
#######################################################
#                                                     #
#                        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:    55      33_A - 87_A        4.90    20.48
  LONGEST_CONTINUOUS_SEGMENT:    55      34_A - 88_A        4.97    20.46
  LCS_AVERAGE:     42.63

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      57_A - 86_A        1.71    22.85
  LONGEST_CONTINUOUS_SEGMENT:    30      58_A - 87_A        1.76    22.90
  LCS_AVERAGE:     17.78

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      59_A - 84_A        0.98    23.26
  LONGEST_CONTINUOUS_SEGMENT:    26      60_A - 85_A        0.94    23.33
  LCS_AVERAGE:     11.86

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    4   15      3    3    3    4    5    6    8    8   10   10   13   21   22   25   27   28   30   32   40   41 
LCS_GDT     E    18_A     E    18_A      3    8   15      3    3    3    4    6    8    9   14   15   17   18   29   30   38   38   39   46   47   50   50 
LCS_GDT     E    19_A     E    19_A      3    8   15      3    3    4    6   12   20   22   31   32   40   41   43   45   46   48   49   49   49   50   53 
LCS_GDT     M    20_A     M    20_A      5    8   39      4    5    5    6    7    8    9   10   11   12   12   42   45   45   48   49   49   49   50   53 
LCS_GDT     N    21_A     N    21_A      5    8   43      4    5    5    6    7    8   18   22   29   34   41   45   47   51   55   60   64   64   66   67 
LCS_GDT     K    22_A     K    22_A      5    8   43      4    5    5    6    7    8   18   31   34   40   44   48   53   58   61   63   64   65   66   67 
LCS_GDT     V    23_A     V    23_A      5    8   43      4    5    5   13   17   21   27   31   36   41   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     H    24_A     H    24_A      5   16   43      3    5    5   13   17   22   27   31   36   41   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     N    25_A     N    25_A      9   17   43      4   11   15   20   24   26   28   31   34   38   45   51   55   58   61   63   64   65   66   67 
LCS_GDT     I    26_A     I    26_A      9   17   43      6   11   16   20   24   26   28   31   34   39   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     K    27_A     K    27_A      9   17   43      6   12   16   21   24   26   28   31   34   39   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     C    28_A     C    28_A      9   17   43      6   12   16   21   24   26   28   31   34   39   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     H    29_A     H    29_A      9   17   43      7   11   16   21   24   26   28   31   34   38   42   46   54   58   61   63   64   65   66   67 
LCS_GDT     F    30_A     F    30_A      9   17   43      7   12   16   21   24   26   28   31   34   39   45   51   55   58   61   63   64   65   66   67 
LCS_GDT     D    31_A     D    31_A      9   17   43      7   12   16   21   24   26   28   31   34   39   43   46   54   58   61   63   64   65   66   67 
LCS_GDT     N    32_A     N    32_A      9   17   46      7   12   16   21   24   26   28   31   34   37   41   44   49   54   59   61   64   65   66   67 
LCS_GDT     C    33_A     C    33_A      9   17   55      7   12   16   21   24   26   28   31   34   39   43   46   54   58   61   63   64   65   66   67 
LCS_GDT     N    34_A     N    34_A      7   17   55      3    6   11   14   23   26   28   31   34   39   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     R    35_A     R    35_A      7   17   55      5   12   16   21   24   26   28   31   34   39   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     K    36_A     K    36_A      7   17   55      4   12   16   21   24   26   28   31   34   39   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     I    37_A     I    37_A      7   17   55      3    9   16   20   24   26   28   31   36   41   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     H    38_A     H    38_A      7   17   55      6   11   16   20   24   26   28   31   36   41   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     W    39_A     W    39_A      7   17   55      6    8   16   20   24   26   28   31   36   41   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     K    40_A     K    40_A      7   17   55      3    4   10   14   21   26   27   30   34   39   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     I    41_A     I    41_A      4   17   55      3    3    5    8   17   26   27   29   32   36   41   47   55   58   61   63   64   65   66   67 
