
#######################################################
#                                                     #
#                        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:    68      22_A - 89_A        4.75    24.12
  LCS_AVERAGE:     50.98

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      57_A - 86_A        1.94    24.23
  LCS_AVERAGE:     18.15

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      61_A - 86_A        0.77    25.05
  LCS_AVERAGE:     12.91

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      4    8   68      3    3    4    4    7   23   26   31   44   46   56   57   60   62   62   63   64   65   65   66 
LCS_GDT     K    23_A     K    23_A      4    9   68      3    3    5    7    9   31   41   51   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     V    24_A     V    24_A      4    9   68      3    3    5    7   23   31   40   47   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     H    25_A     H    25_A      4   16   68      3    3    4    5    8   30   47   53   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     I    26_A     I    26_A      6   17   68      4   13   24   32   38   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     I    27_A     I    27_A     14   17   68      4   18   25   32   38   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     K    28_A     K    28_A     14   17   68      8   18   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     C    29_A     C    29_A     14   17   68      8   18   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     H    30_A     H    30_A     14   17   68      3   13   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     F    31_A     F    31_A     14   17   68      7   18   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     D    32_A     D    32_A     14   17   68      3    3   19   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     K    33_A     K    33_A     14   17   68      8   18   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     C    34_A     C    34_A     14   17   68      8   18   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     N    35_A     N    35_A     14   17   68      8   18   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     K    36_A     K    36_A     14   17   68      8   18   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     S    37_A     S    37_A     14   17   68      6   18   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     Y    38_A     Y    38_A     14   17   68      6   13   25   32   38   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     N    39_A     N    39_A     14   17   68      6   13   23   32   38   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     W    40_A     W    40_A     14   17   68      6   13   23   32   38   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     R    41_A     R    41_A      4   17   68      3    3    4    6   16   30   39   46   49   55   57   60   62   62   63   63   64   65   65   66 
LCS_GDT     K    42_A     K    42_A      4   17   68      3    3   11   26   33   40   46   50   54   55   58   60   62   62   63   63   64   65   65   66 
LCS_GDT     K    43_A     K    43_A      4   11   68      3    3    4    6   11   14   25   38   42   48   52   54   57   59   60   62   63   63   64   64 
LCS_GDT     Y    44_A     Y    44_A      4   11   68      3    3    4   11   17   25   36   43   48   51   53   56   57   61   62   63   63   64   64   64 
LCS_GDT     G    45_A     G    45_A     13   20   68      2   18   25   32   38   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     K    46_A     K    46_A     13   20   68      9   13   24   31   38   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     L    47_A     L    47_A     13   20   68     10   13   24   32   38   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     R    48_A     R    48_A     13   20   68     10   14   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     L    49_A     L    49_A     13   20   68      9   14   24   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     V    50_A     V    50_A     13   20   68     10   14   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     D    51_A     D    51_A     13   20   68     10   18   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     H    52_A     H    52_A     13   20   68     