
#######################################################
#                                                     #
#                        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  128 ( 1049),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  864),  selected  105 , 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:    71      22_A - 92_A        4.83    23.99
  LCS_AVERAGE:     55.60

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      57_A - 88_A        1.91    24.24
  LONGEST_CONTINUOUS_SEGMENT:    32      58_A - 89_A        1.95    24.38
  LCS_AVERAGE:     18.71

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      62_A - 86_A        0.94    24.34
  LCS_AVERAGE:     12.10

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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     N    22_A     N    22_A      5    7   71      5    5    6    6    7    8   13   15   23   27   29   34   40   45   48   53   57   60   62   66 
LCS_GDT     K    23_A     K    23_A      5    7   71      5    5    6    7   11   11   13   14   21   22   33   52   54   55   65   67   67   68   68   68 
LCS_GDT     V    24_A     V    24_A      5    7   71      5    5    8   17   26   36   46   53   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     H    25_A     H    25_A      5   17   71      5    5    6   11   23   41   48   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     I    26_A     I    26_A     15   19   71      7   17   20   28   32   41   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     I    27_A     I    27_A     15   19   71      7   17   20   28   32   42   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     K    28_A     K    28_A     15   19   71      7   17   22   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     C    29_A     C    29_A     15   19   71      7   17   22   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     H    30_A     H    30_A     15   19   71      7   17   22   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     F    31_A     F    31_A     15   19   71      7   17   22   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     D    32_A     D    32_A     15   19   71      3    3   12   28   32   41   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     K    33_A     K    33_A     15   19   71      4   17   20   28   32   41   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     C    34_A     C    34_A     15   19   71      5   17   22   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     N    35_A     N    35_A     15   19   71      7   17   22   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     K    36_A     K    36_A     15   19   71      7   17   22   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     S    37_A     S    37_A     15   19   71      7   17   22   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     Y    38_A     Y    38_A     15   19   71      7   17   22   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     N    39_A     N    39_A     15   19   71      7   17   20   28   32   39   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     W    40_A     W    40_A     15   19   71      3    5   17   24   31   35   43   54   55   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     R    41_A     R    41_A      6   19   71      3    3    6   27   31   35   41   48   54   58   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     K    42_A     K    42_A      4   19   71      3    7   17   25   32   42   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     K    43_A     K    43_A      4   19   71      3    7   17   25   32   42   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     Y    44_A     Y    44_A      4   19   71      3    4   17   25   32   42   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     G    45_A     G    45_A      4   17   71      3    4    5    7   15   24   33   41   50   59   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     K    46_A     K    46_A     12   17   71      8   11   14   19   26   35   41   48   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     L    47_A     L    47_A     12   17   71      8   11   14   24   29   35   42   48   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     R    48_A     R    48_A     12   17   71      8   12   22   27   31   41   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     L    49_A     L    49_A     12   17   71      8   11   22   27   32   42   