LCS_GDT     R    42_A     R    42_A      3    6   55      3    3    3    4    5    7    7    9   10   12   14   32   36   47   50   54   59   65   66   67 
LCS_GDT     Y    43_A     Y    43_A      4    6   55      4    4    5    5    5    8   10   12   14   15   22   29   47   54   57   63   64   65   66   67 
LCS_GDT     G    44_A     G    44_A      4   16   55      4    4    5    9   15   24   35   40   41   42   44   48   52   58   61   63   64   65   66   67 
LCS_GDT     K    45_A     K    45_A     12   16   55      4    7   13   21   23   28   34   40   41   42   44   47   53   58   61   63   64   65   66   67 
LCS_GDT     L    46_A     L    46_A     12   16   55      5    8   13   26   27   32   35   40   41   42   44   48   52   58   61   63   64   65   66   67 
LCS_GDT     R    47_A     R    47_A     12   16   55      6    8   13   21   24   26   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     L    48_A     L    48_A     12   16   55      6    8   13   21   24   26   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     V    49_A     V    49_A     12   16   55      6    8   16   21   24   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     D    50_A     D    50_A     12   16   55      6   11   16   21   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     H    51_A     H    51_A     12   16   55      7   12   16   21   24   26   34   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     A    52_A     A    52_A     12   16   55      7   12   16   21   24   26   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     L    53_A     L    53_A     12   16   55      6   12   16   21   24   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     S    54_A     S    54_A     12   16   55      5   10   16   21   24   26   28   32   36   40   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     H    55_A     H    55_A     12   16   55      5   12   16   21   24   26   28   32   36   41   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     Q    56_A     Q    56_A     12   25   55      5    9   16   21   24   26   31   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     E    57_A     E    57_A      7   30   55      4    8   10   17   24   30   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     E    58_A     E    58_A      7   30   55      4    6    8   25   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     K    59_A     K    59_A     26   30   55      4   18   23   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     S    60_A     S    60_A     26   30   55      5   18   23   27   27   30   34   40   41   42   44   49   55   58   61   63   64   65   66   67 
LCS_GDT     I    61_A     I    61_A     26   30   55      6   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     D    62_A     D    62_A     26   30   55      5   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     C    63_A     C    63_A     26   30   55      6   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     Q    64_A     Q    64_A     26   30   55      9   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     K    65_A     K    65_A     26   30   55      9   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     C    66_A     C    66_A     26   30   55      5   19   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     E    67_A     E    67_A     26   30   55      6   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     Y    68_A     Y    68_A     26   30   55      3   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     S    69_A     S    69_A     26   30   55      6   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     C    70_A     C    70_A     26   30   55      6   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     Q    71_A     Q    71_A     26   30   55      9   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     T    72_A     T    72_A     26   30   55      9   20   25   27   27   32   34   40   41   42   46   50   55   58   61   63   64   65   66   67 
