
#######################################################
#                                                     #
#                        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  124 ( 1034),  selected  104 , name one
# Molecule2: number of CA atoms  104 (  843),  selected  104 , 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:    57      23_A - 79_A        5.00    27.61
  LCS_AVERAGE:     43.74

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      57_A - 86_A        1.51    28.28
  LCS_AVERAGE:     17.95

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      59_A - 85_A        0.85    28.53
  LCS_AVERAGE:     12.89

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     K    17_A     K    17_A      3    3   14      0    4    4    4    5    5    5    6    9   11   12   15   17   19   20   24   25   29   31   32 
LCS_GDT     E    18_A     E    18_A      3    3   14      0    4    4    4    5    5    5    8    9    9   10   15   17   19   20   24   25   35   37   38 
LCS_GDT     E    19_A     E    19_A      3    8   14      3    4    4    4    8    8    9    9   10   11   11   15   17   19   20   24   30   35   37   38 
LCS_GDT     M    20_A     M    20_A      7    8   18      3    6    7    7    8    8    9    9   10   11   12   15   17   19   20   24   25   34   37   45 
LCS_GDT     N    21_A     N    21_A      7    8   44      4    6    7    7    8    8    9    9   10   11   13   20   26   33   35   44   46   47   49   53 
LCS_GDT     K    22_A     K    22_A      7    8   56      4    6    7    7    9   12   16   20   27   31   37   42   45   50   54   58   61   62   63   64 
LCS_GDT     V    23_A     V    23_A      7    8   57      4    6    9   10   14   21   29   34   35   39   43   46   50   53   58   59   61   62   63   64 
LCS_GDT     H    24_A     H    24_A      7   18   57      3    6    7    9   13   21   29   34   35   41   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     N    25_A     N    25_A     14   18   57      6   18   21   24   27   30   31   34   35   41   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     I    26_A     I    26_A     14   18   57      7   18   21   24   27   30   31   34   36   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     K    27_A     K    27_A     14   18   57      7   18   21   24   27   30   31   34   35   41   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     C    28_A     C    28_A     14   18   57      7   18   21   24   27   30   31   34   35   41   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     H    29_A     H    29_A     14   18   57      4   13   21   24   27   30   31   34   35   40   43   46   49   54   58   59   61   62   63   64 
LCS_GDT     F    30_A     F    30_A     14   18   57      7   18   21   24   27   30   31   34   35   41   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     D    31_A     D    31_A     14   18   57      5   18   21   24   27   30   31   34   35   41   43   46   49   54   58   59   61   62   63   64 
LCS_GDT     N    32_A     N    32_A     14   18   57      5   13   21   24   27   30   31   34   35   38   42   46   49   50   53   55   58   60   63   64 
LCS_GDT     C    33_A     C    33_A     14   18   57      7   18   21   24   27   30   31   34   35   41   43   46   49   54   58   59   61   62   63   64 
LCS_GDT     N    34_A     N    34_A     14   18   57      6   18   21   24   27   30   31   34   35   41   43   46   49   53   58   59   61   62   63   64 
LCS_GDT     R    35_A     R    35_A     14   18   57      6   18   21   24   27   30   31   34   35   41   43   48   50   54   58   59   61   62   63   64 
LCS_GDT     K    36_A     K    36_A     14   18   57      5   18   21   24   27   30   31   34   35   41   44   48   50   54   58   59   61   62   63   64 
LCS_GDT     I    37_A     I    37_A     14   18   57      7   18   21   24   27   30   31   34   36   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     H    38_A     H    38_A     14   18   57      6   18   21   24   27   30   31   34   36   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     W    39_A     W    39_A      9   18   57      3    5    8   24   27   30   31   34   39   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     K    40_A     K    40_A      9   18   57      7   18   21   24   27   30   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     I    41_A     I    41_A      9   18   57      4   15   21   24   27   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     R    42_A     R    42_A      5   18   57      4    6   10   12   19   24   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     Y    43_A     Y    43_A      5    7   57      4    5   10   12   19   23   27   34   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     G    44_A     G    44_A      5   18   57      4    5    6    7   17   21   24   28   35   38   45   47   50   53   58   59   61   62   63   64 