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     V    50_A     V    50_A     12   17   71      8   12   22   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     D    51_A     D    51_A     12   17   71      8   13   22   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     H    52_A     H    52_A     12   17   71      8   17   22   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     A    53_A     A    53_A     12   17   71      8   17   22   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     F    54_A     F    54_A     12   17   71      7   17   22   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     T    55_A     T    55_A     12   17   71      7   17   22   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     H    56_A     H    56_A     12   31   71      7   17   22   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     V    57_A     V    57_A     12   32   71      4    9   21   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     P    58_A     P    58_A      3   32   71      3    3   19   27   28   31   37   42   48   57   62   65   66   67   67   67   67   68   68   68 
LCS_GDT     H    59_A     H    59_A      3   32   71      3    3    9   27   28   32   39   47   55   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     L    60_A     L    60_A      3   32   71      3    3    4   12   26   32   40   51   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     K    61_A     K    61_A     11   32   71      3    5   15   20   25   28   34   40   47   56   62   65   66   67   67   67   67   68   68   68 
LCS_GDT     M    62_A     M    62_A     25   32   71      7   16   23   27   31   38   49   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     K    63_A     K    63_A     25   32   71     11   20   24   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     C    64_A     C    64_A     25   32   71     14   20   24   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     N    65_A     N    65_A     25   32   71      7   14   24   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     F    66_A     F    66_A     25   32   71      7   17   24   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     C    67_A     C    67_A     25   32   71      4   15   24   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     D    68_A     D    68_A     25   32   71     11   20   24   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     Y    69_A     Y    69_A     25   32   71      8   20   24   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     M    70_A     M    70_A     25   32   71      7   20   24   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     C    71_A     C    71_A     25   32   71      7   19   24   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     K    72_A     K    72_A     25   32   71      3   20   24   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     G    73_A     G    73_A     25   32   71     14   20   24   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     I    74_A     I    74_A     25   32   71     14   20   24   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     R    75_A     R    75_A     25   32   71     14   20   24   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     N    76_A     N    76_A     25   32   71     14   20   24   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     I    77_A     I    77_A     25   32   71     14   20   24   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     R    78_A     R    78_A     25   32   71     14   20   24   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     L    79_A     L    79_A     25   32   71     14   20   24   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     H    80_A     H    80_A     25   32   71     14   20   24   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     H    81_A     H    81_A     25   32   71     14   20   24   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     K    82_A     K    82_A     25   32   71     14   20   24   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     K    83_A     K    83_A     25   32   71     14   20   24   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     S    84_A     S    84_A     25   32   71     14   20   24   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     H    85_A     H    85_A     25   32   71     14   20   24   27   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     P    86_A     P    86_A     25   32   71     13   20   24   27   32   43   52   55   56   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     D    87_A     D    87_A      4   32   71      3    4   14   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     E    88_A     E    88_A      4   32   71      4   16   22   28   32   43   52   55   58   60   63   65   66   67   67   67   67   68   68   68 