10   18   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     A    53_A     A    53_A     13   20   68     10   18   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     F    54_A     F    54_A     13   20   68     10   18   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     T    55_A     T    55_A     13   20   68     10   18   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     H    56_A     H    56_A     13   28   68     10   18   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     V    57_A     V    57_A     13   30   68      3   14   25   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     P    58_A     P    58_A     13   30   68      3    4    6   26   37   45   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     H    59_A     H    59_A      4   30   68      3    6   18   25   29   40   49   52   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     L    60_A     L    60_A      4   30   68      3    3    5   24   31   44   50   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     K    61_A     K    61_A     26   30   68      3   21   26   26   29   34   42   49   54   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     M    62_A     M    62_A     26   30   68      4   22   26   31   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     K    63_A     K    63_A     26   30   68     10   22   26   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     C    64_A     C    64_A     26   30   68     16   22   26   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     N    65_A     N    65_A     26   30   68     16   22   26   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     F    66_A     F    66_A     26   30   68     16   22   26   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     C    67_A     C    67_A     26   30   68     16   22   26   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     D    68_A     D    68_A     26   30   68      6   22   26   27   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     Y    69_A     Y    69_A     26   30   68     16   22   26   27   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     M    70_A     M    70_A     26   30   68     16   22   26   29   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     C    71_A     C    71_A     26   30   68     16   22   26   31   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     K    72_A     K    72_A     26   30   68      4   22   26   31   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     G    73_A     G    73_A     26   30   68     12   22   26   31   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     I    74_A     I    74_A     26   30   68     10   17   26   26   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     R    75_A     R    75_A     26   30   68     11   19   26   27   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     N    76_A     N    76_A     26   30   68     16   22   26   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     I    77_A     I    77_A     26   30   68     16   22   26   32   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     R    78_A     R    78_A     26   30   68     16   22   26   30   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     L    79_A     L    79_A     26   30   68     16   22   26   30   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     H    80_A     H    80_A     26   30   68     16   22   26   31   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     H    81_A     H    81_A     26   30   68     16   22   26   29   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     K    82_A     K    82_A     26   30   68     16   22   26   27   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     K    83_A     K    83_A     26   30   68     16   22   26   28   39   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     S    84_A     S    84_A     26   30   68     16   22   26   26   35   46   52   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     H    85_A     H    85_A     26   30   68     11   22   26   26   35   42   50   54   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     P    86_A     P    86_A     26   30   68      6   19   26   26   28   37   45   50   56   59   60   60   62   62   63   63   64   65   65   66 
LCS_GDT     D    87_A     D    87_A      5   29   68      3    6   10   16   25   27   30   40   47   54   57   60   61   62   63   63   64   65   65   66 
