
#######################################################
#                                                     #
#                        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  132 ( 1136),  selected  124 , name one
# Molecule2: number of CA atoms  124 ( 1059),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:D  -ch2:D  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    66       2_D - 67_D        4.80    27.48
  LCS_AVERAGE:     41.26

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      94_D - 125_D       1.77    19.21
  LCS_AVERAGE:     18.38

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      95_D - 123_D       0.95    19.34
  LCS_AVERAGE:     13.72

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     D     2_D     D     2_D      0   23   66      0    0    3    6   12   16   22   27   39   43   48   50   52   54   58   61   63   65   65   66 
LCS_GDT     K     3_D     K     3_D      6   23   66      3    3    6   12   20   30   34   37   47   48   49   51   53   56   59   62   64   65   65   66 
LCS_GDT     E     4_D     E     4_D      6   23   66      3    5    8   12   19   22   28   36   40   48   49   51   53   57   60   62   64   65   65   66 
LCS_GDT     I     5_D     I     5_D     17   23   66      3    8   15   20   21   30   34   36   47   48   49   51   55   57   60   62   64   65   65   66 
LCS_GDT     A     6_D     A     6_D     19   23   66      3    9   19   20   30   45   46   47   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     K     7_D     K     7_D     19   23   66      4   17   27   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     E     8_D     E     8_D     19   23   66      6   17   23   27   39   45   46   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     I     9_D     I     9_D     19   23   66      8   17   23   33   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     F    10_D     F    10_D     19   23   66      5   17   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     N    11_D     N    11_D     19   23   66      8   17   23   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     M    12_D     M    12_D     19   23   66      8   17   23   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     M    13_D     M    13_D     19   23   66      8   20   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     F    14_D     F    14_D     19   23   66     13   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     M    15_D     M    15_D     19   23   66      8   17   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     L    16_D     L    16_D     19   23   66     14   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     L    17_D     L    17_D     19   23   66      8   17   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     W    18_D     W    18_D     19   23   66      7   17   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     R    19_D     R    19_D     19   23   66     14   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     V    20_D     V    20_D     19   23   66      8   19   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     F    21_D     F    21_D     19   23   66      7   17   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     R    22_D     R    22_D     19   23   66      7   17   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     S    23_D     S    23_D     19   23   66      6   14   25   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     Q    24_D     Q    24_D     19   23   66      7   17   25   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     R    25_D     R    25_D      3   23   66      3    3    4   25   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     I    26_D     I    26_D      3    5   66      3    3    3   17   21   29   36   44   48   50   51   52   53   57   60   62   64   65   65   66 
LCS_GDT     D    27_D     D    27_D      4    6   66      3    3    4    5    8   12   16   20   30   41   51   52   53   57   60   62   64   65   65   66 
LCS_GDT     A    28_D     A    28_D      4   31   66      3    3    4    5    8   14   18   26   35   43   51   52   53   54   59   62   64   65   65   66 
LCS_GDT     N    29_D     N    29_D      4   31   66      3    3    4    7   18   30   39   45   48   49   51   53   54   57   60   62   64   65   65   66 