LCS_GDT     Q    89_A     Q    89_A      4   32   71      3    4    6    7   17   35   44   54   55   59   62   64   66   67   67   67   67   68   68   68 
LCS_GDT     L    90_A     L    90_A      4   29   71      3    4    6   13   24   29   30   36   44   52   58   62   64   67   67   67   67   68   68   68 
LCS_GDT     T    91_A     T    91_A      4    8   71      3    4    5    7    8    8    9   10   12   14   21   31   38   44   54   55   59   60   63   67 
LCS_GDT     G    92_A     G    92_A      4    7   71      3    4    5    7    8    8    9   10   12   14   14   16   19   28   28   33   36   39   42   46 
LCS_GDT     F    93_A     F    93_A      4    7   70      3    4    5    6    7    8    9   10   12   14   14   16   19   22   25   27   29   32   33   36 
LCS_GDT     G    94_A     G    94_A      4    7   27      3    4    5    6    6   10   12   13   16   17   18   19   21   23   26   28   30   32   33   35 
LCS_GDT     I    95_A     I    95_A      4    7   31      3    4    5    6    7    8   12   15   17   17   19   21   25   28   30   31   31   32   32   33 
LCS_GDT     K    96_A     K    96_A      4    4   31      3    3    4    6    7    8   11   13   16   20   25   26   28   29   30   31   31   32   33   35 
LCS_GDT     S    97_A     S    97_A      4    4   31      3    3    4    5    5    7    9   10   13   17   19   21   26   29   29   31   31   32   33   35 
LCS_GDT     V    98_A     V    98_A      4    4   31      3    3    4    4    5    7    9   10   15   20   25   26   28   29   30   31   31   32   33   35 
LCS_GDT     V    99_A     V    99_A      4    4   31      3    3    4    6    7    7    9   11   15   20   25   26   28   29   30   31   31   32   33   35 
LCS_GDT     R   100_A     R   100_A      3    5   31      3    3    3    6    7    7    9   11   15   20   25   26   28   29   30   31   31   32   33   35 
LCS_GDT     T   101_A     T   101_A      4    6   31      3    4    4    6    7    9   12   15   19   21   25   26   28   29   30   31   31   32   33   36 
LCS_GDT     S   102_A     S   102_A      4   15   31      3    4    4    6   12   13   15   19   20   21   25   26   28   29   30   31   31   32   33   36 
LCS_GDT     K   103_A     K   103_A      4   15   31      3    4    7   13   13   14   16   19   20   21   25   26   28   29   30   31   31   32   33   34 
LCS_GDT     K   104_A     K   104_A     13   15   31      3   13   13   13   13   14   16   19   20   21   25   26   28   29   30   31   31   32   33   36 
LCS_GDT     G   105_A     G   105_A     13   15   31      8   13   13   13   13   14   16   19   20   21   22   26   28   29   30   31   31   32   33   36 
LCS_GDT     K   106_A     K   106_A     13   15   31      7   13   13   13   13   14   16   19   20   21   25   26   28   29   30   31   31   32   33   36 
LCS_GDT     D   107_A     D   107_A     13   15   31      8   13   13   13   13   14   16   19   20   21   25   26   28   29   30   31   31   32   33   35 
LCS_GDT     L   108_A     L   108_A     13   15   31      8   13   13   13   13   14   16   19   20   21   25   26   28   29   30   31   31   32   32   35 
LCS_GDT     A   109_A     A   109_A     13   15   31      8   13   13   13   13   14   16   19   20   21   25   26   28   29   30   31   31   32   32   35 
LCS_GDT     K   110_A     K   110_A     13   15   31      8   13   13   13   13   14   16   19   20   21   25   26   28   29   30   31   31   32   32   35 
LCS_GDT     V   111_A     V   111_A     13   15   31      8   13   13   13   13   14   16   19   20   21   25   26   28   29   30   31   31   32   32   33 
LCS_GDT     W   112_A     W   112_A     13   15   31      8   13   13   13   13   14   16   19   20   21   25   26   28   29   30   31   31   32   32   33 
LCS_GDT     D   113_A     D   113_A     13   15   31      8   13   13   13   13   14   16   19   20   21   25   26   28   29   30   31   31   32   32   33 
LCS_GDT     E   114_A     E   114_A     13   15   31      7   13   13   13   13   14   16   19   20   21   25   26   28   29   30   31   31   32   32   33 
LCS_GDT     C   115_A     C   115_A     13   15   31      6   13   13   13   13   14   16   19   20   21   25   26   28   29   30   31   31   32   32   33 
