
#######################################################
#                                                     #
#                        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       1.17     1.17
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121      11_C - 131_C       1.17     1.17
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103      28_C - 130_C       0.98     1.18
  LCS_AVERAGE:     77.34

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     36  121  121     33   91  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    12_B     T    12_C     36  121  121     48   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    13_B     D    13_C     36  121  121     50   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    14_B     K    14_C     36  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    15_B     L    15_C     36  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     W    16_B     W    16_C     36  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    17_B     Y    17_C     36  121  121     58   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    18_B     I    18_C     36  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    19_B     L    19_C     36  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    20_B     Q    20_C     36  121  121     34   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    21_B     E    21_C     36  121  121     32   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    22_B     L    22_C     36  121  121     57   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    23_B     T    23_C     36  121  121     34   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    24_B     S    24_C     36  121  121     34   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    25_B     N    25_C     36  121  121     34   74  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    26_B     R    26_C     36  121  121      3    3    4   20  106  111  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    27_B     G    27_C     81  121  121      4   26   82  110  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    28_B     D    28_C    103  121  121     38   87  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    29_B     I    29_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    30_B     Q    30_C    103  121  121     55   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    31_B     G    31_C    103  121  121     58   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     C    32_B     C    32_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    33_B     T    33_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    34_B     I    34_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    35_B     V    35_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    36_B     T    36_C    103  121  121     58   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    37_B     T    37_C    103  121  121     33   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    38_B     Q    38_C    103  121  121     49   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    39_B     G    39_C    103  121  121     58   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    40_B     L    40_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    41_B     P    41_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    42_B     I    42_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    43_B     T    43_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    44_B     S    44_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    45_B     L    45_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    46_B     L    46_C    103  121  121     23   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    47_B     A    47_C    103  121  121      4   39  101  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    48_B     D    48_C    103  121  121      4    7   59  101  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D    49_B     D    49_C    103  121  121      4   13   63  101  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    50_B     A    50_C    103  121  121      4   53  101  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     N    51_B     N    51_C    103  121  121     35   93  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    52_B     V    52_C    103  121  121     38   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    53_B     S    53_C    103  121  121     37   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    54_B     L    54_C    103  121  121     35   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    55_B     I    55_C    103  121  121     44   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    56_B     S    56_C    103  121  121     52   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    57_B     A    57_C    103  121  121     39   