LCS_GDT     E    88_A     E    88_A      5    6   68      3    6    6    6    7   12   16   20   29   35   44   55   60   60   62   63   64   65   65   66 
LCS_GDT     Q    89_A     Q    89_A      5    7   68      3    6    6    6    7   12   15   20   23   30   37   44   48   55   61   61   63   64   65   66 
LCS_GDT     L    90_A     L    90_A      5    7   47      3    6    6    6    9   11   12   14   18   20   25   30   39   41   47   52   59   61   62   64 
LCS_GDT     T    91_A     T    91_A      4    7   33      3    4    5    6    7    9   10   12   14   16   21   23   27   31   37   43   47   52   59   62 
LCS_GDT     G    92_A     G    92_A      4    7   20      4    4    5    6    6    8    9   11   12   13   13   15   17   18   19   25   27   28   30   40 
LCS_GDT     F    93_A     F    93_A      4    7   16      4    4    5    6    6    8    9   11   12   13   13   14   15   17   20   26   27   28   30   32 
LCS_GDT     G    94_A     G    94_A      4    7   27      4    4    5    6    6    8    9   11   12   14   19   21   23   25   27   28   29   29   30   32 
LCS_GDT     I    95_A     I    95_A      5    7   27      4    4    5    6    7    9   10   14   16   20   21   22   24   25   27   28   29   29   30   32 
LCS_GDT     K    96_A     K    96_A      5    7   27      4    4    5    5    6    8    9   14   17   20   21   22   24   25   27   28   29   29   30   32 
LCS_GDT     S    97_A     S    97_A      5    5   27      4    4    5    5    5    6    7    9   11   13   17   20   22   25   26   26   29   29   30   32 
LCS_GDT     V    98_A     V    98_A      5    5   27      4    4    5    5    6    6    7   10   15   16   19   22   24   25   27   28   29   29   30   32 
LCS_GDT     V    99_A     V    99_A      5    5   27      3    4    5    5    5    6    7    8   10   12   21   22   24   25   27   28   29   29   30   32 
LCS_GDT     R   100_A     R   100_A      3    5   27      3    3    3    4    5    6    7   10   12   15   17   21   24   25   26   28   29   29   30   31 
LCS_GDT     T   101_A     T   101_A      4    6   27      4    4    4    5    7    8   10   12   17   20   21   22   24   25   27   28   29   29   30   32 
LCS_GDT     S   102_A     S   102_A      4    6   27      4    4    4    5    7   11   16   18   19   20   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     K   103_A     K   103_A      4   18   27      4    4    4    7   14   17   17   19   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     K   104_A     K   104_A     14   18   27      9   12   14   15   16   17   18   20   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     G   105_A     G   105_A     14   18   27      9   12   14   15   16   17   18   20   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     K   106_A     K   106_A     14   18   27      9   12   14   15   16   17   18   20   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     D   107_A     D   107_A     14   18   27      9   12   14   15   16   17   18   20   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     L   108_A     L   108_A     14   18   27      9   12   14   15   16   17   18   20   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     A   109_A     A   109_A     14   18   27      9   12   14   15   16   17   18   20   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     K   110_A     K   110_A     14   18   27      9   12   14   15   16   17   18   20   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     V   111_A     V   111_A     14   18   27      9   12   14   15   16   17   18   20   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     W   112_A     W   112_A     14   18   27      9   12   14   15   16   17   18   20   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     D   113_A     D   113_A     14   18   27      5   12   14   15   16   17   18   20   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     E   114_A     E   114_A     14   18   27      9   12   14   15   16   17   18   20   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     C   115_A     C   115_A     14   18   27      5   12   14   15   16   17   18   20   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     F   116_A     F   116_A     14   18   27      5   12   14   15   16   17   18   20   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     K   117_A     K   117_A     14   18   27      3   12   14   15   16   17   18   20   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     K   118_A     K   118_A     14   18   27      3    7   10   14   16   17   18   20   21   21   22   23   24   25   26   26   29   29   30   32 
