
#######################################################
#                                                     #
#                        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  123 (  978),  selected  123 , name one
# Molecule2: number of CA atoms  401 ( 3055),  selected  123 , 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:    47      27_A - 73_A        4.87    13.41
  LCS_AVERAGE:      9.02

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      27_A - 50_A        1.98    15.34
  LCS_AVERAGE:      3.85

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17     104_A - 120_A       0.95    20.65
  LCS_AVERAGE:      2.54

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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    27_A     N    27_A     16   24   47      7   14   15   19   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     I    28_A     I    28_A     16   24   47      8   14   15   19   22   26   31   37   39   41   47   50   50   52   56   59   61   65   69   75 
LCS_GDT     I    29_A     I    29_A     16   24   47     10   14   15   19   22   26   30   34   39   41   47   50   50   52   56   59   61   65   69   75 
LCS_GDT     K    30_A     K    30_A     16   24   47     10   14   15   19   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     E    31_A     E    31_A     16   24   47     10   14   15   19   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     L    32_A     L    32_A     16   24   47     10   14   15   18   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     D    33_A     D    33_A     16   24   47     10   14   15   16   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     E    34_A     E    34_A     16   24   47      8   14   15   16   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     K    35_A     K    35_A     16   24   47      8   14   15   16   20   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     I    36_A     I    36_A     16   24   47     10   14   15   16   20   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     K    37_A     K    37_A     16   24   47     10   14   15   19   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     E    38_A     E    38_A     16   24   47     10   14   15   19   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     L    39_A     L    39_A     16   24   47     10   14   15   16   18   22   30   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     L    40_A     L    40_A     16   24   47     10   14   15   16   18   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     E    41_A     E    41_A     16   24   47      9   14   15   19   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     E    42_A     E    42_A     16   24   47      3    7   12   19   22   26   31   37   39   41   44   50   50   52   54   59   61   65   69   74 
LCS_GDT     H    43_A     H    43_A      5   24   47      3    7   12   19   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     P    44_A     P    44_A      4   24   47      3    4    5   11   20   26   30   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     D    45_A     D    45_A      8   24   47      3    6   11   19   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     L    46_A     L    46_A      8   24   47      3    7   11   19   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     S    47_A     S    47_A      8   24   47      4    7   11   19   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     L    48_A     L    48_A      8   24   47      4    7   11   19   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     E    49_A     E    49_A      8   24   47      4    7   11   19   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     E    50_A     E    50_A      8   24   47      4    7   11   19   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     K    51_A     K    51_A      8   18   47      3    6   10   19   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     L    52_A     L    52_A      8   18   47      3    5   10   19   22   26   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     A    53_A     A    53_A     12   15   47      3    9   12   15   18   24   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     E    54_A     E    54_A     12   15   47      8   10   12   15   18   22   31   37   39   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     L    55_A     L    55_A     12   15   47      8   10   12   15   18   24   31   37   39   41   47   50   50   52   56   59   61   65   69   75 