LCS_GDT     F   116_A     F   116_A     13   15   31      4   13   13   13   13   14   16   19   20   21   25   26   28   29   30   31   31   32   32   33 
LCS_GDT     K   117_A     K   117_A      5   14   31      4    4    5    5    7    9   16   19   20   21   25   26   28   29   30   31   31   32   32   33 
LCS_GDT     K   118_A     K   118_A      5    7   31      4    4    5    5    7    7    8   10   15   18   22   24   28   29   30   31   31   32   32   33 
LCS_GDT     N   119_A     N   119_A      5    7   31      4    4    5    5   12   14   16   19   20   21   25   26   28   29   30   31   31   32   32   33 
LCS_GDT     R   120_A     R   120_A      5    7   31      3    4    5    6    8   14   16   19   20   21   25   26   28   29   30   31   31   32   32   33 
LCS_GDT     V   121_A     V   121_A      3    7   31      3    3    4    5    8   13   16   18   20   20   21   24   28   29   30   31   31   32   32   33 
LCS_GDT     L   122_A     L   122_A      4    7   31      3    4    4    5    6    7   15   19   20   21   25   26   28   29   30   31   31   32   32   33 
LCS_GDT     Q   123_A     Q   123_A      4    7   31      3    4    4    5    6    7    8   11   16   21   25   26   28   29   30   31   31   32   32   33 
LCS_GDT     H   124_A     H   124_A      4    7   31      3    4    4    6    6    7    8   11   13   15   17   20   27   29   30   31   31   32   32   33 
LCS_GDT     G   125_A     G   125_A      4    7   31      3    4    4    4    6    7    8   11   16   21   25   26   28   29   30   31   31   32   32   33 
LCS_GDT     S   126_A     S   126_A      3    3   31      0    3    3    3    3    3    8   10   11   13   13   15   15   17   21   23   26   31   32   33 
LCS_AVERAGE  LCS_A:  28.80  (  12.10   18.71   55.60 )

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     14     20     24     28     32     43     52     55     58     60     63     65     66     67     67     67     67     68     68     68 
GDT PERCENT_AT  13.33  19.05  22.86  26.67  30.48  40.95  49.52  52.38  55.24  57.14  60.00  61.90  62.86  63.81  63.81  63.81  63.81  64.76  64.76  64.76
GDT RMS_LOCAL    0.26   0.57   0.89   1.41   1.65   2.17   2.42   2.55   2.77   2.85   3.06   3.26   3.32   3.43   3.43   3.43   3.43   3.64   3.64   3.64
GDT RMS_ALL_AT  24.31  24.49  24.34  23.84  23.59  23.90  24.04  24.04  24.17  24.14  24.21  24.24  24.24  24.19  24.19  24.19  24.19  24.20  24.20  24.20

# Checking swapping
#   possible swapping detected:  D    32_A      D    32_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  Y    69_A      Y    69_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  D   107_A      D   107_A
#   possible swapping detected:  D   113_A      D   113_A
#   possible swapping detected:  F   116_A      F   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    22_A      N    22_A    17.492     0    0.604   1.164    19.424    0.000    0.000
LGA    K    23_A      K    23_A    11.317     0    0.149   0.626    14.831    0.119    0.053
LGA    V    24_A      V    24_A     5.422     0    0.071   1.077     7.002   22.262   32.381
LGA    H    25_A      H    25_A     4.512     0    0.207   1.354    12.058   36.071   16.190
LGA    I    26_A      I    26_A     3.351     0    0.633   1.028     7.175   57.262   37.440
LGA    I    27_A      I    27_A     2.753     0    0.056   0.988     5.952   60.952   52.857
LGA    K    28_A      K    28_A     1.442     0    0.069   1.186     6.066   75.119   63.228
LGA    C    29_A      C    29_A     1.139     0    0.035   0.052     1.287   81.429   82.937
LGA    H    30_A      H    30_A     1.582     0    0.276   0.241     4.688   77.143   56.524
LGA    F    31_A      F    31_A     1.845     0    0.064   0.988     2.187   72.857   74.589
LGA    D    32_A      D    32_A     2.993     0    0.169   0.195     4.945   59.048   46.726
LGA    K    33_A      K    33_A     3.149     0    0.307   0.998     6.893   53.571   37.037
LGA    C    34_A      C    34_A     2.220     0    0.535   0.542     4.391   57.857   62.857
LGA    N    35_A      N    35_A     0.589     0    0.072   0.946     3.675   92.857   76.548
LGA    K    36_A      K    36_A     0.955     0    0.075   1.197     2.490   90.476   82.751
LGA    S    37_A      S    37_A     1.602     0    0.062   0.149     2.070   72.976   72.937
LGA    Y    38_A      Y    38_A     2.161     0    0.131   0.630     4.718   60.952   54.722
LGA    N    39_A      N    39_A     3.759     0    0.347   0.396     5.312   39.167   40.536