LCS_GDT     N   119_A     N   119_A      4   18   27      3    6   12   15   16   17   18   20   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     R   120_A     R   120_A      4   18   27      3    6   12   14   16   17   18   20   21   21   22   23   24   25   27   28   29   29   30   32 
LCS_GDT     V   121_A     V   121_A      4   18   27      3    3    5    6   10   15   18   20   21   21   22   23   23   25   27   28   29   29   30   31 
LCS_GDT     L   122_A     L   122_A      5    7   25      2    4    5    5    9   12   16   20   21   21   22   23   23   24   27   28   29   29   30   31 
LCS_GDT     Q   123_A     Q   123_A      5    7   25      0    4    5    6    8   12   16   20   21   21   22   23   23   25   27   28   29   29   34   36 
LCS_GDT     H   124_A     H   124_A      5    7   25      2    4    5    6    8   10   12   14   16   18   21   23   23   23   26   31   35   36   40   42 
LCS_GDT     G   125_A     G   125_A      5    7   25      1    4    5    6    8   10   10   12   14   15   15   18   19   21   25   28   35   36   39   41 
LCS_GDT     S   126_A     S   126_A      5    7   25      0    3    5    6    8   10   10   12   14   15   15   18   20   23   25   31   35   36   39   41 
LCS_AVERAGE  LCS_A:  27.35  (  12.91   18.15   50.98 )

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     16     22     26     32     39     46     52     54     56     59     60     60     62     62     63     63     64     65     65     66 
GDT PERCENT_AT  15.24  20.95  24.76  30.48  37.14  43.81  49.52  51.43  53.33  56.19  57.14  57.14  59.05  59.05  60.00  60.00  60.95  61.90  61.90  62.86
GDT RMS_LOCAL    0.36   0.58   0.77   1.21   1.74   1.86   2.17   2.28   2.43   2.67   2.77   2.77   3.02   3.02   3.29   3.25   3.46   3.83   3.83   4.29
GDT RMS_ALL_AT  25.05  24.86  25.05  24.74  24.38  24.66  24.52  24.44  24.38  24.31  24.23  24.23  24.39  24.39  24.27  24.51  24.19  24.03  24.03  23.86

# Checking swapping
#   possible swapping detected:  D    32_A      D    32_A
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  Y    69_A      Y    69_A
#   possible swapping detected:  D   107_A      D   107_A
#   possible swapping detected:  E   114_A      E   114_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    11.145     0    0.305   0.504    15.600    1.071    0.536
LGA    K    23_A      K    23_A     6.662     0    0.063   1.003     8.359    9.048   30.000
LGA    V    24_A      V    24_A     6.501     0    0.102   1.041     9.706   22.024   15.510
LGA    H    25_A      H    25_A     5.240     0    0.286   0.386    11.699   26.548   11.952
LGA    I    26_A      I    26_A     2.813     0    0.592   0.818     6.580   57.262   46.726
LGA    I    27_A      I    27_A     1.774     0    0.021   0.694     2.707   79.643   75.357
LGA    K    28_A      K    28_A     1.147     0    0.150   1.403     6.136   81.429   59.683
LGA    C    29_A      C    29_A     1.147     0    0.070   0.088     1.205   85.952   84.444
LGA    H    30_A      H    30_A     1.252     0    0.277   1.304     7.329   79.286   51.714
LGA    F    31_A      F    31_A     1.305     0    0.075   1.021     3.203   79.286   72.035
LGA    D    32_A      D    32_A     2.547     0    0.210   1.179     5.385   71.071   57.619
LGA    K    33_A      K    33_A     2.311     0    0.065   1.333     4.404   64.762   63.545
LGA    C    34_A      C    34_A     1.973     0    0.060   0.674     2.124   70.833   73.095
LGA    N    35_A      N    35_A     1.506     0    0.315   1.114     5.068   70.833   58.214
LGA    K    36_A      K    36_A     1.066     0    0.059   0.864     2.103   81.429   75.820
LGA    S    37_A      S    37_A     1.119     0    0.025   0.691     2.595   81.548   77.460
LGA    Y    38_A      Y    38_A     2.000     0    0.059   0.218     2.701   62.976   80.714
LGA    N    39_A      N    39_A     3.155     0    0.608   1.057     6.703   44.167   36.369
LGA    W    40_A      W    40_A     3.176     0    0.118   0.992     8.362   37.143   34.014
LGA    R    41_A      R    41_A     7.188     0    0.103   1.642    17.085   16.667    6.190