LCS_GDT     L    56_A     L    56_A     12   15   47      8   10   12   15   18   23   31   37   39   41   47   50   50   52   56   59   61   65   69   75 
LCS_GDT     R    57_A     R    57_A     12   15   47      8   10   12   15   18   22   30   37   39   41   47   50   50   52   56   59   61   65   69   75 
LCS_GDT     F    58_A     F    58_A     12   15   47      8   10   12   15   18   23   31   37   39   41   47   50   50   52   56   59   61   65   69   75 
LCS_GDT     F    59_A     F    59_A     12   15   47      8   10   12   15   18   23   31   37   39   41   47   50   50   52   56   59   61   65   69   75 
LCS_GDT     V    60_A     V    60_A     12   15   47      8   10   12   15   18   23   30   37   39   41   47   50   50   52   56   59   61   65   69   75 
LCS_GDT     E    61_A     E    61_A     12   15   47      8   10   12   15   18   22   30   37   39   41   47   50   50   52   56   59   61   65   69   75 
LCS_GDT     V    62_A     V    62_A     12   15   47      4   10   12   15   18   24   31   37   39   41   47   50   50   52   56   59   61   65   69   75 
LCS_GDT     F    63_A     F    63_A     12   15   47      4   10   12   15   18   23   31   37   39   41   47   50   50   52   56   59   61   65   69   75 
LCS_GDT     S    64_A     S    64_A     12   15   47      4    8   12   15   18   22   30   36   39   41   47   50   50   52   56   59   61   65   69   75 
LCS_GDT     K    65_A     K    65_A      5   14   47      4    5    5    7    8   16   23   26   31   37   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     N    66_A     N    66_A      5    7   47      4    5    8   10   13   17   23   31   35   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     F    67_A     F    67_A      5    7   47      4    5    5    5    7   10   17   24   35   39   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     S    68_A     S    68_A      4    7   47      1    4    4    5    8   15   17   23   32   41   47   50   50   52   54   59   61   65   68   75 
LCS_GDT     P    69_A     P    69_A      3    5   47      2    4    7   11   14   18   25   28   33   41   47   50   50   52   56   59   61   65   69   75 
LCS_GDT     E    70_A     E    70_A      3    5   47      3    3    7   11   14   18   25   28   32   37   42   50   50   52   56   59   61   65   69   75 
LCS_GDT     A    71_A     A    71_A      4    5   47      3    3    4    6   12   19   25   28   32   37   43   50   50   52   56   59   61   65   69   75 
LCS_GDT     A    72_A     A    72_A      4    5   47      3    3    4    5   10   14   17   20   26   28   30   35   40   49   56   58   60   65   69   75 
LCS_GDT     V    73_A     V    73_A      4    5   47      3    5    6   10   12   14   17   20   26   28   30   33   40   43   48   58   60   64   68   71 
LCS_GDT     T    74_A     T    74_A      4    5   36      3    4    5   10   11   14   17   23   27   30   36   42   47   50   56   58   60   65   69   75 
LCS_GDT     F    75_A     F    75_A      4    8   36      3    4    4    4    7    9   10   14   16   18   22   29   37   44   48   54   57   58   66   71 
LCS_GDT     Y    76_A     Y    76_A      5    8   36      4    5    7    7    7    9   13   21   24   30   32   35   41   46   53   56   57   60   68   71 
LCS_GDT     Q    77_A     Q    77_A      5    8   36      4    4    7   14   15   19   23   28   32   35   38   43   50   52   56   58   60   65   69   75 
LCS_GDT     N    78_A     N    78_A      5    8   36      4    8   12   13   17   19   25   28   32   41   47   50   50   52   56   59   61   65   69   75 
LCS_GDT     F    79_A     F    79_A      5    8   36      4    5    7   14   14   17   23   27   31   35   38   42   50   52   56   59   61   65   69   75 