LCS_GDT     K    45_A     K    45_A      8   18   57      3    5   10   10   11   18   26   34   35   37   43   47   48   50   56   59   61   62   63   64 
LCS_GDT     L    46_A     L    46_A     10   18   57      7    8   10   23   27   30   31   34   35   42   45   47   50   53   58   59   61   62   63   64 
LCS_GDT     R    47_A     R    47_A     10   18   57      7   17   21   24   27   30   31   34   38   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     L    48_A     L    48_A     10   18   57      7    8   17   24   27   30   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     V    49_A     V    49_A     10   18   57      7    8   17   24   27   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     D    50_A     D    50_A     10   18   57      7   14   21   24   27   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     H    51_A     H    51_A     10   18   57      7   18   21   24   27   30   32   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     A    52_A     A    52_A     10   18   57      7   18   21   24   27   30   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     L    53_A     L    53_A     10   18   57      7   18   21   24   27   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     S    54_A     S    54_A     10   18   57      7   18   21   24   27   30   31   34   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     H    55_A     H    55_A     10   18   57      7   18   21   24   27   30   31   34   39   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     Q    56_A     Q    56_A     10   18   57      3   13   21   23   27   30   31   34   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     E    57_A     E    57_A      6   30   57      3    5   11   23   27   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     E    58_A     E    58_A      6   30   57      3    5   16   26   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     K    59_A     K    59_A     27   30   57      3   19   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     S    60_A     S    60_A     27   30   57      3   17   26   27   28   30   32   36   40   42   45   47   50   54   58   59   61   62   63   64 
LCS_GDT     I    61_A     I    61_A     27   30   57      7   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     D    62_A     D    62_A     27   30   57      4   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     C    63_A     C    63_A     27   30   57      5   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     Q    64_A     Q    64_A     27   30   57     13   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     K    65_A     K    65_A     27   30   57      8   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     C    66_A     C    66_A     27   30   57      3   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     E    67_A     E    67_A     27   30   57      7   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     Y    68_A     Y    68_A     27   30   57     13   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     S    69_A     S    69_A     27   30   57     13   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     C    70_A     C    70_A     27   30   57      3   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     Q    71_A     Q    71_A     27   30   57      8   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     T    72_A     T    72_A     27   30   57     13   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     T    73_A     T    73_A     27   30   57     13   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     R    74_A     R    74_A     27   30   57     13   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     Q    75_A     Q    75_A     27   30   57     13   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     M    76_A     M    76_A     27   30   57     13   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     R    77_A     R    77_A     27   30   57     13   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     Y    78_A     Y    78_A     27   30   57     13   22   26   27   28   31   33   36   40   42   45   47   50   54   58   59   61   62   63   64 