LCS_GDT     N    30_D     N    30_D     25   31   66      4   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     V    31_D     V    31_D     25   31   66     10   21   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     E    32_D     E    32_D     25   31   66     11   21   26   35   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     L    33_D     L    33_D     25   31   66     11   18   24   32   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     I    34_D     I    34_D     25   31   66     11   21   27   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     K    35_D     K    35_D     25   31   66     12   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     F    36_D     F    36_D     25   31   66     12   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     N    37_D     N    37_D     25   31   66     11   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     I    38_D     I    38_D     25   31   66     11   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     R    39_D     R    39_D     25   31   66     14   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     V    40_D     V    40_D     25   31   66     14   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     L    41_D     L    41_D     25   31   66     14   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     D    42_D     D    42_D     25   31   66     14   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     W    43_D     W    43_D     25   31   66     14   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     I    44_D     I    44_D     25   31   66     14   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     M    45_D     M    45_D     25   31   66     14   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     A    46_D     A    46_D     25   31   66     14   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     E    47_D     E    47_D     25   31   66     14   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     A    48_D     A    48_D     25   31   66     14   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     D    49_D     D    49_D     25   31   66     14   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     N    50_D     N    50_D     25   31   66     12   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     D    51_D     D    51_D     25   31   66     14   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     L    52_D     L    52_D     25   31   66      7   22   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     C    53_D     C    53_D     25   31   66      7   19   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     Y    54_D     Y    54_D     25   31   66      5   19   28   36   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     F    55_D     F    55_D     22   31   66      3   10   26   33   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     I    56_D     I    56_D     20   31   66      2   13   24   33   40   45   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     G    57_D     G    57_D     15   31   66      0    6   13   28   37   44   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     T    58_D     T    58_D      4   31   66      3    8   20   28   37   44   47   48   49   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     H    59_D     H    59_D      4   31   66      3    3    4    5   22   31   35   38   47   50   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     D    60_D     D    60_D      4   31   66      3    3    7   13   24   28   34   38   44   49   51   53   55   57   60   62   64   65   65   66 
LCS_GDT     K    61_D     K    61_D      4    6   66      3    3    4    5    6    9   13   29   32   40   47   51   53   54   58   61   64   65   65   66 
LCS_GDT     C    62_D     C    62_D      4    6   66      3    3   15   20   22   28   32   38   41   46   50   53   55   57   60   62   64   65   65   66 
LCS_GDT     E    63_D     E    63_D      4    6   66      4    4    4   20   21   28   32   38   41   46   50   53   55   57   60   62   64   65   65   66 
LCS_GDT     N    64_D     N    64_D      4    6   66      4    4    4    7   11   22   23   38   41   46   50   53   55   57   60   62   64   65   65   66 
LCS_GDT     P    65_D     P    65_D      4    6   66      4    4    4    5    5    7   10   15   22   33   37   44   50   57   59   62   64   65   65   66 
LCS_GDT     K    66_D     K    66_D      4    6   66      4    4    8    9   12   17   28   31   35   41   46   51   54   57   60   62   64   65   65   66 
