
#######################################################
#                                                     #
#                        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  112 (  901),  selected  112 , name one
# Molecule2: number of CA atoms  401 ( 3055),  selected  112 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38       9_A - 46_A        4.99    26.49
  LONGEST_CONTINUOUS_SEGMENT:    38      11_A - 48_A        4.96    25.43
  LONGEST_CONTINUOUS_SEGMENT:    38      14_A - 51_A        4.97    25.11
  LONGEST_CONTINUOUS_SEGMENT:    38      24_A - 61_A        4.92    23.65
  LCS_AVERAGE:      8.20

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      67_A - 85_A        1.84    25.41
  LCS_AVERAGE:      3.24

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      69_A - 84_A        0.97    25.31
  LONGEST_CONTINUOUS_SEGMENT:    16      70_A - 85_A        0.94    25.19
  LCS_AVERAGE:      2.54

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  112
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     M     9_A     M     9_A     14   16   38     11   14   15   15   15   17   17   20   22   26   30   34   38   38   43   46   48   50   53   53 
LCS_GDT     S    10_A     S    10_A     14   16   38     11   14   15   15   15   17   17   20   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     E    11_A     E    11_A     14   16   38     11   14   15   15   15   17   18   21   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     A    12_A     A    12_A     14   16   38     11   14   15   15   15   17   17   20   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     E    13_A     E    13_A     14   16   38     11   14   15   15   15   17   17   20   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     F    14_A     F    14_A     14   16   38     11   14   15   15   15   17   18   20   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     R    15_A     R    15_A     14   16   38     11   14   15   15   15   17   18   21   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     A    16_A     A    16_A     14   16   38     11   14   15   15   15   17   17   20   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     L    17_A     L    17_A     14   16   38     11   14   15   15   15   17   18   21   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     L    18_A     L    18_A     14   16   38     11   14   15   15   15   17   18   21   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     Q    19_A     Q    19_A     14   16   38     11   14   15   15   15   17   17   21   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     G    20_A     G    20_A     14   16   38     11   14   15   15   15   17   18   21   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     K    21_A     K    21_A     14   16   38     10   14   15   15   15   17   18   21   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     K    22_A     K    22_A     14   16   38     10   14   15   15   15   17   17   21   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     E    23_A     E    23_A     10   16   38      4    9    9   11   11   15   18   21   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     T    24_A     T    24_A     10   16   38      4    9    9   11   11   14   16   21   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     L    25_A     L    25_A     10   11   38      7    9    9   11   11   17   17   21   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     K    26_A     K    26_A     10   11   38      7    9    9   11   11   14   18   21   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     N    27_A     N    27_A     10   11   38      7    9    9   11   11   14   18   21   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     I    28_A     I    28_A     10   11   38      7    9    9   11   