LCS_GDT     H    79_A     H    79_A     27   30   57     13   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     Y    80_A     Y    80_A     27   30   53     13   22   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     K    81_A     K    81_A     27   30   53     10   22   26   27   28   31   33   36   40   42   45   47   49   52   54   59   61   62   63   64 
LCS_GDT     K    82_A     K    82_A     27   30   53      9   22   26   27   28   31   33   36   40   42   45   47   50   52   55   59   61   62   63   64 
LCS_GDT     I    83_A     I    83_A     27   30   53      9   17   26   27   28   31   33   36   40   42   45   48   50   54   58   59   61   62   63   64 
LCS_GDT     H    84_A     H    84_A     27   30   53     13   22   26   27   28   31   33   36   40   42   45   47   50   54   58   59   61   62   63   64 
LCS_GDT     A    85_A     A    85_A     27   30   53      9   21   26   27   28   30   32   36   39   42   44   47   49   51   53   56   58   62   63   64 
LCS_GDT     N    86_A     N    86_A      5   30   53      3    8   19   27   28   29   31   34   37   41   42   45   49   52   54   58   60   62   63   64 
LCS_GDT     L    87_A     L    87_A      5    9   53      4    5    6    8    8    9   14   20   24   29   32   34   39   41   49   53   59   60   63   64 
LCS_GDT     K    88_A     K    88_A      5    9   52      4    5    6    8    8    9   10   10   11   12   12   17   24   30   31   32   35   39   44   47 
LCS_GDT     M    89_A     M    89_A      5    9   35      4    5    6    8    8    9   10   10   11   12   12   14   15   16   17   17   18   19   19   20 
LCS_GDT     E    90_A     E    90_A      5    9   16      4    5    6    8    8    9   10   10   11   12   12   14   15   16   17   17   18   20   22   24 
LCS_GDT     G    91_A     G    91_A      3    9   20      3    3    6    8    8    9   10   10   11   12   12   14   15   16   17   17   19   20   23   27 
LCS_GDT     F    92_A     F    92_A      3    9   27      3    5    6    8    8    9   10   10   11   13   16   16   17   24   26   26   27   27   27   27 
LCS_GDT     G    93_A     G    93_A      4    9   27      3    4    6    8    8    9   12   15   19   20   22   23   24   25   26   26   27   27   27   27 
LCS_GDT     I    94_A     I    94_A      4    9   27      3    4    4    5    7    9   10   10   15   20   22   23   24   25   26   26   27   27   27   27 
LCS_GDT     L    95_A     L    95_A      4    6   27      3    4    4    5    6    6    8    9   11   15   17   22   23   24   25   26   27   27   27   27 
LCS_GDT     N    96_A     N    96_A      4    6   27      3    4    4    5    7    8   12   13   18   20   22   23   24   25   26   26   27   27   27   27 
LCS_GDT     I    97_A     I    97_A      4    6   27      3    4    4    5    8   12   18   19   19   20   22   23   24   25   26   26   27   27   27   27 
LCS_GDT     P    98_A     P    98_A      4   17   27      3    4    6   11   15   17   18   19   19   20   22   23   24   25   26   26   27   27   27   27 
LCS_GDT     L    99_A     L    99_A      4   17   27      3    4    4   12   15   17   18   19   19   20   22   23   24   25   26   26   27   27   27   27 
LCS_GDT     Q   100_A     Q   100_A      4   17   27      3    3    4    7    9   15   16   19   19   20   22   23   24   25   26   26   27   27   27   27 
LCS_GDT     N   101_A     N   101_A     13   17   27     10   12   12   13   15   17   18   19   19   20   22   23   24   25   26   26   27   27   29   29 
LCS_GDT     T   102_A     T   102_A     13   17   27     10   12   12   13   15   17   18   19   19   20   22   23   24   25   26   26   27   27   29   29 
LCS_GDT     K   103_A     K   103_A     13   17   27     10   12   12   13   15   17   18   19   19   20   22   23   24   25   26   26   27   27   29   29 
LCS_GDT     F   104_A     F   104_A     13   17   27     10   12   12   13   14   17   18   19   19   20   22   23   24   25   26   26   27   27   29   29 
LCS_GDT     S   105_A     S   105_A     13   17   27     10   12   12   13   15   17   18   19   19   20   22   23   24   25   26   26   27   27   29   29 
LCS_GDT     D   106_A     D   106_A     13   17   27     10   12   12   13   15   17   18   19   19   20   22   23   24   25   26   26   27   27   29   29 
LCS_GDT     V   107_A     V   107_A     13   17   27     10   12   12   13   15   17   18   19   19   20   22   23   24   25   26   26   27   27   29   29 