LCS_GDT     T    73_A     T    73_A     26   30   55      9   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     R    74_A     R    74_A     26   30   55      9   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     Q    75_A     Q    75_A     26   30   55      6   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     M    76_A     M    76_A     26   30   55      9   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     R    77_A     R    77_A     26   30   55      9   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     Y    78_A     Y    78_A     26   30   55      9   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     H    79_A     H    79_A     26   30   55      9   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     Y    80_A     Y    80_A     26   30   55      9   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     K    81_A     K    81_A     26   30   55      9   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     K    82_A     K    82_A     26   30   55      9   15   25   27   27   32   34   40   41   42   46   50   55   58   61   63   64   65   66   67 
LCS_GDT     I    83_A     I    83_A     26   30   55      6   14   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     H    84_A     H    84_A     26   30   55      9   20   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     A    85_A     A    85_A     26   30   55      9   15   25   27   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     N    86_A     N    86_A      4   30   55      5   15   22   25   27   32   35   40   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     L    87_A     L    87_A      4   30   55      5    5    7   13   17   25   28   34   41   42   46   51   55   58   61   63   64   65   66   67 
LCS_GDT     K    88_A     K    88_A      4    8   55      3    4    6    7    7    9   10   12   13   18   22   29   34   44   50   53   56   60   63   67 
LCS_GDT     M    89_A     M    89_A      4    8   49      3    4    6    7    7    9   10   12   13   13   14   16   18   18   20   22   32   40   44   53 
LCS_GDT     E    90_A     E    90_A      4    8   18      3    4    6    7    7    9   10   12   13   13   14   16   18   18   19   21   25   27   31   39 
LCS_GDT     G    91_A     G    91_A      3    8   20      3    3    6    7    7    9   10   12   13   13   14   16   18   18   19   20   22   25   28   29 
LCS_GDT     F    92_A     F    92_A      3    8   29      3    3    5    7    7    9   10   12   13   14   15   16   18   19   20   23   23   27   29   29 
LCS_GDT     G    93_A     G    93_A      4    8   29      3    4    6    7    7    9   12   14   15   20   22   25   27   27   27   28   28   28   29   29 
LCS_GDT     I    94_A     I    94_A      4    8   29      3    4    4    6    7    9   10   12   14   19   22   25   27   27   27   28   28   28   29   29 
LCS_GDT     L    95_A     L    95_A      4    6   29      3    4    4    5    6    7    9    9   12   14   17   18   20   22   26   28   28   28   29   29 
LCS_GDT     N    96_A     N    96_A      4    6   29      4    4    4    5    6    8   12   13   14   16   22   25   27   27   27   28   28   28   29   29 
LCS_GDT     I    97_A     I    97_A      4    6   29      4    4    4    5    8   11   14   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     P    98_A     P    98_A      4    8   29      4    4    5    8   12   16   20   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     L    99_A     L    99_A      4   17   29      4    4    7   14   16   18   20   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     Q   100_A     Q   100_A      3   17   29      0    4    4    5    7   14   20   21   22   23   23   25   27   27   27   28   28   30   32   35 
LCS_GDT     N   101_A     N   101_A     12   17   29      5   11   12   14   16   18   20   21   22   23   23   25   27   27   27   31   33   36   40   43 
LCS_GDT     T   102_A     T   102_A     12   17   29      6   11   12   14   16   18   20   21   22   23   23   25   27   27   27   31   33   36   40   43 
LCS_GDT     K   103_A     K   103_A     12   17   29      7   11   12   14   16   18   20   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     F   104_A     F   104_A     12   17   29      7   11   12   14   16   18   20   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     S   105_A     S   105_A     12   17   29      7   11   12   14   16   18   20   21   22   23   23   25   27   27   27   28   28   29   32   37 
LCS_GDT     D   106_A     D   106_A     12   17   29      7   11   12   14   16   18   20   21   22   23   23   25   27   27   27   28   28   28   29   34 