LCS_GDT     E    67_D     E    67_D      3    6   66      3    3    4    5    7   12   13   20   23   29   34   38   40   47   52   57   60   63   65   66 
LCS_GDT     Q    68_D     Q    68_D      3    6   43      3    3    3    5    6    9   13   15   16   20   26   30   33   39   43   45   50   51   56   60 
LCS_GDT     W    69_D     W    69_D      3    9   42      3    3    8    8    9   10   13   15   17   20   26   30   33   38   42   45   48   51   53   57 
LCS_GDT     V    70_D     V    70_D      5    9   27      3    4    8    8    9   10   13   15   17   20   26   30   33   39   43   45   48   50   52   55 
LCS_GDT     A    71_D     A    71_D      5    9   24      3    4    8    8    9   10   12   15   17   20   26   30   33   39   43   45   48   50   52   55 
LCS_GDT     N    72_D     N    72_D      5    9   19      4    5    8    8    9   10   12   15   17   20   26   28   33   39   43   45   48   50   52   55 
LCS_GDT     Y    73_D     Y    73_D      5    9   19      4    5    8    8    9   10   12   15   17   22   26   30   33   39   43   45   48   50   52   55 
LCS_GDT     Q    74_D     Q    74_D      5    9   19      4    5    8    8    9   10   12   15   17   20   26   30   33   39   43   45   48   50   52   55 
LCS_GDT     N    75_D     N    75_D      5    9   19      4    5    8    8    9   10   12   15   17   20   26   30   33   39   43   45   48   50   52   55 
LCS_GDT     L    76_D     L    76_D      5    9   19      4    5    8    8    9   10   12   15   17   21   26   30   33   39   43   45   48   50   52   55 
LCS_GDT     N    77_D     N    77_D      4    9   19      3    4    4    5    9    9   12   15   17   22   26   30   33   39   43   45   50   52   54   56 
LCS_GDT     N    78_D     N    78_D      4    7   19      4    4    4    5    6    9   12   15   17   18   22   25   33   40   45   48   50   52   54   56 
LCS_GDT     V    79_D     V    79_D      4    7   19      4    4    4    5    7   10   12   15   17   18   22   25   30   35   40   45   48   50   52   55 
LCS_GDT     V    80_D     V    80_D      4    7   32      4    4    4    5    7   10   12   15   17   18   20   30   39   41   45   48   50   52   54   56 
LCS_GDT     F    81_D     F    81_D      4    7   32      4    4    4    5    9   14   21   24   32   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     T    82_D     T    82_D      4    7   32      3    4    5    8   16   18   21   28   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     N    83_D     N    83_D      4    5   32      3    4    4    8   11   17   21   29   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     K    84_D     K    84_D      4    5   32      3    4    5    8   11   17   21   28   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     E    85_D     E    85_D      3    4   32      3    4    4    4    4    6    6   13   20   23   25   32   39   41   45   48   50   52   54   56 
LCS_GDT     L    86_D     L    86_D      4    5   32      2    4    4    6    6    8   12   15   20   22   25   27   31   40   45   48   50   52   54   56 
LCS_GDT     E    87_D     E    87_D      4    5   32      3    4    4    6    6    9   12   15   19   21   23   27   30   34   39   48   50   51   54   56 
LCS_GDT     D    88_D     D    88_D      4    5   38      3    3    4    6    6    8   12   15   19   22   23   27   31   40   45   48   50   52   54   56 
LCS_GDT     I    89_D     I    89_D      4    5   38      3    3    4    6    6    8   12   15   20   22   25   30   39   41   45   48   50   52   54   56 
LCS_GDT     Y    90_D     Y    90_D      3    5   38      3    3    3    4    6    7   12   14   16   19   21   27   30   32   35   48   50   52   54   56 
LCS_GDT     D    91_D     D    91_D      3    5   38      3    3    3    4    6    6   12   14   16   19   21   27   30   32   45   48   50   52   54   56 
LCS_GDT     L    92_D     L    92_D      3    4   38      3    3    3    4    4    5    7    9   12   12   16   17   23   25   32   37   45   48   51   55 
LCS_GDT     S    93_D     S    93_D      4    4   38      3    3    4    4    5    6    9   14   16   19   21   30   37   40   45   48   50   52   54   56 