LCS_GDT     W   108_A     W   108_A     13   17   27     10   12   12   13   15   17   18   19   19   20   22   23   24   25   26   26   27   27   29   29 
LCS_GDT     N   109_A     N   109_A     13   17   27     10   12   12   13   15   17   18   19   19   20   22   23   24   25   26   26   27   27   29   29 
LCS_GDT     K   110_A     K   110_A     13   17   27     10   12   12   13   15   17   18   19   19   20   22   23   24   25   26   26   27   27   29   29 
LCS_GDT     C   111_A     C   111_A     13   17   27      6   12   12   13   15   17   18   19   19   20   22   23   24   25   26   26   27   27   29   29 
LCS_GDT     F   112_A     F   112_A     13   17   27      5   12   12   13   15   17   18   19   19   20   22   23   24   25   26   26   27   27   29   29 
LCS_GDT     G   113_A     G   113_A     13   17   27      3    5    6   13   15   17   18   19   19   20   22   23   24   25   26   26   27   27   29   29 
LCS_GDT     D   114_A     D   114_A      3   17   27      3    3    7   12   15   17   18   19   19   20   22   23   24   25   26   26   27   27   29   29 
LCS_GDT     Q   115_A     Q   115_A      3   17   27      3    3    3   12   14   17   18   19   19   20   22   23   24   25   26   26   27   27   29   29 
LCS_GDT     L   116_A     L   116_A      3    4   27      3    3    3    3    4    5    5    9   14   18   19   22   24   25   26   26   27   27   29   29 
LCS_GDT     K   117_A     K   117_A      3    4   27      3    3    3    4   13   15   15   17   19   20   22   23   24   25   26   26   27   27   29   29 
LCS_GDT     T   118_A     T   118_A      3    3   27      3    3    3    3    3    5    5   11   16   18   18   21   24   25   26   26   27   27   27   27 
LCS_GDT     I   119_A     I   119_A      3    3   24      3    3    3    3    3    4    5    6    7    8    9   11   13   14   16   17   21   22   23   25 
LCS_GDT     G   120_A     G   120_A      3    3   22      0    3    3    3    3    3    4    4    5    7    7   11   12   14   16   16   17   18   19   23 
LCS_AVERAGE  LCS_A:  24.86  (  12.89   17.95   43.74 )

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     13     22     26     27     28     31     33     36     40     42     45     48     50     54     58     59     61     62     63     64 
GDT PERCENT_AT  12.50  21.15  25.00  25.96  26.92  29.81  31.73  34.62  38.46  40.38  43.27  46.15  48.08  51.92  55.77  56.73  58.65  59.62  60.58  61.54
GDT RMS_LOCAL    0.37   0.62   0.78   0.85   1.06   2.07   2.40   2.62   3.02   3.15   3.45   4.24   4.18   4.76   5.03   5.11   5.27   5.37   5.45   5.64
GDT RMS_ALL_AT  28.46  28.49  28.55  28.53  28.51  28.04  28.07  28.03  28.08  28.11  28.19  27.94  28.10  27.78  27.79  27.83  27.86  27.88  27.94  27.77

# Checking swapping
#   possible swapping detected:  F    30_A      F    30_A
#   possible swapping detected:  D    62_A      D    62_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  Y    80_A      Y    80_A
#   possible swapping detected:  F   104_A      F   104_A
#   possible swapping detected:  D   106_A      D   106_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A    32.959     4    0.079   0.076    35.484    0.000    0.000
LGA    E    18_A      E    18_A    31.579     4    0.553   0.576    33.491    0.000    0.000
LGA    E    19_A      E    19_A    26.174     4    0.713   0.649    28.156    0.000    0.000
LGA    M    20_A      M    20_A    24.014     0    0.323   1.375    28.119    0.000    0.000
LGA    N    21_A      N    21_A    23.464     0    0.216   1.004    27.939    0.000    0.000
LGA    K    22_A      K    22_A    16.636     0    0.109   0.981    19.012    0.000    0.000
LGA    V    23_A      V    23_A    14.161     0    0.115   0.972    16.650    0.000    0.000
LGA    H    24_A      H    24_A    10.388     0    0.027   0.884    14.718    0.000    0.000
LGA    N    25_A      N    25_A    11.789     0    0.592   1.003    15.834    0.000    0.000
LGA    I    26_A      I    26_A    10.176     0    0.042   0.623    11.085    0.000    3.750
LGA    K    27_A      K    27_A    13.428     0    0.126   0.815    22.808    0.000    0.000
LGA    C    28_A      C    28_A    12.816     0    0.100   0.154    16.568    0.000    0.000
LGA    H    29_A      H    29_A    16.756     0    0.221   1.160    18.505    0.000    0.000
LGA    F    30_A      F    30_A    15.249     0    0.018   1.430    18.125    0.000    0.000
LGA    D    31_A      D    31_A    20.204     0    0.070   0.175    21.967    0.000    0.000
LGA    N    32_A      N    32_A    22.912     0    0.126   0.268    26.590    0.000    0.000