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M    58_B     M    58_C    103  121  121     52   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    59_B     S    59_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    60_B     A    60_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    61_B     A    61_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    62_B     I    62_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    63_B     I    63_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    64_B     S    64_C    103  121  121     58   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V    65_B     V    65_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    66_B     A    66_C    103  121  121     55   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    67_B     E    67_C    103  121  121     51   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    68_B     S    68_C    103  121  121     35   94  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    69_B     A    69_C    103  121  121     31   91  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    70_B     S    70_C    103  121  121     24   74  107  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    71_B     Q    71_C    103  121  121     11   65  106  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    72_B     E    72_C    103  121  121     11   74  107  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    73_B     L    73_C    103  121  121     14   62  106  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    74_B     Q    74_C    103  121  121      7   37   82  111  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    75_B     R    75_C    103  121  121     11   37   86  113  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    76_B     G    76_C    103  121  121     35   91  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Y    77_B     Y    77_C    103  121  121     51   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    78_B     L    78_C    103  121  121     58   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q    79_B     Q    79_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     R    80_B     R    80_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    81_B     I    81_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    82_B     L    82_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    83_B     L    83_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    84_B     E    84_C    103  121  121     24   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    85_B     G    85_C    103  121  121     14   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E    86_B     E    86_C    103  121  121     33   89  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L    87_B     L    87_C    103  121  121     23   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    88_B     G    88_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     T    89_B     T    89_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    90_B     I    90_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    91_B     I    91_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I    92_B     I    92_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S    93_B     S    93_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K    94_B     K    94_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    95_B     A    95_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G    96_B     G    96_C    103  121  121     37   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     P    97_B     P    97_C    103  121  121     43   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     H    98_B     H    98_C    103  121  121     38   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A    99_B     A    99_C    103  121  121     38   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   100_B     I   100_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   101_B     L   101_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   102_B     V   102_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     S   103_B     S   103_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   104_B     L   104_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     V   105_B     V   105_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   106_B     D   106_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   107_B     K   107_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   108_B     D   108_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   109_B     A   109_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   110_B     K   110_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   111_B     L   111_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     G   112_B     G   112_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   113_B     I   