LCS_GDT     Y    80_A     Y    80_A      5   13   36      4    5    7    7    7    9   13   16   26   30   30   40   44   46   48   58   60   64   69   75 
LCS_GDT     E    81_A     E    81_A     12   13   26      4   10   12   14   16   21   22   24   28   33   36   40   47   49   56   58   60   65   69   75 
LCS_GDT     L    82_A     L    82_A     12   13   26      5   10   12   14   16   21   22   24   28   33   36   42   47   50   56   58   60   65   68   72 
LCS_GDT     L    83_A     L    83_A     12   13   26      8   10   12   14   16   21   22   24   28   34   38   42   47   50   56   58   61   65   69   75 
LCS_GDT     R    84_A     R    84_A     12   13   26      8   10   12   14   16   21   22   24   28   33   36   42   47   50   56   58   61   65   69   75 
LCS_GDT     T    85_A     T    85_A     12   13   26      8   10   12   14   16   21   22   24   28   33   36   42   47   50   56   58   60   65   68   72 
LCS_GDT     Y    86_A     Y    86_A     12   13   26      8   10   12   14   16   21   22   24   28   33   36   42   47   50   56   58   60   65   68   72 
LCS_GDT     A    87_A     A    87_A     12   13   26      8   10   12   14   16   21   22   24   28   33   36   42   47   50   56   58   61   65   69   75 
LCS_GDT     A    88_A     A    88_A     12   13   26      8   10   12   14   16   21   22   24   28   33   36   42   47   50   56   58   60   65   68   72 
LCS_GDT     V    89_A     V    89_A     12   13   26      8   10   12   14   16   21   22   24   28   33   36   40   47   50   56   58   60   65   68   72 
LCS_GDT     L    90_A     L    90_A     12   13   26      8   10   12   14   16   21   22   24   28   33   36   42   47   50   56   58   60   65   68   72 
LCS_GDT     H    91_A     H    91_A     12   13   26      7   10   12   14   16   21   22   24   28   33   36   42   47   50   56   58   60   65   68   73 
LCS_GDT     G    92_A     G    92_A     12   13   26      3    6    8   14   15   21   22   24   26   33   36   40   46   50   56   58   60   65   68   72 
LCS_GDT     E    93_A     E    93_A      4    7   26      3    4    8   13   16   18   19   21   26   28   31   33   38   46   51   57   58   62   67   69 
LCS_GDT     E    94_A     E    94_A      4    7   26      3    5    6    9   13   15   18   19   22   23   25   26   29   33   36   42   47   55   61   64 
LCS_GDT     A    95_A     A    95_A      4    7   28      3    4    6    7    8   11   12   17   18   20   23   24   32   34   40   46   56   58   62   65 
LCS_GDT     V    96_A     V    96_A      4    7   29      3    4    5    7    8    9   10   11   14   21   25   29   32   40   46   52   56   62   67   67 
LCS_GDT     P    97_A     P    97_A      7    7   29      3    6    7    8    9   10   13   23   25   25   25   29   32   37   41   44   52   53   61   67 
LCS_GDT     P    98_A     P    98_A      7    7   29      3    6    7    8    9   14   20   23   25   25   25   26   30   34   37   41   52   53   55   58 
LCS_GDT     P    99_A     P    99_A      7    7   29      3    6    7    8    9   14   20   23   25   25   25   26   30   34   36   39   41   53   55   57 
LCS_GDT     L   100_A     L   100_A      7    7   29      3    6    7    8    9   15   20   23   25   25   25   26   30   34   36   39   41   49   55   57 
LCS_GDT     V   101_A     V   101_A      7    7   29      3    6    7    8    9   14   19   23   25   25   25   26   30   34   36   37   41   49   51   53 
LCS_GDT     M   102_A     M   102_A      7   17   29      3    6    7    8    9   14   18   23   25   25   25   26   30   34   36   37   41   49   51   53 
LCS_GDT     T   103_A     T   103_A      7   18   29      3    5    7    8    9   15   19   23   25   25   25   26   27   29   34   40   41   43   47   49 
LCS_GDT     P   104_A     P   104_A     17   18   29      5   14   16   17   18   18   20   21   25   25   25   26   30   34   36   40   41   43   47   49 
LCS_GDT     E   105_A     E   105_A     17   18   29     12   14   16   17   18   18   20   23   25   25   25   26   30   34   36   40   41   43   47   49 