LGA    C    33_A      C    33_A    18.515     0    0.090   0.106    19.756    0.000    0.000
LGA    N    34_A      N    34_A    18.668     0    0.112   0.650    23.312    0.000    0.000
LGA    R    35_A      R    35_A    16.234     0    0.077   1.451    23.460    0.000    0.000
LGA    K    36_A      K    36_A    14.288     0    0.146   0.836    23.493    0.000    0.000
LGA    I    37_A      I    37_A    10.343     0    0.124   1.072    11.381    0.119    3.512
LGA    H    38_A      H    38_A    10.172     0    0.311   1.086    11.174    0.476    0.190
LGA    W    39_A      W    39_A     7.320     0    0.050   1.509     8.622   14.405   16.497
LGA    K    40_A      K    40_A     4.519     0    0.403   1.063     7.769   31.786   21.270
LGA    I    41_A      I    41_A     2.856     0    0.535   1.327     7.648   48.929   34.940
LGA    R    42_A      R    42_A     4.172     0    0.074   1.711     7.116   32.619   28.398
LGA    Y    43_A      Y    43_A     5.939     0    0.679   0.919    13.357   20.833   11.548
LGA    G    44_A      G    44_A     7.398     0    0.096   0.096     7.398   18.929   18.929
LGA    K    45_A      K    45_A     6.961     0    0.641   0.928    16.380   15.952    7.460
LGA    L    46_A      L    46_A     6.166     0    0.097   1.305    11.200   20.833   11.845
LGA    R    47_A      R    47_A     6.523     0    0.050   1.448    15.232   20.714    9.048
LGA    L    48_A      L    48_A     4.000     0    0.023   1.502     7.301   45.476   33.750
LGA    V    49_A      V    49_A     1.024     0    0.035   0.973     4.218   79.286   71.429
LGA    D    50_A      D    50_A     2.963     0    0.061   1.016     7.120   53.571   36.964
LGA    H    51_A      H    51_A     5.326     0    0.058   0.116    10.432   27.738   13.952
LGA    A    52_A      A    52_A     4.665     0    0.054   0.069     4.815   35.833   34.952
LGA    L    53_A      L    53_A     2.190     0    0.088   1.091     3.888   52.143   56.548
LGA    S    54_A      S    54_A     6.344     0    0.201   0.716     7.940   17.262   15.556
LGA    H    55_A      H    55_A     7.830     0    0.652   0.606    12.120   10.119    4.429
LGA    Q    56_A      Q    56_A     6.210     0    0.672   1.118     6.902   18.452   22.910
LGA    E    57_A      E    57_A     3.598     4    0.296   0.290     3.988   46.667   26.296
LGA    E    58_A      E    58_A     2.726     4    0.071   0.078     3.078   55.357   30.952
LGA    K    59_A      K    59_A     2.624     0    0.232   1.267     5.559   55.476   50.212
LGA    S    60_A      S    60_A     3.959     0    0.288   0.345     5.139   53.810   45.476
LGA    I    61_A      I    61_A     2.009     0    0.096   0.143     3.320   64.881   62.143
LGA    D    62_A      D    62_A     1.711     0    0.077   1.158     3.547   79.286   69.345
LGA    C    63_A      C    63_A     1.314     0    0.081   0.117     2.205   72.976   74.365
LGA    Q    64_A      Q    64_A     1.875     0    0.203   0.707     5.165   65.595   56.085
LGA    K    65_A      K    65_A     2.069     0    0.078   0.853     4.170   64.881   56.138
LGA    C    66_A      C    66_A     2.379     0    0.091   0.604     2.961   64.762   62.222
LGA    E    67_A      E    67_A     2.522     4    0.110   0.107     2.857   62.857   34.286
LGA    Y    68_A      Y    68_A     2.066     0    0.058   0.922     6.420   68.810   53.016
LGA    S    69_A      S    69_A     1.642     0    0.051   0.666     2.224   70.833   71.587
LGA    C    70_A      C    70_A     2.325     0    0.112   0.694     2.606   64.881   64.841
LGA    Q    71_A      Q    71_A     2.426     0    0.028   0.611     4.471   60.952   52.910
LGA    T    72_A      T    72_A     2.477     0    0.043   0.053     2.912   66.786   63.741
LGA    T    73_A      T    73_A     2.271     0    0.060   0.098     2.974   64.762   61.497
LGA    R    74_A      R    74_A     2.670     0    0.054   1.639     5.911   60.952   54.416
LGA    Q    75_A      Q    75_A     2.283     0    0.059   0.422     4.036   68.810   58.624
LGA    M    76_A      M    76_A     1.327     0    0.060   1.223     5.589   77.143   68.988
LGA    R    77_A      R    77_A     2.323     0    0.037   1.374     9.515   62.857   37.532
LGA    Y    78_A      Y    78_A     2.539     0    0.033   1.174     5.688   62.857   55.833
LGA    H    79_A      H    79_A     1.619     0    0.040   0.179     1.910   72.857   75.429
LGA    Y    80_A      Y    80_A     1.937     0    0.073   0.392     2.352   68.810   74.643
LGA    K    81_A      K    81_A     2.610     0    0.063   1.308     3.880   60.952   60.952