11   14   16   21   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     I    29_A     I    29_A     10   11   38      7    9    9   11   11   16   18   21   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     K    30_A     K    30_A     10   11   38      7    9    9   11   11   14   18   21   24   30   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     E    31_A     E    31_A     10   11   38      7    9    9   11   11   14   16   21   24   29   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     L    32_A     L    32_A     10   11   38      3    4    7   11   11   13   16   21   24   28   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     D    33_A     D    33_A      3   11   38      3    3    4    7    8   10   16   20   24   28   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     E    34_A     E    34_A      9   11   38      3    8    8    9   10   12   16   19   24   28   31   35   38   44   45   48   50   52   53   53 
LCS_GDT     K    35_A     K    35_A      9   11   38      7    8    8    9   10   14   16   19   24   28   31   35   38   44   45   48   50   52   53   54 
LCS_GDT     I    36_A     I    36_A      9   11   38      7    8    8   11   13   15   18   21   24   28   31   35   38   44   45   48   50   52   54   55 
LCS_GDT     K    37_A     K    37_A      9   11   38      7    8    8    9   14   16   20   23   24   28   31   35   38   44   45   48   50   52   54   55 
LCS_GDT     E    38_A     E    38_A      9   11   38      7    8    8    9   10   16   21   23   24   28   31   35   38   44   45   48   50   52   54   55 
LCS_GDT     L    39_A     L    39_A      9   11   38      7    8    8    9   13   17   21   23   24   28   31   35   38   44   45   48   50   52   54   55 
LCS_GDT     L    40_A     L    40_A      9   11   38      7    8    8    9   10   17   21   23   24   28   31   35   38   44   45   48   50   52   54   55 
LCS_GDT     E    41_A     E    41_A      9   11   38      7    8    8    9   10   14   21   23   24   28   31   35   38   44   45   48   50   52   54   55 
LCS_GDT     E    42_A     E    42_A      9   11   38      3    5    8    9   10   14   15   23   24   27   29   33   37   41   45   47   50   52   54   55 
LCS_GDT     H    43_A     H    43_A      5   11   38      3    4    5    9   10   17   21   23   24   27   29   33   38   41   45   47   50   52   54   55 
LCS_GDT     P    44_A     P    44_A      4   11   38      3    4    4    5    9   14   15   19   24   28   32   35   38   44   45   48   50   52   54   55 
LCS_GDT     D    45_A     D    45_A      6    7   38      3    5   15   15   15   17   21   23   24   30   32   35   38   44   45   48   50   52   54   55 
LCS_GDT     L    46_A     L    46_A      6    7   38      3    5    6   15   15   17   21   23   24   30   32   35   38   44   45   48   50   52   54   55 
LCS_GDT     S    47_A     S    47_A      6    7   38      4    5    6    8   14   17   21   23   24   30   32   35   38   44   45   48   50   52   54   55 
LCS_GDT     L    48_A     L    48_A      6    7   38      4    5    6    8   10   14   18   20   24   30   32   35   38   44   45   48   50   52   54   55 
LCS_GDT     E    49_A     E    49_A      6    7   38      4    5    6    8   10   14   18   19   24   30   32   35   38   44   45   48   50   52   54   55 
LCS_GDT     E    50_A     E    50_A      6   13   38      4    5    6    7    9   14   16   19   24   30   32   35   38   44   45   48   50   52   54   55 
LCS_GDT     K    51_A     K    51_A     12   13   38     11   11   11   12   12   14   15   18   24   30   32   35   38   44   45   48   50   52   54   55 
LCS_GDT     L    52_A     L    52_A     12   13   38     11   11   11   12   12   12   15   18   23   26   30   32   38   38   39   44   49   52   54   55 