LCS_GDT     L   106_A     L   106_A     17   18   29     12   14   16   17   18   18   20   23   25   25   25   26   30   34   36   40   41   43   47   51 
LCS_GDT     A   107_A     A   107_A     17   18   29     12   14   16   17   18   18   20   23   25   25   25   26   30   34   36   40   41   49   51   53 
LCS_GDT     A   108_A     A   108_A     17   18   29     12   14   16   17   18   18   20   23   25   25   25   26   30   34   36   40   41   43   47   49 
LCS_GDT     E   109_A     E   109_A     17   18   29     12   14   16   17   18   18   20   23   25   25   25   26   30   34   36   40   41   49   51   55 
LCS_GDT     I   110_A     I   110_A     17   18   29     12   14   16   17   18   18   20   23   25   25   25   26   30   34   44   47   52   53   55   58 
LCS_GDT     I   111_A     I   111_A     17   18   29     12   14   16   17   18   18   20   23   25   25   25   26   30   34   36   47   52   53   55   57 
LCS_GDT     A   112_A     A   112_A     17   18   29     12   14   16   17   18   18   20   23   25   25   25   26   30   34   36   47   52   53   55   57 
LCS_GDT     L   113_A     L   113_A     17   18   29     12   14   16   17   18   18   20   23   25   25   25   26   34   47   47   49   52   57   62   68 
LCS_GDT     F   114_A     F   114_A     17   18   29     12   14   16   17   18   18   20   23   25   32   38   41   44   51   52   53   56   62   65   69 
LCS_GDT     Q   115_A     Q   115_A     17   18   29     12   14   16   17   18   18   20   23   25   25   25   41   44   47   47   48   53   55   60   65 
LCS_GDT     A   116_A     A   116_A     17   18   29     12   14   16   17   18   18   20   23   25   32   47   50   50   52   53   57   61   65   69   75 
LCS_GDT     A   117_A     A   117_A     17   18   29      4    7   16   17   18   19   25   28   34   41   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     T   118_A     T   118_A     17   18   29      6   14   16   17   18   18   20   23   25   25   28   37   43   47   53   56   57   62   64   70 
LCS_GDT     E   119_A     E   119_A     17   18   30      4   10   16   17   18   18   20   28   31   37   47   50   50   52   53   57   60   64   68   75 
LCS_GDT     S   120_A     S   120_A     17   18   30      5   10   15   17   18   19   25   28   32   38   47   50   50   52   54   59   61   65   69   75 
LCS_GDT     E   121_A     E   121_A      7   18   30      4    5    7   15   18   18   20   22   25   25   26   33   42   50   56   58   60   65   69   75 
LCS_GDT     E   122_A     E   122_A      6    7   30      4    5    7    7    9   12   15   19   22   26   32   37   47   50   56   58   60   65   69   75 
LCS_GDT     G   123_A     G   123_A      6    7   30      4    5    7    7    8   13   16   22   26   29   33   40   45   51   54   59   61   65   69   75 
LCS_GDT     L   124_A     L   124_A      6    7   30      3    5    7    7    8   10   16   23   27   33   36   42   47   50   56   58   60   65   69   75 
LCS_GDT     E   125_A     E   125_A      6    7   30      3    5    7    7    8   10   10   22   25   33   36   42   47   50   56   58   60   65   68   72 
LCS_GDT     A   126_A     A   126_A      4   13   30      3    4    4    5    7    8   10   23   27   30   35   42   47   50   56   58   60   65   68   72 
LCS_GDT     F   127_A     F   127_A      9   18   30      4    5   11   13   16   21   22   24   28   33   36   42   47   50   56   58   60   65   69   75 
LCS_GDT     I   128_A     I   128_A     10   18   30      4    7   12   13   16   21   22   24   28   33   36   42   47   50   56   58   60   65   68   72 
LCS_GDT     A   129_A     A   129_A     10   18   30      4    7   11   13   16   21   22   24   28   33   36   42   47   50   56   58   60   64   68   71 
LCS_GDT     F   130_A     F   130_A     10   18   30      4    7   11   13   16   21   22   24   28   33   36   42   47   50   56   58   60   65   69   75 
LCS_GDT     V   131_A     V   131_A     10   18   30      4    7   11   13   16   21   22   24   28   33   36   42   47   50   56   59   61   65   69   75 
LCS_GDT     L   132_A     L   132_A     10   18   30      3    9   11   14   16   21   22   24   28   33   36   42   47   49   56   58   60   64   68   71 