113_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   114_B     I   114_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   115_B     L   115_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   116_B     M   116_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   117_B     L   117_C    103  121  121     32   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   118_B     I   118_C    103  121  121     58   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   119_B     D   119_C    103  121  121     58   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   120_B     K   120_C    103  121  121     58   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   121_B     A   121_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   122_B     I   122_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     K   123_B     K   123_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     Q   124_B     Q   124_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     I   125_B     I   125_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   126_B     A   126_C    103  121  121     47   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     E   127_B     E   127_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     L   128_B     L   128_C    103  121  121     59   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     M   129_B     M   129_C    103  121  121     34   95  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     D   130_B     D   130_C    103  121  121     32   84  108  114  118  119  120  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_GDT     A   131_B     A   131_C     57  121  121      3   11   15   27   45   95  102  120  121  121  121  121  121  121  121  121  121  121  121  121 
LCS_AVERAGE  LCS_A:  92.45  (  77.34  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     59     95    108    114    118    119    120    120    121    121    121    121    121    121    121    121    121    121    121    121 
GDT PERCENT_AT  48.76  78.51  89.26  94.21  97.52  98.35  99.17  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
GDT RMS_LOCAL    0.35   0.54   0.68   0.83   0.99   1.03   1.08   1.08   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17
GDT RMS_ALL_AT   1.26   1.25   1.23   1.19   1.17   1.18   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17   1.17

# Checking swapping
#   possible swapping detected:  Y    17_B      Y    17_C
#   possible swapping detected:  E    21_B      E    21_C
#   possible swapping detected:  E    84_B      E    84_C
#   possible swapping detected:  E    86_B      E    86_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    11_B      H    11_C     1.453     0    0.138   1.543     6.457   81.548   57.286
LGA    T    12_B      T    12_C     1.148     0    0.022   1.172     3.912   85.952   77.347
LGA    D    13_B      D    13_C     0.999     0    0.020   1.149     4.427   88.214   72.321
LGA    K    14_B      K    14_C     0.444     0    0.014   0.639     3.861   97.619   85.714
LGA    L    15_B      L    15_C     0.239     0    0.038   0.136     0.938  100.000   96.429
LGA    W    16_B      W    16_C     0.671     0    0.078   0.119     1.529   92.857   84.762
LGA    Y    17_B      Y    17_C     0.678     0    0.040   0.137     0.915   90.476   90.476
LGA    I    18_B      I    18_C     0.514     0    0.011   0.072     0.559   92.857   96.429
LGA    L    19_B      L    19_C     0.521     0    0.012   0.117     0.830   92.857   92.857
LGA    Q    20_B      Q    20_C     1.106     0    0.020   1.260     5.020   83.690   67.460
LGA    E    21_B      E    21_C     1.164     0    0.038   0.800     1.844   81.429   81.481
LGA    L    22_B      L    22_C     0.772     0    0.010   0.041     0.843   90.476   90.476
LGA    T    23_B      T    23_C     0.903     0    0.038   1.013     2.525   88.214   80.748
LGA    S    24_B      S    24_C     1.475     0    0.066   0.091     1.796   77.143   78.571
LGA    N    25_B      N    25_C     1.586     0    0.615   0.757     3.770   67.262   63.393
LGA    R    26_B      R    26_C     3.719     0    0.305   1.110    11.086   45.952   18.442
LGA    G    27_B      G    27_C     3.022     0    0.427   0.427     3.189   61.548   61.548
LGA    D    28_B      D    28_C     1.178     0    0.117   0.125     1.579   83.810   87.143
LGA    I    29_B      I    29_C     0.454     0    0.069   0.106     0.600   92.857   96.429
LGA    Q    30_B      Q    30_C     0.630     0    0.018   0.141     1.349   90.476   89.471
LGA    G    31_B      G    31_C     0.478     0    0.018   0.018     0.537   97.619   97.619
LGA    C    32_B      C    32_C     0.223     0    0.049   0.789     2.385   97.619   92.540
LGA    T    33_B      T    33_C     0.528     0    0.050   0.061     0.575   92.857   93.197
LGA    I    34_B      I    34_C     0.520     0    0.008   0.073     0.775   92.857   91.667
LGA    V    35_B      V    35_C     0.402     0    0.039   0.049     0.911   95.238   97.279