LGA    K    82_A      K    82_A     1.836     0    0.174   0.585     5.025   72.857   58.201
LGA    I    83_A      I    83_A     1.967     0    0.079   1.458     3.589   72.857   66.190
LGA    H    84_A      H    84_A     2.634     0    0.444   0.493     5.012   49.524   61.095
LGA    A    85_A      A    85_A     3.246     0    0.116   0.110     5.930   43.333   46.095
LGA    N    86_A      N    86_A     5.933     3    0.613   0.588     9.432   16.190   12.738
LGA    L    87_A      L    87_A    12.214     0    0.176   1.161    14.898    0.119    0.060
LGA    K    88_A      K    88_A    17.539     0    0.067   0.989    20.292    0.000    0.000
LGA    M    89_A      M    89_A    23.603     0    0.125   1.202    29.117    0.000    0.000
LGA    E    90_A      E    90_A    28.603     0    0.578   1.183    31.233    0.000    0.000
LGA    G    91_A      G    91_A    34.952     0    0.609   0.609    37.436    0.000    0.000
LGA    F    92_A      F    92_A    38.265     0    0.626   1.224    38.991    0.000    0.000
LGA    G    93_A      G    93_A    41.536     0    0.581   0.581    42.571    0.000    0.000
LGA    I    94_A      I    94_A    45.853     0    0.114   1.276    50.765    0.000    0.000
LGA    L    95_A      L    95_A    43.276     0    0.547   1.431    45.130    0.000    0.000
LGA    N    96_A      N    96_A    37.009     0    0.612   0.463    39.142    0.000    0.000
LGA    I    97_A      I    97_A    34.787     0    0.022   1.089    35.716    0.000    0.000
LGA    P    98_A      P    98_A    33.591     0    0.318   0.311    34.705    0.000    0.000
LGA    L    99_A      L    99_A    34.946     0    0.680   0.545    37.658    0.000    0.000
LGA    Q   100_A      Q   100_A    35.323     0    0.461   1.160    37.813    0.000    0.000
LGA    N   101_A      N   101_A    36.767     0    0.569   1.368    39.320    0.000    0.000
LGA    T   102_A      T   102_A    39.634     0    0.064   0.113    41.545    0.000    0.000
LGA    K   103_A      K   103_A    39.001     0    0.024   1.175    41.220    0.000    0.000
LGA    F   104_A      F   104_A    39.548     0    0.059   1.399    42.975    0.000    0.000
LGA    S   105_A      S   105_A    44.169     0    0.024   0.066    47.306    0.000    0.000
LGA    D   106_A      D   106_A    46.187     0    0.054   1.295    48.566    0.000    0.000
LGA    V   107_A      V   107_A    46.015     0    0.039   1.242    48.690    0.000    0.000
LGA    W   108_A      W   108_A    47.694     0    0.031   1.564    51.276    0.000    0.000
LGA    N   109_A      N   109_A    52.276     0    0.029   1.054    55.311    0.000    0.000
LGA    K   110_A      K   110_A    53.988     0    0.029   0.834    56.373    0.000    0.000
LGA    C   111_A      C   111_A    53.477     0    0.021   0.033    56.776    0.000    0.000
LGA    F   112_A      F   112_A    56.018     0    0.692   1.038    56.893    0.000    0.000
LGA    G   113_A      G   113_A    59.192     0    0.599   0.599    61.489    0.000    0.000
LGA    D   114_A      D   114_A    60.889     3    0.681   0.630    63.479    0.000    0.000
LGA    Q   115_A      Q   115_A    62.124     0    0.656   0.998    62.124    0.000    0.000
LGA    L   116_A      L   116_A    63.547     0    0.674   0.753    66.698    0.000    0.000
LGA    K   117_A      K   117_A    63.985     0    0.649   1.105    64.292    0.000    0.000
LGA    T   118_A      T   118_A    62.933     0    0.644   0.571    65.399    0.000    0.000
LGA    I   119_A      I   119_A    58.872     0    0.571   0.935    61.242    0.000    0.000
LGA    G   120_A      G   120_A    62.722     0    0.173   0.173    62.722    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     843    843  100.00               104
SUMMARY(RMSD_GDC):    22.711         22.738                 22.528           23.454   20.421

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0     36    2.62    34.615    30.653     1.323

LGA_LOCAL      RMSD:   2.622  Number of atoms:   36  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  28.030  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:  22.711  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.066854 * X  +   0.484855 * Y  +   0.872036 * Z  +  -6.072404
  Y_new =   0.639620 * X  +   0.691611 * Y  +  -0.335502 * Z  +  -5.951306
  Z_new =  -0.765779 * X  +   0.535342 * Y  +  -0.356359 * Z  +  37.290363 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.674940  0.872252  2.158107   [DEG:   95.9670   49.9763  123.6504 ]
ZXZ:  1.203519  1.935165 -0.960687   [DEG:   68.9566  110.8768  -55.0433 ]
 
# END of job