LCS_GDT     A    53_A     A    53_A     12   13   38     11   11   11   12   12   12   14   14   18   20   26   28   29   34   38   42   43   46   50   54 
LCS_GDT     E    54_A     E    54_A     12   13   38     11   11   11   12   12   12   14   19   24   30   32   35   38   44   45   48   50   52   53   54 
LCS_GDT     L    55_A     L    55_A     12   13   38     11   11   11   15   15   16   18   21   24   30   32   35   38   44   45   48   50   52   53   54 
LCS_GDT     L    56_A     L    56_A     12   13   38     11   11   11   12   12   12   16   19   23   26   28   33   35   39   41   46   49   52   53   54 
LCS_GDT     R    57_A     R    57_A     12   13   38     11   11   11   12   12   12   14   18   23   29   32   35   38   43   45   48   50   52   53   53 
LCS_GDT     F    58_A     F    58_A     12   13   38     11   11   11   12   12   14   18   21   24   29   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     F    59_A     F    59_A     12   13   38     11   11   11   12   12   13   14   18   20   26   29   33   37   43   45   48   50   52   53   53 
LCS_GDT     V    60_A     V    60_A     12   13   38     11   11   11   12   12   12   16   19   23   26   29   33   37   43   45   48   50   52   53   53 
LCS_GDT     E    61_A     E    61_A     12   13   38     11   11   11   12   12   14   18   21   24   29   32   35   38   44   45   48   50   52   53   53 
LCS_GDT     V    62_A     V    62_A     12   13   36      3    4   11   12   12   12   14   14   15   17   24   32   36   40   45   48   50   52   53   53 
LCS_GDT     F    63_A     F    63_A      3   13   32      3    3    5    9    9   11   14   14   17   19   22   27   30   34   38   42   45   47   50   54 
LCS_GDT     S    64_A     S    64_A      3    4   31      3    3    3    7    8    8    9   12   14   20   26   28   31   34   38   42   45   47   50   54 
LCS_GDT     K    65_A     K    65_A      3    6   31      3    3    3    5    7    7   10   14   17   19   22   27   30   34   38   42   43   46   49   54 
LCS_GDT     N    66_A     N    66_A      3    6   31      3    3    3    5    7    7    9   12   17   22   25   28   31   32   34   39   43   46   49   54 
LCS_GDT     F    67_A     F    67_A      5   19   31      3    5    5    8   11   18   19   19   22   23   26   28   31   32   34   37   41   44   49   54 
LCS_GDT     S    68_A     S    68_A      5   19   31      3    6   12   16   17   18   19   19   22   23   26   28   31   32   34   37   38   42   48   49 
LCS_GDT     P    69_A     P    69_A     16   19   31      4    6   12   16   17   18   19   19   22   23   26   27   30   32   34   37   38   42   48   49 
LCS_GDT     E    70_A     E    70_A     16   19   31      4   13   15   16   17   18   19   19   22   23   26   27   31   32   34   37   38   41   43   47 
LCS_GDT     A    71_A     A    71_A     16   19   31      6   13   15   16   17   18   19   19   22   23   26   28   31   32   34   37   38   42   48   49 
LCS_GDT     A    72_A     A    72_A     16   19   31      9   13   15   16   17   18   19   19   22   23   26   28   31   32   34   37   40   43   49   54 
LCS_GDT     V    73_A     V    73_A     16   19   31      9   13   15   16   17   18   19   19   22   23   26   28   31   32   34   37   38   42   48   51 
LCS_GDT     T    74_A     T    74_A     16   19   31      9   13   15   16   17   18   19   19   22   23   26   28   31   32   34   37   38   42   48   51 
LCS_GDT     F    75_A     F    75_A     16   19   31      8   13   15   16   17   18   19   19   22   23   26   28   31   32   38   42   43   46   54   55 
LCS_GDT     Y    76_A     Y    76_A     16   19   31      9   13   15   16   17   18   19   19   22   23   26   28   31   32   35   42   43   47   54   55 
LCS_GDT     Q    77_A     Q    77_A     16   19   31      9   13   15   16   17   18   19   19   22   23   26   28   31   32   34   38   43   47   54   55 