LGA    W    40_A      W    40_A     5.198     0    0.537   1.209     8.806   27.500   15.578
LGA    R    41_A      R    41_A     6.048     0    0.094   1.681    10.744   21.786    8.485
LGA    K    42_A      K    42_A     3.013     0    0.589   0.967    11.631   51.786   30.370
LGA    K    43_A      K    43_A     2.694     0    0.149   0.174     3.861   51.905   55.714
LGA    Y    44_A      Y    44_A     3.021     0    0.637   0.956     7.156   37.976   48.651
LGA    G    45_A      G    45_A     6.379     0    0.329   0.329     6.379   26.548   26.548
LGA    K    46_A      K    46_A     5.302     0    0.217   0.664     6.307   29.048   26.455
LGA    L    47_A      L    47_A     5.004     0    0.090   1.198     9.811   33.214   21.429
LGA    R    48_A      R    48_A     3.246     0    0.021   0.994     8.258   55.833   37.749
LGA    L    49_A      L    49_A     2.473     0    0.035   1.471     6.091   67.024   48.512
LGA    V    50_A      V    50_A     2.501     0    0.024   1.239     5.568   62.976   56.599
LGA    D    51_A      D    51_A     2.374     0    0.028   0.186     4.944   68.810   54.762
LGA    H    52_A      H    52_A     0.792     0    0.039   0.124     1.243   90.595   90.619
LGA    A    53_A      A    53_A     0.517     0    0.041   0.054     0.943   95.238   94.286
LGA    F    54_A      F    54_A     0.765     0    0.110   0.652     2.235   92.857   85.844
LGA    T    55_A      T    55_A     1.313     0    0.091   1.110     3.192   79.286   75.714
LGA    H    56_A      H    56_A     1.479     0    0.359   0.347     2.793   75.357   74.714
LGA    V    57_A      V    57_A     1.175     0    0.641   1.484     4.709   67.976   60.748
LGA    P    58_A      P    58_A     7.473     0    0.595   0.700    10.001   16.667   11.633
LGA    H    59_A      H    59_A     6.181     0    0.757   1.060     7.340   14.405   16.524
LGA    L    60_A      L    60_A     5.133     0    0.034   1.209     6.597   21.786   26.369
LGA    K    61_A      K    61_A     7.486     0    0.667   1.501    17.235   14.405    6.402
LGA    M    62_A      M    62_A     4.286     0    0.027   0.895     7.652   39.167   32.500
LGA    K    63_A      K    63_A     2.675     0    0.030   0.918     7.233   63.214   42.910
LGA    C    64_A      C    64_A     0.653     0    0.480   0.545     2.855   79.881   85.000
LGA    N    65_A      N    65_A     1.737     0    0.298   0.962     4.979   67.262   56.726
LGA    F    66_A      F    66_A     2.359     0    0.201   0.370     4.675   59.524   50.173
LGA    C    67_A      C    67_A     2.188     0    0.661   0.652     3.365   61.071   63.651
LGA    D    68_A      D    68_A     2.880     0    0.116   0.353     4.560   59.048   47.440
LGA    Y    69_A      Y    69_A     2.336     0    0.106   0.424     2.497   64.762   70.238
LGA    M    70_A      M    70_A     2.979     0    0.018   0.637     4.611   53.571   46.190
LGA    C    71_A      C    71_A     3.289     0    0.069   0.339     3.847   46.667   50.238
LGA    K    72_A      K    72_A     3.460     0    0.653   0.848     4.822   45.357   46.455
LGA    G    73_A      G    73_A     3.195     0    0.031   0.031     3.195   51.786   51.786
LGA    I    74_A      I    74_A     3.275     0    0.089   1.137     6.308   50.000   40.655
LGA    R    75_A      R    75_A     3.428     0    0.043   1.035     3.926   53.571   57.662
LGA    N    76_A      N    76_A     1.974     0    0.039   1.140     4.201   68.929   68.631
LGA    I    77_A      I    77_A     1.860     0    0.033   0.067     2.780   68.810   66.845
LGA    R    78_A      R    78_A     2.672     0    0.025   1.109     8.068   59.048   37.835
LGA    L    79_A      L    79_A     2.534     0    0.035   1.022     5.133   60.952   53.512
LGA    H    80_A      H    80_A     1.439     0    0.026   0.206     1.837   75.000   82.476
LGA    H    81_A      H    81_A     1.974     0    0.085   0.155     2.475   68.810   73.000
LGA    K    82_A      K    82_A     3.333     0    0.040   0.977     3.572   50.119   56.878
LGA    K    83_A      K    83_A     3.241     0    0.094   1.090     8.530   50.000   35.291
LGA    S    84_A      S    84_A     2.621     0    0.855   1.039     2.819   69.405   66.587
LGA    H    85_A      H    85_A     3.155     0    0.091   0.979     3.873   48.333   56.143
LGA    P    86_A      P    86_A     3.473     0    0.665   0.572     4.974   45.357   46.395
LGA    D    87_A      D    87_A     1.709     0    0.060   1.101     4.906   71.548   60.238