LCS_GDT     G   133_A     G   133_A     10   18   30      5    7   11   13   16   17   20   24   26   33   36   40   46   49   56   58   60   64   66   71 
LCS_GDT     D   134_A     D   134_A     10   18   30      5    7   11   13   16   18   22   24   28   33   36   42   47   50   56   58   60   65   69   75 
LCS_GDT     P   135_A     P   135_A     10   18   30      5    7   11   13   16   18   20   24   28   33   36   42   47   49   56   58   60   64   69   75 
LCS_GDT     A   136_A     A   136_A     10   18   30      5    7   11   13   16   18   20   24   28   33   36   42   47   50   56   59   61   65   69   75 
LCS_GDT     L   137_A     L   137_A     10   18   30      5    7   11   13   16   21   26   29   36   41   42   43   47   51   56   59   61   65   69   75 
LCS_GDT     Q   138_A     Q   138_A      7   18   30      4    6   11   14   16   21   22   24   30   33   36   42   47   51   56   59   61   65   69   75 
LCS_GDT     K   139_A     K   139_A      7   18   30      4    6   11   13   16   21   23   25   30   37   42   43   47   51   56   59   61   65   69   75 
LCS_GDT     L   140_A     L   140_A      7   18   30      4    7   11   13   16   24   31   37   39   41   42   43   47   51   56   59   61   65   69   75 
LCS_GDT     I   141_A     I   141_A      7   18   30      4    6    9   13   16   18   20   24   28   34   41   43   47   50   56   59   61   65   69   75 
LCS_GDT     D   142_A     D   142_A      7   18   30      4    5    9   11   16   20   26   29   38   41   42   43   47   51   56   59   61   65   69   75 
LCS_GDT     M   143_A     M   143_A      7   18   30      4    6   11   19   22   26   30   37   39   41   42   43   47   51   56   59   61   65   69   75 
LCS_GDT     L   144_A     L   144_A      7   18   30      4    5    9   13   16   18   20   21   24   28   36   41   47   49   56   58   60   65   68   72 
LCS_GDT     G   145_A     G   145_A      5   12   30      3    4    5    7    8   12   15   21   22   28   35   40   47   49   56   58   60   65   68   71 
LCS_GDT     K   146_A     K   146_A      5   12   30      3    4    5    5    8    9   13   14   17   23   25   28   32   37   41   44   51   54   61   63 
LCS_GDT     D   147_A     D   147_A      5   12   30      3    4    5    7   10   13   19   21   23   24   26   29   34   37   41   43   47   50   55   60 
LCS_GDT     K   148_A     K   148_A      3    9   30      3    3    7    8   11   18   20   24   26   29   32   33   34   38   41   46   48   54   57   62 
LCS_GDT     V   149_A     V   149_A      3    3   30      3    3    3    3   10   12   12   15   20   21   22   25   28   34   36   40   42   42   45   49 
LCS_AVERAGE  LCS_A:   5.14  (   2.54    3.85    9.02 )

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     12     14     16     19     22     26     31     37     39     41     47     50     50     52     56     59     61     65     69     75 
GDT PERCENT_AT   2.99   3.49   3.99   4.74   5.49   6.48   7.73   9.23   9.73  10.22  11.72  12.47  12.47  12.97  13.97  14.71  15.21  16.21  17.21  18.70
GDT RMS_LOCAL    0.21   0.44   0.81   1.50   1.61   1.94   2.64   2.92   3.00   3.17   3.99   4.17   4.17   4.40   5.24   5.13   5.31   5.65   6.18   6.58
GDT RMS_ALL_AT  20.98  21.11  20.94  15.05  15.22  15.03  13.59  13.39  13.42  13.36  13.10  13.26  13.26  13.56  15.31  13.05  13.02  13.01  13.50  13.40

# Checking swapping
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  E    49_A      E    49_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  F    67_A      F    67_A
#   possible swapping detected:  Y    76_A      Y    76_A
#   possible swapping detected:  F    79_A      F    79_A
#   possible swapping detected:  Y    80_A      Y    80_A
#   possible swapping detected:  E    81_A      E    81_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  E   109_A      E   109_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  E   125_A      E   125_A
#   possible swapping detected:  D   134_A      D   134_A
#   possible swapping detected:  D   142_A      D   142_A
#   possible swapping detected:  D   147_A      D   147_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    27_A      N    27_A     1.661     0    0.583   0.885     6.030   71.548   54.345
LGA    I    28_A      I    28_A     3.503     0    0.017   0.118     6.375   48.452   36.845