LGA    K    42_A      K    42_A     6.594     0    0.604   1.128     8.630    7.262   25.344
LGA    K    43_A      K    43_A    12.123     0    0.137   1.699    16.203    0.000    0.000
LGA    Y    44_A      Y    44_A     9.867     0    0.652   1.326    15.873    4.405    1.468
LGA    G    45_A      G    45_A     2.828     0    0.674   0.674     5.362   57.381   57.381
LGA    K    46_A      K    46_A     2.737     0    0.305   1.102     5.495   59.167   48.519
LGA    L    47_A      L    47_A     2.338     0    0.038   1.153     3.882   66.905   60.357
LGA    R    48_A      R    48_A     1.687     0    0.077   1.434     4.163   77.381   63.593
LGA    L    49_A      L    49_A     1.787     0    0.030   1.477     5.522   75.000   56.845
LGA    V    50_A      V    50_A     1.659     0    0.030   0.973     2.544   77.143   71.905
LGA    D    51_A      D    51_A     0.991     0    0.050   0.868     3.448   88.214   78.750
LGA    H    52_A      H    52_A     0.589     0    0.037   0.110     1.583   90.476   86.905
LGA    A    53_A      A    53_A     1.026     0    0.024   0.035     1.189   83.690   83.238
LGA    F    54_A      F    54_A     0.796     0    0.049   0.795     2.542   90.476   82.641
LGA    T    55_A      T    55_A     0.716     0    0.166   1.119     2.974   90.476   82.041
LGA    H    56_A      H    56_A     1.258     0    0.290   0.374     2.261   77.262   78.048
LGA    V    57_A      V    57_A     1.012     0    0.072   0.967     4.153   75.119   69.116
LGA    P    58_A      P    58_A     3.361     0    0.673   0.615     4.825   47.381   47.823
LGA    H    59_A      H    59_A     5.067     0    0.606   1.086    12.281   27.976   12.952
LGA    L    60_A      L    60_A     3.858     0    0.086   0.909     5.709   37.500   33.274
LGA    K    61_A      K    61_A     5.850     0    0.616   0.774    13.074   30.357   13.810
LGA    M    62_A      M    62_A     3.455     0    0.085   0.969     4.947   50.357   47.024
LGA    K    63_A      K    63_A     2.059     0    0.098   0.699     2.524   66.905   69.312
LGA    C    64_A      C    64_A     0.986     0    0.049   0.050     1.332   88.214   90.556
LGA    N    65_A      N    65_A     0.865     0    0.224   0.921     4.161   88.214   74.048
LGA    F    66_A      F    66_A     0.995     0    0.245   1.391     9.806   79.881   42.944
LGA    C    67_A      C    67_A     1.376     0    0.088   0.789     2.348   79.405   77.302
LGA    D    68_A      D    68_A     3.227     0    0.240   0.739     5.509   51.786   43.274
LGA    Y    69_A      Y    69_A     2.683     0    0.052   1.325     8.198   59.048   45.198
LGA    M    70_A      M    70_A     3.043     0    0.024   0.988     4.268   51.786   46.012
LGA    C    71_A      C    71_A     3.126     0    0.071   0.805     3.400   50.000   56.746
LGA    K    72_A      K    72_A     2.858     0    0.637   0.697     7.289   47.619   35.026
LGA    G    73_A      G    73_A     2.598     0    0.110   0.110     2.598   64.881   64.881
LGA    I    74_A      I    74_A     2.597     0    0.021   1.443     6.380   60.952   52.619
LGA    R    75_A      R    75_A     2.614     0    0.024   0.955     5.039   65.000   56.017
LGA    N    76_A      N    76_A     1.092     0    0.058   0.169     2.657   86.190   78.631
LGA    I    77_A      I    77_A     1.023     0    0.067   0.943     3.056   81.429   74.286
LGA    R    78_A      R    78_A     2.212     0    0.022   0.797     6.146   66.786   40.823
LGA    L    79_A      L    79_A     1.757     0    0.060   0.976     5.100   72.857   60.714
LGA    H    80_A      H    80_A     1.419     0    0.035   0.144     2.135   75.119   78.095
LGA    H    81_A      H    81_A     2.302     0    0.044   0.966     3.740   61.190   64.571
LGA    K    82_A      K    82_A     3.275     0    0.024   0.834     4.175   50.119   47.143
LGA    K    83_A      K    83_A     3.272     0    0.098   1.141     4.079   48.333   51.376
LGA    S    84_A      S    84_A     3.485     0    0.159   0.664     4.256   45.119   50.397
LGA    H    85_A      H    85_A     4.419     0    0.487   0.506     7.961   27.262   56.190
LGA    P    86_A      P    86_A     6.782     0    0.646   0.601    11.123   10.238   25.918
LGA    D    87_A      D    87_A    11.559     0    0.136   1.227    15.919    0.357    0.655
LGA    E    88_A      E    88_A    15.711     0    0.246   0.985    17.096    0.000    0.000