LCS_GDT     N    94_D     N    94_D      4   32   38      3    3    4    4    4    9   16   21   30   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     K    95_D     K    95_D     29   32   38      6   12   25   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     E    96_D     E    96_D     29   32   38      7   15   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     E    97_D     E    97_D     29   32   38      7   21   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     T    98_D     T    98_D     29   32   38     10   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     K    99_D     K    99_D     29   32   38      8   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     E   100_D     E   100_D     29   32   38     10   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     V   101_D     V   101_D     29   32   38     10   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     L   102_D     L   102_D     29   32   38     10   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     K   103_D     K   103_D     29   32   38     10   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     K   104_D     K   104_D     29   32   38     10   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     F   105_D     F   105_D     29   32   38      8   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     K   106_D     K   106_D     29   32   38      8   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     E   107_D     E   107_D     29   32   38      5   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     K   108_D     K   108_D     29   32   38      5   18   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     V   109_D     V   109_D     29   32   38      5   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     N   110_D     N   110_D     29   32   38     10   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     Q   111_D     Q   111_D     29   32   38     10   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     F   112_D     F   112_D     29   32   38      9   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     Y   113_D     Y   113_D     29   32   38      9   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     R   114_D     R   114_D     29   32   38      9   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     H   115_D     H   115_D     29   32   38      9   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     A   116_D     A   116_D     29   32   38      9   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     F   117_D     F   117_D     29   32   38     10   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     D   118_D     D   118_D     29   32   38     10   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     I   119_D     I   119_D     29   32   38      9   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     I   120_D     I   120_D     29   32   38      7   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     N   121_D     N   121_D     29   32   38      8   24   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     K   122_D     K   122_D     29   32   38      6   18   29   30   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     Y   123_D     Y   123_D     29   32   38      9   24   29   30   31   31   31   31   34   36   37   37   39   41   43   48   50   52   54   55 
LCS_GDT     G   124_D     G   124_D     28   32   38      3    4   11   28   31   31   31   31   34   36   37   37   39   41   45   48   50   52   54   56 
LCS_GDT     L   125_D     L   125_D      3   32   38      2   21   29   30   31   31   31   31   34   36   37   37   39   41   43   46   50   52   54   55 
LCS_AVERAGE  LCS_A:  24.45  (  13.72   18.38   41.26 )

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     24     29     36     40     45     47     48     49     50     51     53     55     57     60     62     64     65     65     66 
GDT PERCENT_AT  11.29  19.35  23.39  29.03  32.26  36.29  37.90  38.71  39.52  40.32  41.13  42.74  44.35  45.97  48.39  50.00  51.61  52.42  52.42  53.23
GDT RMS_LOCAL    0.36   0.70   0.87   1.17   1.35   1.59   1.74   1.83   1.92   2.18   2.27   2.90   3.18   3.42   3.89   4.15   4.35   4.48   4.48   4.80
GDT RMS_ALL_AT  27.38  19.53  19.41  27.20  27.08  27.02  27.06  27.05  27.02  27.18  26.96  27.50  27.54  27.48  27.50  27.47  27.56  27.52  27.52  27.48

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  E     4_D      E     4_D