LGA    I    29_A      I    29_A     4.460     0    0.083   0.105     7.575   40.238   28.631
LGA    K    30_A      K    30_A     2.659     0    0.040   0.986     6.681   65.000   46.138
LGA    E    31_A      E    31_A     1.063     0    0.024   0.548     5.276   81.548   63.069
LGA    L    32_A      L    32_A     3.401     0    0.044   1.415     9.917   57.262   34.464
LGA    D    33_A      D    33_A     3.550     0    0.026   0.329     7.355   51.905   34.940
LGA    E    34_A      E    34_A     2.434     0    0.061   0.494     6.557   66.786   44.974
LGA    K    35_A      K    35_A     2.837     0    0.056   0.940     9.458   62.976   35.397
LGA    I    36_A      I    36_A     3.314     0    0.033   0.074     6.957   59.167   40.536
LGA    K    37_A      K    37_A     2.269     0    0.072   0.831     6.401   72.976   51.111
LGA    E    38_A      E    38_A     2.800     0    0.041   0.472     7.917   59.286   35.397
LGA    L    39_A      L    39_A     3.867     0    0.013   1.417     8.517   48.452   36.429
LGA    L    40_A      L    40_A     2.653     0    0.042   1.201     7.530   65.000   48.988
LGA    E    41_A      E    41_A     1.372     0    0.153   0.172     3.222   77.381   67.143
LGA    E    42_A      E    42_A     2.747     0    0.059   0.225     3.986   53.810   55.661
LGA    H    43_A      H    43_A     3.575     0    0.401   1.105     5.040   40.952   41.905
LGA    P    44_A      P    44_A     4.246     0    0.106   0.137     4.391   40.238   40.748
LGA    D    45_A      D    45_A     3.510     0    0.419   1.232     8.451   50.119   31.429
LGA    L    46_A      L    46_A     2.910     0    0.116   1.382     4.473   61.190   54.881
LGA    S    47_A      S    47_A     2.752     0    0.112   0.641     5.167   57.143   51.984
LGA    L    48_A      L    48_A     3.189     0    0.038   0.896     7.394   50.000   36.488
LGA    E    49_A      E    49_A     3.025     0    0.014   0.840     5.376   55.476   41.852
LGA    E    50_A      E    50_A     2.046     0    0.208   1.115     3.302   66.786   68.730
LGA    K    51_A      K    51_A     1.700     0    0.277   0.633     4.545   71.071   64.762
LGA    L    52_A      L    52_A     0.868     0    0.638   0.797     2.857   82.143   76.845
LGA    A    53_A      A    53_A     1.891     0    0.292   0.405     3.666   63.214   59.238
LGA    E    54_A      E    54_A     3.418     0    0.117   0.182     6.089   53.571   38.095
LGA    L    55_A      L    55_A     2.353     0    0.118   0.117     2.581   62.857   62.857
LGA    L    56_A      L    56_A     3.106     0    0.113   0.135     3.955   51.786   49.226
LGA    R    57_A      R    57_A     3.844     0    0.023   1.291     5.527   45.000   37.706
LGA    F    58_A      F    58_A     2.880     0    0.050   1.061     6.345   55.357   44.762
LGA    F    59_A      F    59_A     2.837     0    0.053   1.703     8.023   53.571   36.320
LGA    V    60_A      V    60_A     3.831     0    0.025   0.135     5.309   45.000   40.068
LGA    E    61_A      E    61_A     4.162     0    0.154   0.176     7.649   45.119   30.106
LGA    V    62_A      V    62_A     2.537     0    0.069   0.074     4.037   65.000   56.803
LGA    F    63_A      F    63_A     2.704     0    0.452   0.633     7.868   52.262   31.558
LGA    S    64_A      S    64_A     5.306     0    0.028   0.650     8.310   19.524   18.730
LGA    K    65_A      K    65_A     9.686     0    0.028   0.761    14.376    2.024    0.899
LGA    N    66_A      N    66_A     8.117     0    0.125   0.331     9.475    5.119    6.548
LGA    F    67_A      F    67_A     7.200     0    0.405   1.452    11.573    6.548    6.753
LGA    S    68_A      S    68_A     9.273     0    0.602   0.953     9.485    2.857    3.333
LGA    P    69_A      P    69_A    11.661     0    0.678   0.790    13.163    0.000    0.000
LGA    E    70_A      E    70_A    12.952     0    0.625   1.309    16.821    0.000    0.000