LCS_GDT     V   107_A     V   107_A     12   17   29      7   11   12   14   16   18   20   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     W   108_A     W   108_A     12   17   29      7   11   12   14   16   18   20   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     N   109_A     N   109_A     12   17   29      7   11   12   13   16   18   20   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     K   110_A     K   110_A     12   17   29      4   11   12   14   16   18   20   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     C   111_A     C   111_A     12   17   29      4   11   12   14   16   18   20   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     F   112_A     F   112_A     12   17   29      4    9   12   14   16   18   20   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     G   113_A     G   113_A     10   17   29      3    4    8   14   16   18   20   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     D   114_A     D   114_A      5   17   29      3    5    8   14   16   18   20   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     Q   115_A     Q   115_A      5   17   29      3    5    8   14   16   18   20   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     L   116_A     L   116_A      5   16   29      3    5    5    6    8   12   20   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     K   117_A     K   117_A      5    6   29      3    5    5   11   16   18   20   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     T   118_A     T   118_A      5    6   29      3    5    8   14   16   18   20   21   22   23   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     I   119_A     I   119_A      4    4   29      3    3    4    4    4    6    8   15   21   22   23   25   27   27   27   28   28   28   29   29 
LCS_GDT     G   120_A     G   120_A      4    4   29      0    3    4    8   16   18   19   21   21   23   23   25   27   27   27   28   28   28   29   29 
LCS_AVERAGE  LCS_A:  24.09  (  11.86   17.78   42.63 )

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      9     20     25     27     27     32     35     40     41     42     46     51     55     58     61     63     64     65     66     67 
GDT PERCENT_AT   8.65  19.23  24.04  25.96  25.96  30.77  33.65  38.46  39.42  40.38  44.23  49.04  52.88  55.77  58.65  60.58  61.54  62.50  63.46  64.42
GDT RMS_LOCAL    0.33   0.63   0.85   1.03   1.03   2.01   2.57   2.73   2.82   2.96   3.87   4.29   4.45   4.66   5.04   5.12   5.19   5.29   5.38   5.55
GDT RMS_ALL_AT  23.62  23.34  23.37  23.30  23.30  22.30  21.65  21.61  21.55  21.48  20.70  20.28  20.31  20.15  20.07  19.99  20.01  19.98  19.97  19.97

# Checking swapping
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  E    90_A      E    90_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    19.068     4    0.571   0.525    21.058    0.000    0.000
LGA    E    18_A      E    18_A    14.340     4    0.069   0.092    16.243    0.000    0.000
LGA    E    19_A      E    19_A     9.983     4    0.705   0.639    11.907    0.595    0.582
LGA    M    20_A      M    20_A    11.608     0    0.064   0.912    16.235    0.000    0.000
LGA    N    21_A      N    21_A     9.327     0    0.244   1.144    11.821    0.833    0.655
LGA    K    22_A      K    22_A     8.930     0    0.115   1.178    10.315    2.381    1.693
LGA    V    23_A      V    23_A    12.835     0    0.191   0.969    17.095    0.000    0.000
LGA    H    24_A      H    24_A    13.511     0    0.133   1.118    15.585    0.000    0.000
LGA    N    25_A      N    25_A    17.703     0    0.572   1.108    20.480    0.000    0.000
LGA    I    26_A      I    26_A    15.413     0    0.072   0.636    15.793    0.000    0.000
LGA    K    27_A      K    27_A    16.099     0    0.137   1.126    24.115    0.000    0.000
LGA    C    28_A      C    28_A    13.950     0    0.081   0.157    16.780    0.000    0.000
LGA    H    29_A      H    29_A    17.208     0    0.233   1.151    21.483    0.000    0.000
LGA    F    30_A      F    30_A    14.367     0    0.056   1.221    16.796    0.000    0.000
LGA    D    31_A      D    31_A    17.322     0    0.061   1.185    17.698    0.000    0.000
LGA    N    32_A      N    32_A    20.088     0    0.068   1.233    20.834    0.000    0.000
LGA    C    33_A      C    33_A    16.954     0    0.525   0.545    19.734    0.000    0.000
LGA    N    34_A      N    34_A    16.086     0    0.252   1.198    17.915    0.000    0.000