LCS_GDT     N    78_A     N    78_A     16   19   31      9   13   15   16   17   18   19   19   22   23   26   28   31   34   38   42   43   47   54   55 
LCS_GDT     F    79_A     F    79_A     16   19   31      9   13   15   16   17   18   19   19   22   23   26   28   31   34   38   42   43   47   54   55 
LCS_GDT     Y    80_A     Y    80_A     16   19   31      9   13   15   16   17   18   19   19   22   23   26   28   31   32   38   42   43   47   54   55 
LCS_GDT     E    81_A     E    81_A     16   19   31      9   13   15   16   17   18   19   19   22   23   26   28   31   34   38   42   43   47   54   55 
LCS_GDT     L    82_A     L    82_A     16   19   31      9   13   15   16   17   18   19   19   22   23   26   28   31   34   38   42   43   47   54   55 
LCS_GDT     L    83_A     L    83_A     16   19   31      6   13   15   16   17   18   19   19   22   23   26   28   31   32   38   42   43   47   54   55 
LCS_GDT     R    84_A     R    84_A     16   19   31      3    5   15   16   17   18   19   19   22   23   26   28   31   34   38   42   43   47   54   55 
LCS_GDT     T    85_A     T    85_A     16   19   31      3    9   13   16   17   18   19   19   22   23   26   28   31   34   38   42   43   47   54   55 
LCS_GDT     Y    86_A     Y    86_A      4   18   31      3    3    5    5    7    8   10   17   22   23   26   28   31   34   38   42   43   47   54   55 
LCS_GDT     A    87_A     A    87_A      4    5   31      3    3    5    6    8   10   15   19   22   23   26   28   31   34   38   42   43   47   54   55 
LCS_GDT     A    88_A     A    88_A      4    5   31      3    3    5    6    6    8   15   19   22   23   26   28   31   34   38   42   43   47   54   55 
LCS_GDT     V    89_A     V    89_A      4    5   31      3    3    4    5    6    9   15   18   22   23   26   28   31   34   38   42   43   47   54   55 
LCS_GDT     L    90_A     L    90_A      4    5   31      3    3    4    5    6    8    9   13   18   20   25   28   31   34   38   42   43   47   54   55 
LCS_GDT     H    91_A     H    91_A      4    5   31      3    3    4    4    7    7    9   10   13   16   21   26   29   32   35   42   43   47   54   55 
LCS_GDT     G    92_A     G    92_A      4    5   31      3    3    4    4    5    6    8    9   13   15   18   21   25   27   31   38   43   47   54   55 
LCS_GDT     E    93_A     E    93_A      4    5   30      3    3    4    4    5    6    8   11   15   18   22   23   25   27   29   33   41   47   54   55 
LCS_GDT     E    94_A     E    94_A      4    5   23      0    3    4    5    6    6    9   10   12   16   18   20   22   25   28   36   40   47   54   55 
LCS_GDT     A    95_A     A    95_A      5    5   23      4    4    5    5    5    6    8    9   11   16   18   20   21   25   27   31   40   47   54   55 
LCS_GDT     V    96_A     V    96_A      5    5   25      4    4    5    5    5    6    7   12   16   18   21   26   29   31   34   37   43   47   54   55 
LCS_GDT     P    97_A     P    97_A      5    5   25      4    4    5    5    7    7    9   13   17   18   22   26   29   34   38   42   43   47   54   55 
LCS_GDT     P    98_A     P    98_A      5    5   25      4    4    5    5    7    7    9   13   17   18   22   26   29   34   38   42   43   47   54   55 
LCS_GDT     P    99_A     P    99_A      5    5   25      3    4    5    5    6    9   18   21   24   27   27   28   30   34   35   39   41   44   47   53 
LCS_GDT     L   100_A     L   100_A      4   16   25      3    4    5   11   14   17   21   23   24   27   27   28   30   34   38   42   43   47   52   55 
LCS_GDT     V   101_A     V   101_A      4   16   25      3    4    4    5    7   16   21   23   24   27   27   28   30   34   38   42   43   47   54   55 
LCS_GDT     M   102_A     M   102_A     14   16   25      4    9   13   13   14   14   15   17   24   27   27   28   30   34   38   42   43   47   54   55 
