89_C     0.360     0    0.068   0.918     2.226  100.000   91.088
LGA    I    90_B      I    90_C     0.304     0    0.064   1.140     2.808  100.000   84.881
LGA    I    91_B      I    91_C     0.389     0    0.063   1.118     2.844  100.000   86.845
LGA    I    92_B      I    92_C     0.813     0    0.138   0.611     2.272   88.214   85.000
LGA    S    93_B      S    93_C     0.616     0    0.083   0.619     1.952   92.857   89.127
LGA    K    94_B      K    94_C     0.456     0    0.040   1.000     3.376   97.619   85.185
LGA    A    95_B      A    95_C     0.792     0    0.487   0.440     1.763   92.976   88.952
LGA    G    96_B      G    96_C     0.637     0    0.122   0.122     1.193   88.214   88.214
LGA    P    97_B      P    97_C     0.474     0    0.197   0.491     1.703   88.571   90.748
LGA    H    98_B      H    98_C     2.316     0    0.270   0.272     5.570   72.976   48.286
LGA    A    99_B      A    99_C     1.123     0    0.048   0.049     1.484   83.690   83.238
LGA    I   100_B      I   100_C     0.380     0    0.048   0.123     0.804  100.000   97.619
LGA    L   101_B      L   101_C     0.478     0    0.041   0.089     0.656  100.000   97.619
LGA    V   102_B      V   102_C     0.590     0    0.055   0.078     0.784   90.476   90.476
LGA    S   103_B      S   103_C     0.281     0    0.088   0.093     0.685  100.000   98.413
LGA    L   104_B      L   104_C     0.231     0    0.094   0.137     0.557  100.000   97.619
LGA    V   105_B      V   105_C     0.646     0    0.051   1.172     3.163   92.857   82.381
LGA    D   106_B      D   106_C     0.963     0    0.078   0.837     4.444   92.857   70.238
LGA    K   107_B      K   107_C     1.148     0    0.070   0.602     5.159   81.548   66.349
LGA    D   108_B      D   108_C     1.748     0    0.240   0.436     3.992   81.548   65.000
LGA    A   109_B      A   109_C     0.734     0    0.015   0.041     1.039   90.595   90.571
LGA    K   110_B      K   110_C     0.887     0    0.016   1.418     7.001   90.476   66.614
LGA    L   111_B      L   111_C     1.106     0    0.069   0.949     3.621   81.429   72.500
LGA    G   112_B      G   112_C     1.769     0    0.056   0.056     1.851   75.000   75.000
LGA    I   113_B      I   113_C     1.753     0    0.024   0.669     3.846   72.857   69.167
LGA    I   114_B      I   114_C     1.392     0    0.031   0.186     1.859   79.286   77.143
LGA    L   115_B      L   115_C     1.399     0    0.037   1.468     4.452   81.429   66.429
LGA    M   116_B      M   116_C     1.397     0    0.033   1.016     3.026   81.429   75.595
LGA    L   117_B      L   117_C     1.399     0    0.034   1.039     4.958   81.429   69.107
LGA    I   118_B      I   118_C     0.971     0    0.050   0.614     2.116   88.214   85.000
LGA    D   119_B      D   119_C     1.327     0    0.033   0.879     3.668   81.429   68.631
LGA    K   120_B      K   120_C     1.572     0    0.028   1.095     7.448   79.286   54.868
LGA    A   121_B      A   121_C     1.167     0    0.031   0.043     1.237   81.429   81.429
LGA    I   122_B      I   122_C     0.856     0    0.047   1.478     3.884   90.476   75.357
LGA    K   123_B      K   123_C     0.953     0    0.025   1.016     3.338   90.476   72.275
LGA    Q   124_B      Q   124_C     1.016     0    0.028   1.106     5.546   85.952   67.619
LGA    I   125_B      I   125_C     1.053     0    0.038   1.021     2.789   83.690   76.369
LGA    A   126_B      A   126_C     0.865     0    0.022   0.039     1.037   88.214   86.857
LGA    E   127_B      E   127_C     1.281     0    0.037   0.829     4.124   81.429   68.307
LGA    L   128_B      L   128_C     0.682     0    0.086   1.186     3.084   95.238   86.786
LGA    M   129_B      M   129_C     0.443     0    0.191   1.108     4.626   92.976   75.655
LGA    D   130_B      D   130_C     0.956     0    0.578   0.866     3.256   83.810   79.821
LGA    A   131_B      A   131_C     4.121     0    0.445   0.470     6.688   30.476   28.667

# 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):     1.149          1.176                  2.107           87.237   78.681

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    121    1.15    90.909    96.093     9.688

LGA_LOCAL      RMSD:   1.149  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.149  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   1.149  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.320090 * X  +  -0.693254 * Y  +  -0.645710 * Z  +  10.273299
  Y_new =   0.931153 * X  +   0.104578 * Y  +   0.349311 * Z  + -54.529861
  Z_new =  -0.174634 * X  +  -0.713065 * Y  +   0.679000 * Z  +  21.729080 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.239694  0.175534 -0.809864   [DEG:   71.0293   10.0574  -46.4018 ]
ZXZ: -2.066682  0.824396 -2.901414   [DEG: -118.4121   47.2344 -166.2388 ]
 
# END of job