LGA    Q    89_A      Q    89_A    19.630     0    0.650   1.225    23.884    0.000    0.000
LGA    L    90_A      L    90_A    22.686     0    0.635   1.284    23.237    0.000    0.000
LGA    T    91_A      T    91_A    24.447     0    0.388   0.913    27.528    0.000    0.000
LGA    G    92_A      G    92_A    27.675     0    0.144   0.144    30.343    0.000    0.000
LGA    F    93_A      F    93_A    33.602     0    0.084   0.162    35.603    0.000    0.000
LGA    G    94_A      G    94_A    37.728     0    0.304   0.304    40.709    0.000    0.000
LGA    I    95_A      I    95_A    41.252     0    0.686   1.427    43.355    0.000    0.000
LGA    K    96_A      K    96_A    47.238     0    0.289   1.051    54.120    0.000    0.000
LGA    S    97_A      S    97_A    48.269     0    0.161   0.649    49.225    0.000    0.000
LGA    V    98_A      V    98_A    43.711     0    0.030   0.125    45.203    0.000    0.000
LGA    V    99_A      V    99_A    44.870     0    0.360   1.314    48.988    0.000    0.000
LGA    R   100_A      R   100_A    44.046     0    0.689   1.107    47.172    0.000    0.000
LGA    T   101_A      T   101_A    38.636     0    0.709   1.424    40.089    0.000    0.000
LGA    S   102_A      S   102_A    33.690     0    0.085   0.135    35.349    0.000    0.000
LGA    K   103_A      K   103_A    32.386     0    0.057   0.967    33.138    0.000    0.000
LGA    K   104_A      K   104_A    30.884     4    0.565   0.568    32.318    0.000    0.000
LGA    G   105_A      G   105_A    33.095     0    0.030   0.030    34.793    0.000    0.000
LGA    K   106_A      K   106_A    35.016     0    0.031   0.940    36.122    0.000    0.000
LGA    D   107_A      D   107_A    34.345     0    0.042   1.070    35.410    0.000    0.000
LGA    L   108_A      L   108_A    34.682     0    0.041   1.053    36.474    0.000    0.000
LGA    A   109_A      A   109_A    37.465     0    0.064   0.063    39.624    0.000    0.000
LGA    K   110_A      K   110_A    38.887     0    0.027   1.257    40.322    0.000    0.000
LGA    V   111_A      V   111_A    38.321     0    0.072   1.220    39.911    0.000    0.000
LGA    W   112_A      W   112_A    40.076     0    0.043   1.192    44.201    0.000    0.000
LGA    D   113_A      D   113_A    43.715     0    0.029   1.081    45.437    0.000    0.000
LGA    E   114_A      E   114_A    43.200     0    0.116   0.605    44.670    0.000    0.000
LGA    C   115_A      C   115_A    42.932     0    0.036   0.796    45.354    0.000    0.000
LGA    F   116_A      F   116_A    45.272     0    0.622   1.182    46.392    0.000    0.000
LGA    K   117_A      K   117_A    47.958     0    0.324   1.122    50.568    0.000    0.000
LGA    K   118_A      K   118_A    52.244     0    0.194   1.489    55.251    0.000    0.000
LGA    N   119_A      N   119_A    50.102     0    0.215   1.112    50.412    0.000    0.000
LGA    R   120_A      R   120_A    50.787     6    0.647   0.608    52.092    0.000    0.000
LGA    V   121_A      V   121_A    45.850     0    0.721   0.623    47.141    0.000    0.000
LGA    L   122_A      L   122_A    41.540     0    0.671   1.407    42.959    0.000    0.000
LGA    Q   123_A      Q   123_A    42.857     0    0.142   1.276    48.667    0.000    0.000
LGA    H   124_A      H   124_A    40.497     0    0.603   1.209    42.414    0.000    0.000
LGA    G   125_A      G   125_A    44.549     0    0.680   0.680    45.888    0.000    0.000
LGA    S   126_A      S   126_A    45.314     0    0.195   0.697    46.727    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):    17.291         17.196                 18.160           36.339   33.283

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0     54    2.28    40.714    37.491     2.272

LGA_LOCAL      RMSD:   2.277  Number of atoms:   54  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.445  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:  17.291  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.134298 * X  +  -0.893691 * Y  +   0.428112 * Z  +   7.461914
  Y_new =   0.890559 * X  +  -0.298320 * Y  +  -0.343380 * Z  + -57.477070
  Z_new =   0.434590 * X  +   0.335144 * Y  +   0.835949 * Z  +  -7.158261 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.720471 -0.449583  0.381295   [DEG:   98.5757  -25.7592   21.8466 ]
ZXZ:  0.894789  0.580937  0.913881   [DEG:   51.2676   33.2853   52.3616 ]
 
# END of job