LCS_GDT     T   103_A     T   103_A     14   16   25     10   12   13   13   14   17   21   23   24   27   27   28   30   34   38   42   43   47   54   55 
LCS_GDT     P   104_A     P   104_A     14   16   25     10   12   13   13   14   17   21   23   24   27   27   28   30   33   35   42   43   47   54   55 
LCS_GDT     E   105_A     E   105_A     14   16   25     10   12   13   13   14   17   21   23   24   27   27   28   30   33   35   39   43   47   54   55 
LCS_GDT     L   106_A     L   106_A     14   16   25     10   12   13   13   14   17   21   23   24   27   27   28   30   33   36   42   43   47   54   55 
LCS_GDT     A   107_A     A   107_A     14   16   25     10   12   13   13   14   17   21   23   24   27   27   28   30   33   38   42   43   47   54   55 
LCS_GDT     A   108_A     A   108_A     14   16   25     10   12   13   13   14   17   21   23   24   27   27   28   30   33   34   37   42   47   54   55 
LCS_GDT     E   109_A     E   109_A     14   16   25     10   12   13   13   14   17   21   23   24   27   27   28   30   33   34   39   42   47   54   55 
LCS_GDT     I   110_A     I   110_A     14   16   25     10   12   13   13   14   17   21   23   24   27   27   28   30   33   36   40   43   47   54   55 
LCS_GDT     I   111_A     I   111_A     14   16   25     10   12   13   13   14   16   21   23   24   27   27   28   30   33   36   39   42   47   54   55 
LCS_GDT     A   112_A     A   112_A     14   16   25     10   12   13   13   14   17   21   23   24   27   27   28   30   33   36   39   41   47   51   53 
LCS_GDT     L   113_A     L   113_A     14   16   25     10   12   13   13   14   17   21   23   24   27   27   28   31   33   36   39   42   47   54   55 
LCS_GDT     F   114_A     F   114_A     14   16   25     10   12   13   13   14   16   18   21   21   26   27   28   30   33   36   39   42   47   54   55 
LCS_GDT     Q   115_A     Q   115_A     14   16   25      3    3    8   13   14   16   18   18   21   22   24   28   29   33   34   37   42   47   51   53 
LCS_GDT     A   116_A     A   116_A      3   16   25      3    3    3    4    5   14   15   15   18   21   24   26   29   32   34   37   41   43   46   50 
LCS_GDT     A   117_A     A   117_A      3   16   25      3    3    3    4    4   16   18   19   21   24   27   28   30   33   34   37   42   47   51   53 
LCS_GDT     T   118_A     T   118_A      3    4   25      3    3    3    4    4    5    8   16   19   22   24   27   29   32   34   37   42   47   51   53 
LCS_GDT     E   119_A     E   119_A      3    4   25      3    3    3    4    4    4    6    9   20   21   24   27   29   32   34   37   41   43   46   48 
LCS_GDT     S   120_A     S   120_A      3    4   25      3    3    3    4    5    7    7   16   20   20   25   28   30   33   34   37   41   43   46   48 
LCS_AVERAGE  LCS_A:   4.66  (   2.54    3.24    8.20 )

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     11     14     15     16     17     18     21     23     24     30     32     35     38     44     45     48     50     52     54     55 
GDT PERCENT_AT   2.74   3.49   3.74   3.99   4.24   4.49   5.24   5.74   5.99   7.48   7.98   8.73   9.48  10.97  11.22  11.97  12.47  12.97  13.47  13.72
GDT RMS_LOCAL    0.21   0.42   0.69   0.97   1.11   1.30   2.44   2.59   2.69   3.67   3.79   4.03   4.33   4.98   5.03   5.34   5.52   5.69   7.08   7.13
GDT RMS_ALL_AT  22.37  23.50  25.21  25.31  25.36  25.29  23.88  23.76  23.59  25.71  25.63  25.48  25.40  25.17  25.13  24.54  24.60  24.49  26.27  26.18