LGA    R    35_A      R    35_A    14.707     0    0.102   0.303    15.114    0.000    0.000
LGA    K    36_A      K    36_A    14.699     0    0.039   0.576    21.627    0.000    0.000
LGA    I    37_A      I    37_A    11.064     0    0.112   0.547    12.349    0.000    2.202
LGA    H    38_A      H    38_A    12.981     0    0.201   1.238    19.849    0.000    0.000
LGA    W    39_A      W    39_A    11.323     0    0.045   1.426    14.098    0.000    0.068
LGA    K    40_A      K    40_A    13.363     0    0.575   0.756    19.343    0.000    0.000
LGA    I    41_A      I    41_A    12.947     0    0.066   1.157    16.822    0.000    0.000
LGA    R    42_A      R    42_A    12.410     0    0.626   1.233    20.663    0.714    0.260
LGA    Y    43_A      Y    43_A     9.910     0    0.590   1.307    15.782    5.119    1.706
LGA    G    44_A      G    44_A     3.379     0    0.071   0.071     5.413   42.619   42.619
LGA    K    45_A      K    45_A     3.788     0    0.330   1.156    13.234   53.810   26.349
LGA    L    46_A      L    46_A     2.220     0    0.020   1.076     6.025   68.810   50.655
LGA    R    47_A      R    47_A     3.445     0    0.119   1.116     7.538   48.810   34.286
LGA    L    48_A      L    48_A     4.463     0    0.028   1.506    10.461   40.238   24.583
LGA    V    49_A      V    49_A     2.759     0    0.038   0.983     5.596   62.976   54.354
LGA    D    50_A      D    50_A     1.990     0    0.035   0.241     4.389   65.000   56.786
LGA    H    51_A      H    51_A     4.808     0    0.068   0.210     9.555   33.095   17.429
LGA    A    52_A      A    52_A     4.763     0    0.077   0.098     5.344   37.262   35.048
LGA    L    53_A      L    53_A     2.635     0    0.104   0.947     8.282   48.690   36.548
LGA    S    54_A      S    54_A     6.652     0    0.209   0.237     8.374   14.167   11.032
LGA    H    55_A      H    55_A     7.662     0    0.323   1.100    10.872   11.786    5.381
LGA    Q    56_A      Q    56_A     5.382     0    0.276   0.993     6.379   25.238   23.175
LGA    E    57_A      E    57_A     3.431     4    0.166   0.171     4.105   52.262   28.042
LGA    E    58_A      E    58_A     1.432     4    0.026   0.069     2.235   70.952   38.730
LGA    K    59_A      K    59_A     2.938     0    0.246   0.980     9.975   57.500   33.175
LGA    S    60_A      S    60_A     3.550     0    0.246   0.766     4.309   50.119   49.127
LGA    I    61_A      I    61_A     2.792     0    0.050   1.375     5.135   55.357   48.929
LGA    D    62_A      D    62_A     2.587     0    0.057   1.249     4.994   60.952   54.940
LGA    C    63_A      C    63_A     1.943     0    0.054   0.071     2.181   70.833   70.159
LGA    Q    64_A      Q    64_A     1.747     0    0.224   1.399     5.668   68.929   62.222
LGA    K    65_A      K    65_A     1.498     0    0.063   0.641     2.427   75.119   76.772
LGA    C    66_A      C    66_A     2.085     0    0.155   0.320     2.601   64.881   64.841
LGA    E    67_A      E    67_A     2.583     4    0.122   0.119     3.004   60.952   32.646
LGA    Y    68_A      Y    68_A     1.547     0    0.047   0.156     2.583   75.000   67.579
LGA    S    69_A      S    69_A     1.702     0    0.031   0.073     2.482   75.000   71.587
LGA    C    70_A      C    70_A     2.060     0    0.080   0.702     2.730   64.881   63.571
LGA    Q    71_A      Q    71_A     2.572     0    0.045   1.143     3.171   57.262   64.603
LGA    T    72_A      T    72_A     2.946     0    0.064   0.085     3.030   59.048   56.190
LGA    T    73_A      T    73_A     2.694     0    0.070   1.130     5.743   59.048   52.109
LGA    R    74_A      R    74_A     2.715     0    0.035   1.254     7.253   59.048   44.632
LGA    Q    75_A      Q    75_A     2.643     0    0.051   0.715     5.054   60.952   50.106
LGA    M    76_A      M    76_A     1.965     0    0.052   1.188     4.953   70.833   60.952
LGA    R    77_A      R    77_A     1.699     0    0.033   1.724     3.465   72.857   65.238
LGA    Y    78_A      Y    78_A     2.409     0    0.022   1.470     5.738   64.762   52.341
LGA    H    79_A      H    79_A     1.475     0    0.036   0.481     1.825   79.286   79.762
LGA    Y    80_A      Y    80_A     0.578     0    0.035   1.133     6.997   85.952   60.516
LGA    K    81_A      K    81_A     1.626     0    0.101   0.651     2.812   69.048   72.275
LGA    K    82_A      K    82_A     2.995     0    0.136   0.731     4.277   53.810   48.042