#   possible swapping detected:  E     8_D      E     8_D
#   possible swapping detected:  F    14_D      F    14_D
#   possible swapping detected:  F    21_D      F    21_D
#   possible swapping detected:  E    32_D      E    32_D
#   possible swapping detected:  D    42_D      D    42_D
#   possible swapping detected:  E    47_D      E    47_D
#   possible swapping detected:  D    49_D      D    49_D
#   possible swapping detected:  D    51_D      D    51_D
#   possible swapping detected:  D    60_D      D    60_D
#   possible swapping detected:  E    63_D      E    63_D
#   possible swapping detected:  E    67_D      E    67_D
#   possible swapping detected:  F    81_D      F    81_D
#   possible swapping detected:  D    88_D      D    88_D
#   possible swapping detected:  D    91_D      D    91_D
#   possible swapping detected:  E   100_D      E   100_D
#   possible swapping detected:  F   105_D      F   105_D
#   possible swapping detected:  Y   113_D      Y   113_D
#   possible swapping detected:  D   118_D      D   118_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D    11.267     0    0.390   0.887    13.912    0.000    0.000
LGA    K     3_D      K     3_D     8.895     0    0.627   0.878    13.314    8.214    3.968
LGA    E     4_D      E     4_D     8.565     0    0.246   0.421    11.242    5.714    2.593
LGA    I     5_D      I     5_D     8.112     0    0.072   0.135    13.673   10.952    5.476
LGA    A     6_D      A     6_D     4.660     0    0.065   0.078     5.775   38.214   38.000
LGA    K     7_D      K     7_D     2.680     0    0.174   0.793     9.750   55.357   34.392
LGA    E     8_D      E     8_D     4.192     0    0.055   0.166     6.794   41.786   29.259
LGA    I     9_D      I     9_D     3.270     0    0.007   0.105     4.399   53.810   47.857
LGA    F    10_D      F    10_D     1.780     0    0.072   1.470     6.398   70.833   55.801
LGA    N    11_D      N    11_D     2.421     0    0.068   0.932     4.805   64.762   54.226
LGA    M    12_D      M    12_D     2.329     0    0.054   0.884     3.547   68.810   59.464
LGA    M    13_D      M    13_D     1.311     0    0.038   0.852     2.137   83.810   78.393
LGA    F    14_D      F    14_D     0.580     0    0.072   0.494     2.350   88.214   84.156
LGA    M    15_D      M    15_D     1.602     0    0.052   1.157     6.089   79.286   60.060
LGA    L    16_D      L    16_D     0.415     0    0.071   1.409     3.216   95.238   83.452
LGA    L    17_D      L    17_D     1.258     0    0.053   1.352     5.289   83.690   67.619
LGA    W    18_D      W    18_D     1.488     0    0.031   1.115     8.488   81.429   42.585
LGA    R    19_D      R    19_D     0.634     0    0.048   1.102     4.189   95.238   75.671
LGA    V    20_D      V    20_D     1.212     0    0.071   0.122     2.246   77.381   74.286
LGA    F    21_D      F    21_D     1.995     0    0.062   0.480     3.284   70.833   62.900
LGA    R    22_D      R    22_D     1.809     0    0.142   1.006     6.461   68.929   53.636
LGA    S    23_D      S    23_D     2.160     0    0.331   0.304     2.490   72.976   70.238
LGA    Q    24_D      Q    24_D     2.709     0    0.578   1.122     6.796   53.690   39.101
LGA    R    25_D      R    25_D     2.691     0    0.639   0.996    13.498   55.476   23.506
LGA    I    26_D      I    26_D     7.011     0    0.556   0.514    11.491   11.548    6.369
LGA    D    27_D      D    27_D     8.729     0    0.572   1.258    11.996    3.810    2.500
LGA    A    28_D      A    28_D     8.792     0    0.623   0.622    10.482    6.190    4.952
LGA    N    29_D      N    29_D     6.368     0    0.037   0.772    10.409   20.833   13.750
LGA    N    30_D      N    30_D     1.434     0    0.546   0.828     3.389   69.286   70.357
LGA    V    31_D      V    31_D     1.573     0    0.052   0.112     1.649   72.857   75.306
LGA    E    32_D      E    32_D     1.991     0    0.049   1.268     4.840   68.810   56.561
LGA    L    33_D      L    33_D     2.665     0    0.057   0.749     6.157   62.857   49.107
LGA    I    34_D      I    34_D     1.925     0    0.064   0.105     2.523   75.119   71.012
LGA    K    35_D      K    35_D     0.889     0    0.070   0.641     2.011   88.214   84.656
LGA    F    36_D      F    36_D     1.146     0    0.081   0.347     1.624   85.952   85.628
LGA    N    37_D      N    37_D     1.184     0    0.077   0.091     2.557   85.952   75.417
LGA    I    38_D      I    38_D     1.052     0    0.043   0.290     1.684   83.690   81.488
LGA    R    39_D      R    39_D     0.776     0    0.067   0.981     2.478   90.476   81.688
LGA    V    40_D      V    40_D     0.491     0    0.017   0.047     0.606   92.857   93.197