LGA    T    36_B      T    36_C     0.703     0    0.020   0.068     1.029   92.857   91.905
LGA    T    37_B      T    37_C     0.989     0    0.024   0.054     1.461   90.476   86.599
LGA    Q    38_B      Q    38_C     0.752     0    0.031   1.028     4.074   95.238   81.746
LGA    G    39_B      G    39_C     0.197     0    0.146   0.146     0.775   97.619   97.619
LGA    L    40_B      L    40_C     0.637     0    0.064   1.408     4.244   92.857   78.571
LGA    P    41_B      P    41_C     0.684     0    0.054   0.317     1.190   90.476   89.184
LGA    I    42_B      I    42_C     0.560     0    0.024   0.048     0.602   90.476   91.667
LGA    T    43_B      T    43_C     0.594     0    0.063   0.068     0.763   90.476   90.476
LGA    S    44_B      S    44_C     0.569     0    0.061   0.078     1.109   92.857   90.556
LGA    L    45_B      L    45_C     0.572     0    0.032   0.763     2.879   97.619   83.512
LGA    L    46_B      L    46_C     0.840     0    0.050   0.111     1.182   85.952   87.083
LGA    A    47_B      A    47_C     2.097     0    0.025   0.027     2.634   68.810   66.476
LGA    D    48_B      D    48_C     3.103     0    0.048   0.160     4.438   51.786   46.012
LGA    D    49_B      D    49_C     3.171     0    0.153   0.964     4.027   48.333   48.452
LGA    A    50_B      A    50_C     2.091     0    0.176   0.220     2.731   64.881   64.857
LGA    N    51_B      N    51_C     1.003     0    0.074   0.619     2.963   85.952   82.917
LGA    V    52_B      V    52_C     0.629     0    0.027   0.221     1.184   92.857   90.544
LGA    S    53_B      S    53_C     0.731     0    0.009   0.654     1.805   90.476   87.540
LGA    L    54_B      L    54_C     0.954     0    0.012   1.402     3.645   90.476   78.036
LGA    I    55_B      I    55_C     0.678     0    0.019   0.664     2.558   90.476   86.310
LGA    S    56_B      S    56_C     0.476     0    0.011   0.045     0.574   97.619   95.238
LGA    A    57_B      A    57_C     0.669     0    0.014   0.021     0.960   90.476   90.476
LGA    M    58_B      M    58_C     0.592     0    0.028   1.245     5.374   95.238   78.929
LGA    S    59_B      S    59_C     0.295     0    0.009   0.030     0.348  100.000  100.000
LGA    A    60_B      A    60_C     0.203     0    0.012   0.016     0.246  100.000  100.000
LGA    A    61_B      A    61_C     0.343     0    0.006   0.010     0.444  100.000  100.000
LGA    I    62_B      I    62_C     0.377     0    0.027   0.119     0.579  100.000   98.810
LGA    I    63_B      I    63_C     0.442     0    0.026   0.163     1.285  100.000   94.107
LGA    S    64_B      S    64_C     0.303     0    0.060   0.088     0.549  100.000   98.413
LGA    V    65_B      V    65_C     0.231     0    0.038   0.045     0.593  100.000   98.639
LGA    A    66_B      A    66_C     0.296     0    0.018   0.030     0.538   97.619   98.095
LGA    E    67_B      E    67_C     0.380     0    0.012   0.400     1.490   95.238   91.640
LGA    S    68_B      S    68_C     0.790     0    0.023   0.722     3.118   88.214   82.222
LGA    A    69_B      A    69_C     0.963     0    0.005   0.014     1.343   85.952   86.857
LGA    S    70_B      S    70_C     1.498     0    0.031   0.710     1.944   77.143   77.143
LGA    Q    71_B      Q    71_C     1.831     0    0.020   1.044     3.205   70.833   68.519
LGA    E    72_B      E    72_C     1.628     0    0.031   0.914     4.525   70.833   62.751
LGA    L    73_B      L    73_C     1.961     0    0.076   0.302     2.824   66.905   73.155
LGA    Q    74_B      Q    74_C     2.830     0    0.091   0.815     7.279   59.048   41.587
LGA    R    75_B      R    75_C     2.585     0    0.675   1.378     5.357   50.714   47.056
LGA    G    76_B      G    76_C     1.036     0    0.061   0.061     1.076   85.952   85.952
LGA    Y    77_B      Y    77_C     0.388     0    0.055   1.454     9.832   97.619   55.516
LGA    L    78_B      L    78_C     0.185     0    0.109   0.220     0.853   97.619   98.810
LGA    Q    79_B      Q    79_C     0.160     0    0.011   0.110     0.358  100.000  100.000
LGA    R    80_B      R    80_C     0.416     0    0.075   1.046     3.157  100.000   86.970
LGA    I    81_B      I    81_C     0.288     0    0.051   0.171     0.916  100.000   97.619
LGA    L    82_B      L    82_C     0.207     0    0.020   0.867     3.059  100.000   85.000
LGA    L    83_B      L    83_C     0.229     0    0.101   0.878     2.649  100.000   91.250
LGA    E    84_B      E    84_C     1.227     0    0.177   0.875     2.738   81.429   74.974
LGA    G    85_B      G    85_C     1.206     0    0.094   0.094     1.251   81.429   81.429
LGA    E    86_B      E    86_C     1.802     0    0.073   0.695     2.234   75.000   73.862
LGA    L    87_B      L    87_C     1.408     0    0.082   0.103     2.558   83.690   75.298
LGA    G    88_B      G    88_C     0.481     0    0.079   0.079     0.774   97.619   97.619