LGA    A    71_A      A    71_A    11.785     0    0.618   0.563    13.344    0.000    0.000
LGA    A    72_A      A    72_A    16.961     0    0.610   0.609    18.361    0.000    0.000
LGA    V    73_A      V    73_A    20.924     0    0.428   0.486    23.301    0.000    0.000
LGA    T    74_A      T    74_A    17.347     0    0.572   1.279    18.458    0.000    0.000
LGA    F    75_A      F    75_A    18.361     0    0.173   1.354    21.342    0.000    0.000
LGA    Y    76_A      Y    76_A    18.352     0    0.578   1.380    27.895    0.000    0.000
LGA    Q    77_A      Q    77_A    15.256     0    0.152   0.412    19.596    0.000    0.000
LGA    N    78_A      N    78_A     9.558     0    0.175   0.206    12.216    1.667    0.893
LGA    F    79_A      F    79_A    10.564     0    0.061   0.739    14.033    0.000    0.000
LGA    Y    80_A      Y    80_A    13.022     0    0.200   0.927    25.376    0.000    0.000
LGA    E    81_A      E    81_A     9.741     0    0.548   1.178    10.594    0.238    1.323
LGA    L    82_A      L    82_A     9.391     0    0.085   0.202    11.650    1.786    1.071
LGA    L    83_A      L    83_A     6.901     0    0.079   0.081     7.471   10.833   13.036
LGA    R    84_A      R    84_A     9.344     0    0.043   0.965    12.240    1.548    0.563
LGA    T    85_A      T    85_A    12.222     0    0.017   0.125    14.504    0.000    0.000
LGA    Y    86_A      Y    86_A    10.931     0    0.043   1.046    17.575    0.000    0.000
LGA    A    87_A      A    87_A     8.555     0    0.040   0.040    10.163    1.548    2.667
LGA    A    88_A      A    88_A    13.037     0    0.036   0.037    14.920    0.000    0.000
LGA    V    89_A      V    89_A    15.283     0    0.048   0.136    16.939    0.000    0.000
LGA    L    90_A      L    90_A    12.156     0    0.057   0.117    12.960    0.000    0.000
LGA    H    91_A      H    91_A    11.540     0    0.216   1.154    14.259    0.000    1.571
LGA    G    92_A      G    92_A    17.566     0    0.683   0.683    19.105    0.000    0.000
LGA    E    93_A      E    93_A    20.623     0    0.162   1.013    24.915    0.000    0.000
LGA    E    94_A      E    94_A    25.131     0    0.156   0.655    30.981    0.000    0.000
LGA    A    95_A      A    95_A    20.454     0    0.680   0.627    21.699    0.000    0.000
LGA    V    96_A      V    96_A    16.665     0    0.441   1.257    18.348    0.000    0.000
LGA    P    97_A      P    97_A    19.265     0    0.046   0.450    20.198    0.000    0.000
LGA    P    98_A      P    98_A    21.885     0    0.148   0.699    24.851    0.000    0.000
LGA    P    99_A      P    99_A    21.455     0    0.081   0.145    23.448    0.000    0.000
LGA    L   100_A      L   100_A    20.797     0    0.106   0.202    21.918    0.000    0.000
LGA    V   101_A      V   101_A    24.073     0    0.278   1.026    26.426    0.000    0.000
LGA    M   102_A      M   102_A    22.468     0    0.664   1.212    24.792    0.000    0.000
LGA    T   103_A      T   103_A    26.250     0    0.670   0.672    27.160    0.000    0.000
LGA    P   104_A      P   104_A    29.209     0    0.615   0.551    31.129    0.000    0.000
LGA    E   105_A      E   105_A    25.924     0    0.084   0.838    32.659    0.000    0.000
LGA    L   106_A      L   106_A    21.460     0    0.036   1.392    23.478    0.000    0.000
LGA    A   107_A      A   107_A    20.690     0    0.028   0.027    22.466    0.000    0.000
LGA    A   108_A      A   108_A    20.953     0    0.057   0.074    22.881    0.000    0.000
LGA    E   109_A      E   109_A    17.095     0    0.026   1.139    18.668    0.000    0.000
LGA    I   110_A      I   110_A    14.044     0    0.018   0.033    15.577    0.000    0.000
LGA    I   111_A      I   111_A    15.381     0    0.037   0.071    20.690    0.000    0.000
LGA    A   112_A      A   112_A    13.718     0    0.039   0.041    14.689    0.000    0.000
LGA    L   113_A      L   113_A    11.025     0    0.061   0.991    13.489    0.119    0.060
LGA    F   114_A      F   114_A    11.146     0    0.014   1.177    15.898    0.000    0.000
LGA    Q   115_A      Q   115_A    12.439     0    0.118   0.281    17.197    0.000    0.000