LGA    I    83_A      I    83_A     2.541     0    0.082   1.530     4.697   62.857   56.012
LGA    H    84_A      H    84_A     1.536     0    0.463   0.970     2.867   66.905   72.333
LGA    A    85_A      A    85_A     2.837     0    0.108   0.105     4.235   54.048   53.238
LGA    N    86_A      N    86_A     3.519     3    0.344   0.342     5.261   43.452   26.369
LGA    L    87_A      L    87_A     6.722     0    0.277   1.210    10.400    9.048   32.143
LGA    K    88_A      K    88_A    14.066     0    0.027   1.219    21.493    0.000    0.000
LGA    M    89_A      M    89_A    18.133     0    0.653   0.952    24.258    0.000    0.000
LGA    E    90_A      E    90_A    23.229     0    0.127   1.112    26.600    0.000    0.000
LGA    G    91_A      G    91_A    26.520     0    0.644   0.644    28.781    0.000    0.000
LGA    F    92_A      F    92_A    30.425     0    0.569   1.238    32.409    0.000    0.000
LGA    G    93_A      G    93_A    36.624     0    0.583   0.583    37.534    0.000    0.000
LGA    I    94_A      I    94_A    40.309     0    0.095   1.558    46.911    0.000    0.000
LGA    L    95_A      L    95_A    37.095     0    0.593   1.418    38.151    0.000    0.000
LGA    N    96_A      N    96_A    32.404     0    0.659   0.848    34.190    0.000    0.000
LGA    I    97_A      I    97_A    31.012     0    0.055   1.022    31.773    0.000    0.000
LGA    P    98_A      P    98_A    32.254     0    0.298   0.309    32.709    0.000    0.000
LGA    L    99_A      L    99_A    31.962     0    0.677   0.572    34.310    0.000    0.000
LGA    Q   100_A      Q   100_A    31.933     0    0.470   1.184    31.933    0.000    0.000
LGA    N   101_A      N   101_A    30.474     0    0.536   0.899    30.999    0.000    0.000
LGA    T   102_A      T   102_A    31.547     0    0.042   0.095    32.666    0.000    0.000
LGA    K   103_A      K   103_A    32.751     0    0.070   1.235    36.738    0.000    0.000
LGA    F   104_A      F   104_A    31.231     0    0.064   0.062    31.942    0.000    0.000
LGA    S   105_A      S   105_A    30.977     0    0.064   0.061    32.936    0.000    0.000
LGA    D   106_A      D   106_A    33.976     0    0.043   1.038    35.630    0.000    0.000
LGA    V   107_A      V   107_A    35.436     0    0.045   1.200    36.234    0.000    0.000
LGA    W   108_A      W   108_A    33.991     0    0.031   0.106    35.740    0.000    0.000
LGA    N   109_A      N   109_A    35.484     0    0.030   1.151    38.471    0.000    0.000
LGA    K   110_A      K   110_A    38.891     0    0.031   0.779    45.423    0.000    0.000
LGA    C   111_A      C   111_A    40.223     0    0.022   0.774    42.494    0.000    0.000
LGA    F   112_A      F   112_A    40.372     0    0.684   1.212    40.692    0.000    0.000
LGA    G   113_A      G   113_A    39.458     0    0.168   0.168    41.421    0.000    0.000
LGA    D   114_A      D   114_A    45.424     3    0.753   0.695    47.418    0.000    0.000
LGA    Q   115_A      Q   115_A    44.589     0    0.238   1.426    45.868    0.000    0.000
LGA    L   116_A      L   116_A    46.963     0    0.139   0.324    48.208    0.000    0.000
LGA    K   117_A      K   117_A    48.110     0    0.605   0.752    51.782    0.000    0.000
LGA    T   118_A      T   118_A    47.709     0    0.098   1.072    49.882    0.000    0.000
LGA    I   119_A      I   119_A    42.188     0    0.524   1.409    44.384    0.000    0.000
LGA    G   120_A      G   120_A    41.852     0    0.496   0.496    42.248    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):    16.492         16.510                 16.252           23.972   20.525

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0     40    2.73    36.058    31.334     1.412

LGA_LOCAL      RMSD:   2.733  Number of atoms:   40  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  21.614  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:  16.492  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.400356 * X  +   0.395291 * Y  +   0.826717 * Z  +   6.461713
  Y_new =   0.545371 * X  +   0.827785 * Y  +  -0.131693 * Z  +  -4.089421
  Z_new =  -0.736400 * X  +   0.398143 * Y  +  -0.546989 * Z  +  41.536839 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.204043  0.827734  2.512398   [DEG:  126.2824   47.4257  143.9498 ]
ZXZ:  1.412827  2.149559 -1.075151   [DEG:   80.9490  123.1607  -61.6016 ]
 
# END of job