# Checking swapping
#   possible swapping detected:  F    14_A      F    14_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  E    49_A      E    49_A
#   possible swapping detected:  F    58_A      F    58_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  F    67_A      F    67_A
#   possible swapping detected:  E    81_A      E    81_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  E   109_A      E   109_A
#   possible swapping detected:  F   114_A      F   114_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     9_A      M     9_A    63.772     0    0.069   0.175    64.883    0.000    0.000
LGA    S    10_A      S    10_A    64.901     0    0.089   0.095    66.591    0.000    0.000
LGA    E    11_A      E    11_A    60.220     0    0.050   1.140    62.399    0.000    0.000
LGA    A    12_A      A    12_A    60.881     0    0.026   0.025    63.364    0.000    0.000
LGA    E    13_A      E    13_A    59.245     0    0.029   0.194    63.875    0.000    0.000
LGA    F    14_A      F    14_A    53.590     0    0.026   1.432    56.105    0.000    0.000
LGA    R    15_A      R    15_A    51.530     0    0.033   0.867    60.114    0.000    0.000
LGA    A    16_A      A    16_A    52.300     0    0.032   0.041    54.775    0.000    0.000
LGA    L    17_A      L    17_A    48.907     0    0.024   0.520    50.846    0.000    0.000
LGA    L    18_A      L    18_A    43.377     0    0.037   1.397    45.856    0.000    0.000
LGA    Q    19_A      Q    19_A    43.754     0    0.033   1.408    47.480    0.000    0.000
LGA    G    20_A      G    20_A    44.007     0    0.052   0.052    44.452    0.000    0.000
LGA    K    21_A      K    21_A    38.900     0    0.250   0.762    43.750    0.000    0.000
LGA    K    22_A      K    22_A    35.210     0    0.585   1.129    36.936    0.000    0.000
LGA    E    23_A      E    23_A    34.836     0    0.519   1.176    38.362    0.000    0.000
LGA    T    24_A      T    24_A    30.701     0    0.029   1.092    33.137    0.000    0.000
LGA    L    25_A      L    25_A    28.168     0    0.012   0.355    30.123    0.000    0.000
LGA    K    26_A      K    26_A    28.502     0    0.062   0.194    36.687    0.000    0.000
LGA    N    27_A      N    27_A    26.625     0    0.086   0.159    30.091    0.000    0.000
LGA    I    28_A      I    28_A    22.393     0    0.017   0.135    24.226    0.000    0.000
LGA    I    29_A      I    29_A    21.797     0    0.038   0.093    24.985    0.000    0.000
LGA    K    30_A      K    30_A    22.121     0    0.130   0.843    31.713    0.000    0.000
LGA    E    31_A      E    31_A    19.189     0    0.419   1.316    23.026    0.000    0.000
LGA    L    32_A      L    32_A    14.120     0    0.579   0.569    16.219    0.000    0.000
LGA    D    33_A      D    33_A    10.282     0    0.594   1.585    13.635    0.000    0.000
LGA    E    34_A      E    34_A    10.177     0    0.594   0.951    12.206    1.429    0.635
LGA    K    35_A      K    35_A     7.222     0    0.089   0.825    13.246   16.429    8.413
LGA    I    36_A      I    36_A     5.957     0    0.048   0.152     9.716   27.381   16.845
LGA    K    37_A      K    37_A     3.810     0    0.039   0.153     8.242   51.190   32.169
LGA    E    38_A      E    38_A     3.355     0    0.078   0.502     9.405   57.381   31.323
LGA    L    39_A      L    39_A     0.903     0    0.022   0.139     2.929   77.381   73.214
LGA    L    40_A      L    40_A     2.887     0    0.023   0.179     5.551   56.071   44.167
LGA    E    41_A      E    41_A     3.342     0    0.152   0.926     5.553   46.071   36.984
LGA    E    42_A      E    42_A     3.704     0    0.057   0.636     8.598   46.667   32.646
LGA    H    43_A      H    43_A     2.968     0    0.294   1.161     7.528   50.357   29.667
LGA    P    44_A      P    44_A     5.027     0    0.598   0.458     7.977   34.524   25.238
LGA    D    45_A      D    45_A     2.006     0    0.658   1.005     3.340   64.881   61.190
LGA    L    46_A      L    46_A     2.563     0    0.042   0.231     5.897   64.881   48.393
LGA    S    47_A      S    47_A     2.872     0    0.142   0.554     5.425   44.881   45.952