LGA    A   116_A      A   116_A     9.932     0    0.109   0.111    10.599    0.238    0.286
LGA    A   117_A      A   117_A    10.811     0    0.101   0.112    13.062    0.119    0.095
LGA    T   118_A      T   118_A    14.616     0    0.238   1.242    16.792    0.000    0.000
LGA    E   119_A      E   119_A    13.788     0    0.108   1.044    14.578    0.000    0.000
LGA    S   120_A      S   120_A    13.257     0    0.606   0.630    14.128    0.000    0.000
LGA    E   121_A      E   121_A    17.916     0    0.018   1.184    20.481    0.000    0.000
LGA    E   122_A      E   122_A    18.512     0    0.043   0.834    21.483    0.000    0.000
LGA    G   123_A      G   123_A    13.043     0    0.033   0.033    14.620    0.000    0.000
LGA    L   124_A      L   124_A    14.475     0    0.040   1.392    17.580    0.000    0.000
LGA    E   125_A      E   125_A    20.399     0    0.105   1.123    24.145    0.000    0.000
LGA    A   126_A      A   126_A    18.931     0    0.359   0.356    19.474    0.000    0.000
LGA    F   127_A      F   127_A    16.199     0    0.572   1.294    17.201    0.000    0.000
LGA    I   128_A      I   128_A    17.380     0    0.112   1.311    22.566    0.000    0.000
LGA    A   129_A      A   129_A    21.352     0    0.009   0.016    23.687    0.000    0.000
LGA    F   130_A      F   130_A    17.288     0    0.044   1.612    18.446    0.000    0.000
LGA    V   131_A      V   131_A    12.028     0    0.017   0.076    13.832    0.000    0.272
LGA    L   132_A      L   132_A    17.138     0    0.017   0.267    22.124    0.000    0.000
LGA    G   133_A      G   133_A    20.406     0    0.019   0.019    20.406    0.000    0.000
LGA    D   134_A      D   134_A    15.176     0    0.067   0.275    16.398    0.000    0.000
LGA    P   135_A      P   135_A    17.060     0    0.101   0.337    20.327    0.000    0.000
LGA    A   136_A      A   136_A    11.511     0    0.205   0.219    13.313    1.548    1.238
LGA    L   137_A      L   137_A     6.727     0    0.045   1.078     8.456   12.381   16.786
LGA    Q   138_A      Q   138_A     9.684     0    0.040   0.924    16.853    2.738    1.217
LGA    K   139_A      K   139_A     8.196     0    0.144   0.789    15.069   13.810    6.190
LGA    L   140_A      L   140_A     3.118     0    0.127   0.170     7.053   45.476   36.190
LGA    I   141_A      I   141_A     6.152     0    0.021   0.052    10.353   20.357   11.369
LGA    D   142_A      D   142_A     5.787     0    0.078   1.083    10.752   27.857   16.310
LGA    M   143_A      M   143_A     3.514     0    0.080   1.085     8.799   32.976   26.845
LGA    L   144_A      L   144_A     9.369     0    0.614   1.295    11.495    3.690    1.845
LGA    G   145_A      G   145_A    11.630     0    0.612   0.612    14.345    0.000    0.000
LGA    K   146_A      K   146_A    15.437     0    0.351   1.048    21.534    0.000    0.000
LGA    D   147_A      D   147_A    20.932     0    0.655   1.171    25.129    0.000    0.000
LGA    K   148_A      K   148_A    20.007     0    0.150   1.360    23.289    0.000    0.000
LGA    V   149_A      V   149_A    22.946     0    0.583   0.626    25.009    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     978    978  100.00               401
SUMMARY(RMSD_GDC):    12.195         12.128                 12.770            5.897    4.705

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123  401    4.0     37    2.92     8.042     7.079     1.227

LGA_LOCAL      RMSD:   2.915  Number of atoms:   37  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  13.392  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:  12.195  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.394349 * X  +  -0.145616 * Y  +  -0.907350 * Z  + -11.092677
  Y_new =   0.113694 * X  +  -0.972049 * Y  +   0.205412 * Z  + -41.523800
  Z_new =  -0.911900 * X  +  -0.184164 * Y  +  -0.366771 * Z  +  24.732550 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.280695  1.147891 -2.676248   [DEG:   16.0827   65.7693 -153.3377 ]
ZXZ: -1.793431  1.946332 -1.770073   [DEG: -102.7560  111.5166 -101.4177 ]
 
# END of job