LGA    L    41_D      L    41_D     0.522     0    0.028   1.280     2.663   90.476   81.964
LGA    D    42_D      D    42_D     0.921     0    0.065   0.315     1.246   90.476   88.214
LGA    W    43_D      W    43_D     0.785     0    0.049   0.204     0.996   90.476   90.476
LGA    I    44_D      I    44_D     0.830     0    0.061   0.095     1.002   90.476   90.536
LGA    M    45_D      M    45_D     0.944     0    0.028   0.907     4.116   85.952   75.357
LGA    A    46_D      A    46_D     0.995     0    0.067   0.062     1.041   88.214   86.857
LGA    E    47_D      E    47_D     1.099     0    0.059   0.212     1.617   85.952   84.497
LGA    A    48_D      A    48_D     1.064     0    0.039   0.046     1.245   85.952   85.048
LGA    D    49_D      D    49_D     0.623     0    0.031   0.229     1.636   95.238   90.655
LGA    N    50_D      N    50_D     0.366     0    0.038   0.135     0.764   97.619   96.429
LGA    D    51_D      D    51_D     0.464     0    0.058   0.153     1.521   97.619   89.583
LGA    L    52_D      L    52_D     0.716     0    0.035   0.120     2.487   90.476   81.726
LGA    C    53_D      C    53_D     0.981     0    0.064   0.722     3.402   88.214   82.222
LGA    Y    54_D      Y    54_D     1.065     0    0.642   0.891     3.477   75.833   69.246
LGA    F    55_D      F    55_D     2.432     0    0.375   1.433    11.738   75.119   32.771
LGA    I    56_D      I    56_D     2.596     0    0.331   0.723     2.762   60.952   60.000
LGA    G    57_D      G    57_D     3.468     0    0.295   0.295     4.003   46.786   46.786
LGA    T    58_D      T    58_D     3.790     0    0.307   1.055     5.523   34.881   39.728
LGA    H    59_D      H    59_D     7.824     0    0.051   1.060    13.833    7.857    3.286
LGA    D    60_D      D    60_D     8.991     0    0.400   1.119    11.517    2.738    1.369
LGA    K    61_D      K    61_D    11.422     0    0.453   1.409    15.995    0.000    0.000
LGA    C    62_D      C    62_D    10.586     0    0.596   0.792    11.242    0.119    0.238
LGA    E    63_D      E    63_D    10.727     0    0.582   1.362    14.621    0.000    0.000
LGA    N    64_D      N    64_D    10.453     0    0.221   0.823    12.109    0.000    1.310
LGA    P    65_D      P    65_D    12.169     0    0.337   0.315    14.603    0.000    0.000
LGA    K    66_D      K    66_D    12.265     0    0.563   0.751    14.739    0.000    0.000
LGA    E    67_D      E    67_D    18.734     0    0.630   1.348    21.267    0.000    0.000
LGA    Q    68_D      Q    68_D    20.915     0    0.644   0.689    23.867    0.000    0.000
LGA    W    69_D      W    69_D    22.411     0    0.655   0.624    23.718    0.000    0.000
LGA    V    70_D      V    70_D    26.314     0    0.077   0.101    29.571    0.000    0.000
LGA    A    71_D      A    71_D    32.018     0    0.600   0.592    33.637    0.000    0.000
LGA    N    72_D      N    72_D    32.319     0    0.411   0.394    35.063    0.000    0.000
LGA    Y    73_D      Y    73_D    30.332     0    0.117   1.592    33.927    0.000    0.000
LGA    Q    74_D      Q    74_D    36.799     0    0.128   0.563    43.048    0.000    0.000
LGA    N    75_D      N    75_D    39.588     0    0.191   0.266    41.899    0.000    0.000
LGA    L    76_D      L    76_D    36.029     0    0.118   0.546    37.595    0.000    0.000
LGA    N    77_D      N    77_D    40.414     0    0.505   0.762    44.148    0.000    0.000
LGA    N    78_D      N    78_D    42.815     0    0.481   1.413    44.043    0.000    0.000
LGA    V    79_D      V    79_D    39.098     0    0.094   1.056    39.957    0.000    0.000
LGA    V    80_D      V    80_D    37.089     0    0.052   0.059    38.598    0.000    0.000
LGA    F    81_D      F    81_D    41.774     0    0.499   1.476    45.806    0.000    0.000
LGA    T    82_D      T    82_D    47.402     0    0.681   0.568    48.475    0.000    0.000
LGA    N    83_D      N    83_D    49.445     0    0.264   0.873    54.380    0.000    0.000
LGA    K    84_D      K    84_D    51.017     0    0.613   0.488    54.602    0.000    0.000
LGA    E    85_D      E    85_D    47.393     0    0.596   0.573    49.855    0.000    0.000
LGA    L    86_D      L    86_D    43.060     0    0.628   0.957    44.644    0.000    0.000
LGA    E    87_D      E    87_D    47.492     0    0.610   0.923    54.190    0.000    0.000