LGA    L    48_A      L    48_A     7.552     0    0.120   1.379    12.335    7.857    4.286
LGA    E    49_A      E    49_A     9.959     0    0.180   1.360    11.486    0.833    1.429
LGA    E    50_A      E    50_A     9.694     0    0.609   1.302    12.084    0.476    1.111
LGA    K    51_A      K    51_A    11.071     0    0.584   1.126    17.165    0.000    0.000
LGA    L    52_A      L    52_A    10.436     0    0.115   1.005    12.359    0.000    0.000
LGA    A    53_A      A    53_A    16.274     0    0.016   0.014    18.093    0.000    0.000
LGA    E    54_A      E    54_A    16.961     0    0.070   0.994    22.411    0.000    0.000
LGA    L    55_A      L    55_A    12.919     0    0.065   1.376    13.824    0.000    0.417
LGA    L    56_A      L    56_A    14.444     0    0.058   1.280    16.999    0.000    0.000
LGA    R    57_A      R    57_A    20.206     0    0.023   1.193    28.517    0.000    0.000
LGA    F    58_A      F    58_A    19.262     0    0.106   1.504    24.012    0.000    0.000
LGA    F    59_A      F    59_A    15.516     0    0.070   1.396    17.397    0.000    0.087
LGA    V    60_A      V    60_A    19.897     0    0.064   0.073    23.153    0.000    0.000
LGA    E    61_A      E    61_A    24.707     0    0.140   0.996    29.423    0.000    0.000
LGA    V    62_A      V    62_A    23.802     0    0.553   0.793    25.470    0.000    0.000
LGA    F    63_A      F    63_A    20.051     0    0.602   1.165    23.027    0.000    0.000
LGA    S    64_A      S    64_A    21.857     0    0.617   0.781    22.389    0.000    0.000
LGA    K    65_A      K    65_A    23.953     0    0.645   1.369    29.013    0.000    0.000
LGA    N    66_A      N    66_A    26.244     0    0.705   0.625    27.588    0.000    0.000
LGA    F    67_A      F    67_A    27.891     0    0.442   1.547    32.541    0.000    0.000
LGA    S    68_A      S    68_A    26.816     0    0.185   0.522    28.613    0.000    0.000
LGA    P    69_A      P    69_A    21.630     0    0.153   0.202    25.472    0.000    0.000
LGA    E    70_A      E    70_A    23.017     0    0.128   1.197    27.016    0.000    0.000
LGA    A    71_A      A    71_A    20.735     0    0.089   0.097    21.865    0.000    0.000
LGA    A    72_A      A    72_A    15.972     0    0.028   0.031    18.049    0.000    0.000
LGA    V    73_A      V    73_A    16.559     0    0.015   0.120    19.347    0.000    0.000
LGA    T    74_A      T    74_A    16.456     0    0.013   0.127    19.863    0.000    0.000
LGA    F    75_A      F    75_A    11.669     0    0.055   1.196    13.523    0.714    0.260
LGA    Y    76_A      Y    76_A     9.698     0    0.033   1.418    14.235    0.238    0.079
LGA    Q    77_A      Q    77_A    12.682     0    0.016   1.258    16.338    0.000    0.000
LGA    N    78_A      N    78_A     9.401     0    0.046   0.114    13.079    4.643    2.381
LGA    F    79_A      F    79_A     6.546     0    0.074   0.830     8.145    8.810   16.450
LGA    Y    80_A      Y    80_A    10.276     0    0.079   0.437    19.707    0.714    0.238
LGA    E    81_A      E    81_A    11.326     0    0.067   1.258    17.828    0.000    0.000
LGA    L    82_A      L    82_A     8.194     0    0.045   0.141    10.358    2.024    5.655
LGA    L    83_A      L    83_A    12.112     0    0.116   0.146    14.884    0.000    0.000
LGA    R    84_A      R    84_A    15.139     0    0.333   0.914    22.826    0.000    0.000
LGA    T    85_A      T    85_A    15.812     0    0.584   0.611    17.334    0.000    0.000
LGA    Y    86_A      Y    86_A    19.770     0    0.590   1.235    28.762    0.000    0.000
LGA    A    87_A      A    87_A    20.266     0    0.622   0.604    23.567    0.000    0.000
LGA    A    88_A      A    88_A    21.289     0    0.261   0.260    24.916    0.000    0.000
LGA    V    89_A      V    89_A    24.805     0    0.288   1.309    28.129    0.000    0.000