LGA    T    89_B      T    89_C     0.288     0    0.032   0.058     0.390  100.000  100.000
LGA    I    90_B      I    90_C     0.318     0    0.025   0.129     1.635  100.000   91.905
LGA    I    91_B      I    91_C     0.227     0    0.008   0.075     0.485  100.000  100.000
LGA    I    92_B      I    92_C     0.463     0    0.055   0.084     0.679   97.619   97.619
LGA    S    93_B      S    93_C     0.434     0    0.030   0.153     1.126   95.238   92.143
LGA    K    94_B      K    94_C     0.509     0    0.037   0.640     3.141   95.238   76.984
LGA    A    95_B      A    95_C     0.116     0    0.518   0.479     2.391   88.810   89.143
LGA    G    96_B      G    96_C     0.684     0    0.019   0.019     1.060   88.214   88.214
LGA    P    97_B      P    97_C     0.554     0    0.080   0.368     0.893   92.857   93.197
LGA    H    98_B      H    98_C     1.141     0    0.097   1.145     4.271   88.214   76.048
LGA    A    99_B      A    99_C     0.880     0    0.060   0.061     0.953   92.857   92.381
LGA    I   100_B      I   100_C     0.462     0    0.060   1.173     2.633   97.619   83.690
LGA    L   101_B      L   101_C     0.470     0    0.018   0.062     0.647  100.000   97.619
LGA    V   102_B      V   102_C     0.476     0    0.017   0.059     0.574  100.000   97.279
LGA    S   103_B      S   103_C     0.196     0    0.042   0.696     2.372  100.000   94.127
LGA    L   104_B      L   104_C     0.320     0    0.015   1.050     2.517  100.000   90.238
LGA    V   105_B      V   105_C     0.431     0    0.016   0.117     0.586   95.238   95.918
LGA    D   106_B      D   106_C     0.719     0    0.055   0.904     2.835   90.476   80.893
LGA    K   107_B      K   107_C     0.688     0    0.088   1.099     7.835   90.476   63.439
LGA    D   108_B      D   108_C     1.037     0    0.025   0.044     1.529   85.952   82.619
LGA    A   109_B      A   109_C     0.378     0    0.092   0.125     0.556   97.619   98.095
LGA    K   110_B      K   110_C     0.729     0    0.161   1.445     9.070   90.476   60.582
LGA    L   111_B      L   111_C     0.873     0    0.056   1.403     2.933   90.476   81.012
LGA    G   112_B      G   112_C     0.795     0    0.081   0.081     0.815   90.476   90.476
LGA    I   113_B      I   113_C     0.905     0    0.026   0.089     1.111   90.476   88.214
LGA    I   114_B      I   114_C     0.651     0    0.023   0.108     0.837   90.476   91.667
LGA    L   115_B      L   115_C     0.574     0    0.033   0.065     0.763   90.476   90.476
LGA    M   116_B      M   116_C     0.830     0    0.036   1.129     4.680   90.476   73.988
LGA    L   117_B      L   117_C     1.022     0    0.026   0.136     1.508   88.214   83.750
LGA    I   118_B      I   118_C     0.789     0    0.060   0.094     0.898   90.476   91.667
LGA    D   119_B      D   119_C     0.812     0    0.064   0.893     2.941   90.476   81.905
LGA    K   120_B      K   120_C     0.833     0    0.020   0.881     4.871   90.476   69.947
LGA    A   121_B      A   121_C     0.413     0    0.025   0.025     0.613   97.619   98.095
LGA    I   122_B      I   122_C     0.523     0    0.052   1.541     3.253   92.857   80.238
LGA    K   123_B      K   123_C     0.760     0    0.008   0.814     4.373   90.476   75.556
LGA    Q   124_B      Q   124_C     0.671     0    0.010   0.232     1.449   90.476   89.471
LGA    I   125_B      I   125_C     0.523     0    0.014   0.043     0.720   90.476   94.048
LGA    A   126_B      A   126_C     0.917     0    0.006   0.014     1.087   90.476   88.667
LGA    E   127_B      E   127_C     0.813     0    0.014   0.175     1.204   90.476   89.471
LGA    L   128_B      L   128_C     0.610     0    0.033   1.066     2.560   90.476   84.286
LGA    M   129_B      M   129_C     1.145     0    0.127   0.711     4.240   81.548   71.190
LGA    D   130_B      D   130_C     1.608     0    0.637   0.898     3.125   72.976   69.107
LGA    A   131_B      A   131_C     5.216     0    0.365   0.389     7.983   20.119   18.095

# 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):     1.170          1.245                  1.964           88.479   83.409

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  131  121    4.0    120    1.08    92.975    96.741    10.184

LGA_LOCAL      RMSD:   1.078  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.174  Number of assigned atoms:  121 
Std_ASGN_ATOMS RMSD:   1.170  Standard rmsd on all 121 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.341401 * X  +   0.135804 * Y  +   0.930055 * Z  +  25.445490
  Y_new =  -0.414036 * X  +  -0.910060 * Y  +  -0.019099 * Z  +   7.581310
  Z_new =   0.843812 * X  +  -0.391596 * Y  +   0.366923 * Z  +  65.746208 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.260340 -1.004348 -0.817914   [DEG: -129.5080  -57.5449  -46.8630 ]
ZXZ:  1.550264  1.195097  2.005297   [DEG:   88.8236   68.4740  114.8951 ]
 
# END of job