LGA    D    88_D      D    88_D    46.735     0    0.398   0.410    51.550    0.000    0.000
LGA    I    89_D      I    89_D    39.966     0    0.204   1.384    42.619    0.000    0.000
LGA    Y    90_D      Y    90_D    40.808     0    0.686   1.152    45.491    0.000    0.000
LGA    D    91_D      D    91_D    45.963     0    0.495   1.272    47.509    0.000    0.000
LGA    L    92_D      L    92_D    44.777     0    0.082   1.389    46.722    0.000    0.000
LGA    S    93_D      S    93_D    43.298     0    0.713   0.616    43.534    0.000    0.000
LGA    N    94_D      N    94_D    42.029     0    0.248   1.226    44.477    0.000    0.000
LGA    K    95_D      K    95_D    42.566     0    0.567   1.051    49.235    0.000    0.000
LGA    E    96_D      E    96_D    40.024     0    0.043   1.335    45.743    0.000    0.000
LGA    E    97_D      E    97_D    32.519     0    0.046   1.059    35.236    0.000    0.000
LGA    T    98_D      T    98_D    33.573     0    0.077   1.062    36.094    0.000    0.000
LGA    K    99_D      K    99_D    38.293     0    0.037   0.831    48.502    0.000    0.000
LGA    E   100_D      E   100_D    33.727     0    0.037   1.099    37.070    0.000    0.000
LGA    V   101_D      V   101_D    28.451     0    0.080   0.805    30.319    0.000    0.000
LGA    L   102_D      L   102_D    33.146     0    0.027   1.298    35.647    0.000    0.000
LGA    K   103_D      K   103_D    36.223     0    0.079   0.881    44.950    0.000    0.000
LGA    K   104_D      K   104_D    30.243     0    0.040   0.522    32.176    0.000    0.000
LGA    F   105_D      F   105_D    27.977     0    0.052   1.417    29.962    0.000    0.000
LGA    K   106_D      K   106_D    34.516     0    0.056   0.632    46.149    0.000    0.000
LGA    E   107_D      E   107_D    35.727     0    0.092   1.048    37.800    0.000    0.000
LGA    K   108_D      K   108_D    29.669     0    0.047   1.174    31.409    0.000    0.000
LGA    V   109_D      V   109_D    30.083     0    0.088   0.945    32.620    0.000    0.000
LGA    N   110_D      N   110_D    37.335     0    0.112   0.127    41.825    0.000    0.000
LGA    Q   111_D      Q   111_D    35.749     0    0.068   1.176    36.031    0.000    0.000
LGA    F   112_D      F   112_D    30.864     0    0.626   1.473    33.464    0.000    0.000
LGA    Y   113_D      Y   113_D    35.838     0    0.111   1.648    39.922    0.000    0.000
LGA    R   114_D      R   114_D    40.814     0    0.053   1.412    45.489    0.000    0.000
LGA    H   115_D      H   115_D    36.576     0    0.061   1.061    37.450    0.000    0.000
LGA    A   116_D      A   116_D    34.153     0    0.028   0.029    36.981    0.000    0.000
LGA    F   117_D      F   117_D    40.588     0    0.085   1.057    43.601    0.000    0.000
LGA    D   118_D      D   118_D    43.963     0    0.045   0.157    47.256    0.000    0.000
LGA    I   119_D      I   119_D    39.881     0    0.035   0.160    41.928    0.000    0.000
LGA    I   120_D      I   120_D    41.205     0    0.050   0.088    45.145    0.000    0.000
LGA    N   121_D      N   121_D    48.452     0    0.031   0.912    51.903    0.000    0.000
LGA    K   122_D      K   122_D    49.037     0    0.015   0.673    50.644    0.000    0.000
LGA    Y   123_D      Y   123_D    46.322     0    0.158   1.477    47.078    0.000    0.000
LGA    G   124_D      G   124_D    46.839     0    0.744   0.744    47.071    0.000    0.000
LGA    L   125_D      L   125_D    49.584     0    0.260   0.961    52.234    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00    1059   1059  100.00               124
SUMMARY(RMSD_GDC):    14.891         14.845                 15.667           30.843   27.233

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     48    1.83    34.274    31.130     2.488

LGA_LOCAL      RMSD:   1.829  Number of atoms:   48  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  27.047  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  14.891  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.415382 * X  +  -0.893711 * Y  +   0.169523 * Z  +  21.191437
  Y_new =   0.416260 * X  +   0.021048 * Y  +  -0.909002 * Z  +   5.969111
  Z_new =   0.808817 * X  +   0.448149 * Y  +   0.380759 * Z  +  52.112175 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.786453 -0.942138  0.866519   [DEG:   45.0605  -53.9805   49.6479 ]
ZXZ:  0.184375  1.180179  1.064827   [DEG:   10.5639   67.6193   61.0101 ]
 
# END of job