LGA    L    90_A      L    90_A    26.879     0    0.083   0.142    30.039    0.000    0.000
LGA    H    91_A      H    91_A    29.340     0    0.634   0.465    33.857    0.000    0.000
LGA    G    92_A      G    92_A    27.003     0    0.340   0.340    27.404    0.000    0.000
LGA    E    93_A      E    93_A    22.280     0    0.592   1.003    24.185    0.000    0.000
LGA    E    94_A      E    94_A    22.749     0    0.664   0.564    24.571    0.000    0.000
LGA    A    95_A      A    95_A    21.337     0    0.667   0.604    22.952    0.000    0.000
LGA    V    96_A      V    96_A    14.315     0    0.050   0.085    16.871    0.000    0.000
LGA    P    97_A      P    97_A    11.886     0    0.149   0.333    12.214    0.000    0.000
LGA    P    98_A      P    98_A    11.361     0    0.609   0.821    13.504    1.429    0.816
LGA    P    99_A      P    99_A     5.800     0    0.667   0.597     7.764   31.190   25.782
LGA    L   100_A      L   100_A     1.891     0    0.638   1.387     5.052   51.548   56.726
LGA    V   101_A      V   101_A     3.492     0    0.112   0.934     7.984   63.214   42.109
LGA    M   102_A      M   102_A     4.551     0    0.639   1.152    11.433   38.810   21.190
LGA    T   103_A      T   103_A     1.759     0    0.074   1.050     4.473   79.643   65.170
LGA    P   104_A      P   104_A     1.868     0    0.028   0.119     3.001   72.976   66.259
LGA    E   105_A      E   105_A     2.751     0    0.093   1.005     5.118   62.857   50.212
LGA    L   106_A      L   106_A     1.668     0    0.014   0.139     4.023   81.667   65.238
LGA    A   107_A      A   107_A     1.467     0    0.012   0.032     2.193   77.381   76.476
LGA    A   108_A      A   108_A     2.409     0    0.021   0.032     3.137   68.810   65.048
LGA    E   109_A      E   109_A     0.992     0    0.024   0.777     6.595   92.976   62.063
LGA    I   110_A      I   110_A     2.003     0    0.012   0.037     3.778   67.024   58.631
LGA    I   111_A      I   111_A     3.174     0    0.010   0.082     4.248   50.119   48.452
LGA    A   112_A      A   112_A     2.573     0    0.039   0.038     2.611   59.048   60.190
LGA    L   113_A      L   113_A     2.198     0    0.024   0.099     3.803   57.738   63.274
LGA    F   114_A      F   114_A     4.682     0    0.580   1.268    11.946   35.833   16.883
LGA    Q   115_A      Q   115_A     7.300     0    0.571   1.123     9.204    7.381    7.672
LGA    A   116_A      A   116_A     9.284     0    0.543   0.490    10.636    5.833    4.667
LGA    A   117_A      A   117_A     6.201     0    0.634   0.576     7.726   10.357   11.714
LGA    T   118_A      T   118_A    10.183     0    0.730   1.262    13.763    0.714    0.408
LGA    E   119_A      E   119_A    11.449     0    0.657   1.013    20.391    0.714    0.317
LGA    S   120_A      S   120_A     6.255     0    0.083   0.783     9.081    8.929   14.683

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     901    901  100.00               401
SUMMARY(RMSD_GDC):    18.582         18.566                 18.729            4.220    3.499

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  112  401    4.0     23    2.59     6.297     5.409     0.854

LGA_LOCAL      RMSD:   2.593  Number of atoms:   23  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.758  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:  18.582  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.676066 * X  +  -0.126698 * Y  +  -0.725866 * Z  +  30.367756
  Y_new =   0.723665 * X  +  -0.299628 * Y  +  -0.621717 * Z  +  13.179393
  Z_new =  -0.138720 * X  +  -0.945606 * Y  +   0.294256 * Z  +  81.539185 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.322202  0.139168 -1.269112   [DEG:  133.0524    7.9738  -72.7148 ]
ZXZ: -0.862531  1.272120 -2.995933   [DEG:  -49.4194   72.8871 -171.6543 ]
 
# END of job