LGA    E    88_A      E    88_A     2.355     0    0.130   1.789     4.775   57.738   52.381
LGA    Q    89_A      Q    89_A     5.070     0    0.046   1.231     7.398   24.167   25.661
LGA    L    90_A      L    90_A     7.240     0    0.102   1.350     9.276    8.571   23.810
LGA    T    91_A      T    91_A    13.497     0    0.137   0.203    17.713    0.000    0.000
LGA    G    92_A      G    92_A    17.003     0    0.145   0.145    19.002    0.000    0.000
LGA    F    93_A      F    93_A    22.606     0    0.064   1.067    26.010    0.000    0.000
LGA    G    94_A      G    94_A    26.850     0    0.615   0.615    29.829    0.000    0.000
LGA    I    95_A      I    95_A    33.030     0    0.096   0.676    38.552    0.000    0.000
LGA    K    96_A      K    96_A    36.357     0    0.620   0.884    43.756    0.000    0.000
LGA    S    97_A      S    97_A    35.233     0    0.134   0.626    35.633    0.000    0.000
LGA    V    98_A      V    98_A    34.282     0    0.061   1.238    36.661    0.000    0.000
LGA    V    99_A      V    99_A    34.039     0    0.556   1.350    36.610    0.000    0.000
LGA    R   100_A      R   100_A    32.008     0    0.618   1.121    38.786    0.000    0.000
LGA    T   101_A      T   101_A    25.302     0    0.701   1.397    27.765    0.000    0.000
LGA    S   102_A      S   102_A    24.303     0    0.095   0.737    26.299    0.000    0.000
LGA    K   103_A      K   103_A    23.662     0    0.057   0.772    24.024    0.000    0.000
LGA    K   104_A      K   104_A    24.559     4    0.280   0.265    25.628    0.000    0.000
LGA    G   105_A      G   105_A    24.552     0    0.196   0.196    28.695    0.000    0.000
LGA    K   106_A      K   106_A    30.191     0    0.077   1.848    33.927    0.000    0.000
LGA    D   107_A      D   107_A    33.975     0    0.032   1.040    35.944    0.000    0.000
LGA    L   108_A      L   108_A    31.629     0    0.045   0.983    34.741    0.000    0.000
LGA    A   109_A      A   109_A    34.132     0    0.130   0.130    38.592    0.000    0.000
LGA    K   110_A      K   110_A    39.480     0    0.102   0.712    46.467    0.000    0.000
LGA    V   111_A      V   111_A    40.776     0    0.076   0.857    43.147    0.000    0.000
LGA    W   112_A      W   112_A    40.239     0    0.110   0.960    44.056    0.000    0.000
LGA    D   113_A      D   113_A    45.616     0    0.076   1.119    49.767    0.000    0.000
LGA    E   114_A      E   114_A    49.360     0    0.071   0.074    52.556    0.000    0.000
LGA    C   115_A      C   115_A    49.338     0    0.710   1.168    49.338    0.000    0.000
LGA    F   116_A      F   116_A    49.233     0    0.425   0.451    50.880    0.000    0.000
LGA    K   117_A      K   117_A    49.480     0    0.025   1.574    53.890    0.000    0.000
LGA    K   118_A      K   118_A    49.801     0    0.111   0.970    51.419    0.000    0.000
LGA    N   119_A      N   119_A    52.238     0    0.586   0.584    53.022    0.000    0.000
LGA    R   120_A      R   120_A    55.679     6    0.572   0.529    58.642    0.000    0.000
LGA    V   121_A      V   121_A    51.805     0    0.222   0.245    53.078    0.000    0.000
LGA    L   122_A      L   122_A    49.510     0    0.707   0.604    51.283    0.000    0.000
LGA    Q   123_A      Q   123_A    54.715     0    0.139   1.150    58.947    0.000    0.000
LGA    H   124_A      H   124_A    56.211     0    0.156   1.068    61.172    0.000    0.000
LGA    G   125_A      G   125_A    58.850     0    0.605   0.605    61.542    0.000    0.000
LGA    S   126_A      S   126_A    61.571     0    0.542   0.648    62.979    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     864    864  100.00               105
SUMMARY(RMSD_GDC):    19.421         19.488                 19.407           35.569   32.489

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0     55    2.55    40.476    37.389     2.072

LGA_LOCAL      RMSD:   2.555  Number of atoms:   55  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.042  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:  19.421  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.286835 * X  +   0.848170 * Y  +   0.445345 * Z  +   3.192556
  Y_new =   0.204869 * X  +  -0.508435 * Y  +   0.836375 * Z  + -35.166798
  Z_new =   0.935817 * X  +  -0.148664 * Y  +  -0.319601 * Z  +  14.773096 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.620219 -1.210571 -2.706207   [DEG:   35.5360  -69.3606 -155.0543 ]
ZXZ:  2.652307  1.896105  1.728340   [DEG:  151.9660  108.6388   99.0266 ]
 
# END of job
