
#######################################################
#                                                     #
#                        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  121 (  963),  selected  116 , name one
# Molecule2: number of CA atoms  141 ( 1131),  selected  116 , 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:    50      36_A - 90_A        4.92    18.35
  LONGEST_CONTINUOUS_SEGMENT:    50      37_A - 91_A        4.92    18.67
  LONGEST_CONTINUOUS_SEGMENT:    50      38_A - 92_A        4.95    18.81
  LCS_AVERAGE:     28.58

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      85_A - 106_A       1.99    17.92
  LCS_AVERAGE:     11.16

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      88_A - 106_A       0.84    18.93
  LCS_AVERAGE:      8.20

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
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     P    28_A     P    28_A      3    3   41      0    3    4    5    6    8   12   20   29   32   34   41   49   51   54   59   62   65   67   69 
LCS_GDT     P    29_A     P    29_A      3    5   41      1    3    4    7    9   14   22   25   29   31   34   36   39   49   53   59   62   65   67   69 
LCS_GDT     H    30_A     H    30_A      3    5   41      3    3    6    8   11   14   18   23   26   30   34   36   39   49   53   59   62   65   67   69 
LCS_GDT     E    31_A     E    31_A      3   16   47      3    3    4    6   10   14   18   21   26   30   34   36   39   41   49   57   62   65   67   69 
LCS_GDT     R    32_A     R    32_A     15   16   48     13   15   15   15   15   15   16   19   20   25   26   29   32   34   37   40   47   63   65   68 
LCS_GDT     Y    33_A     Y    33_A     15   16   49     13   15   15   15   15   15   17   19   22   25   28   33   34   38   39   49   59   63   67   69 
LCS_GDT     E    34_A     E    34_A     15   16   49     13   15   15   15   15   15   17   19   22   25   29   33   35   49   53   58   62   65   67   69 
LCS_GDT     R    35_A     R    35_A     15   16   49     13   15   15   15   15   15   17   19   22   25   31   37   43   50   53   59   62   65   67   69 
LCS_GDT     L    36_A     L    36_A     15   16   50     13   15   15   15   15   15   18   21   26   30   34   37   42   50   54   59   62   65   67   69 
LCS_GDT     D    37_A     D    37_A     15   16   50     13   15   15   15   15   15   18   21   26   31   36   39   49   51   54   59   62   65   67   69 
LCS_GDT     R    38_A     R    38_A     15   16   50     13   15   15   15   15   15   19   27   32   36   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     W    39_A     W    39_A     15   16   50     13   15   15   15   15   21   27   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     I    40_A     I    40_A     15   16   50     13   15   15   16   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     T    41_A     T    41_A     15   16   50     13   15   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     E    42_A     E    42_A     15   16   50     13   15   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     Q    43_A     Q    43_A     15   16   50     13   15   15   16   20   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     L    44_A     L    44_A     15   16   50     13   15   15   15   16   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     I    45_A     I    45_A     15   16   50     13   15   15   15   15   15   23   27   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     Y    46_A     Y    46_A     15   16   50     12   15   15   15   15   15   22   24   30   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     R    52_A     R    52_A      3   20   50      0    3    6    9   10   14   23   28   32   36   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     D    53_A     D    53_A      3   20   50      2    3    3    7   14   24   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     E    54_A     E    54_A      4   20   50      3    3    4    7   14   22   25   28   32   34   38   42   44   49   54   59   62   65   67   69 
LCS_GDT     W    55_A     W    55_A     13   20   50      7   10   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     I    56_A     I    56_A     15   20   50      7   10   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     D    57_A     D    57_A     15   20   50      7   11   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     A    58_A     A    58_A     15   20   50      7   11   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     L    59_A     L    59_A     15   20   50      7   11   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     A    60_A     A    60_A     15   20   50      7   11   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     E    61_A     E    61_A     15   20   50      7   11   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     A    62_A     A    62_A     15   20   50      7   11   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     A    63_A     A    63_A     15   20   50      7   11   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     G    64_A     G    64_A     15   20   50      7   11   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     I    65_A     I    65_A     15   20   50      7   11   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     F    66_A     F    66_A     15   20   50      7   11   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     K    67_A     K    67_A     15   20   50      7   11   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     E    68_A     E    68_A     15   20   50      7   11   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     A    69_A     A    69_A     15   20   50      7   11   15   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     L    70_A     L    70_A     15   20   50      7   11   16   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     E    71_A     E    71_A     15   20   50      4   11   15   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     R    72_A     R    72_A     12   20   50      3    4    9   16   18   24   28   29   32   37   40   42   46   51   54   59   62   65   67   69 
LCS_GDT     N    73_A     N    73_A      4   14   50      3    4    4    7   10   17   20   27   30   35   38   42   44   46   49   55   59   64   66   69 
LCS_GDT     I    74_A     I    74_A      4    5   50      3    4    4    4    4    5    7    7   15   16   19   20   25   36   43   46   49   53   59   60 
LCS_GDT     T    75_A     T    75_A      4    5   50      3    4    4    5    7   11   15   21   30   35   39   42   44   46   49   55   59   64   66   69 
LCS_GDT     T    76_A     T    76_A      4   13   50      3    4    4    4    5   12   16   22   30   35   39   42   44   46   49   55   59   64   66   69 
LCS_GDT     P    77_A     P    77_A      4   13   50      3    4   10   12   13   13   14   15   18   24   33   37   41   45   47   52   56   60   63   69 
LCS_GDT     E    78_A     E    78_A     11   13   50      3    4   10   12   13   17   20   27   30   35   38   41   44   46   49   55   59   64   66   69 
LCS_GDT     E    79_A     E    79_A     11   13   50      3   10   10   16   22   25   27   29   32   37   40   42   44   51   54   59   62   65   67   69 
LCS_GDT     F    80_A     F    80_A     11   13   50      9   10   10   18   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     N    81_A     N    81_A     11   13   50      9   10   10   12   16   24   28   29   32   37   40   42   47   51   54   59   62   65   67   69 
LCS_GDT     A    82_A     A    82_A     11   13   50      9   10   13   19   22   25   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     F    83_A     F    83_A     11   13   50      9   10   10   12   16   24   28   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     L    84_A     L    84_A     11   13   50      9   10   10   12   13   16   24   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     K    85_A     K    85_A     11   22   50      9   10   10   12   13   17   23   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     E    86_A     E    86_A     11   22   50      9   10   10   12   14   17   21   22   28   36   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     K    87_A     K    87_A     18   22   50      9   10   16   19   20   20   21   22   23   24   29   33   44   49   54   59   62   65   67   69 
LCS_GDT     G    88_A     G    88_A     19   22   50      9   10   16   19   20   20   20   21   23   24   26   33   42   44   48   54   59   64   67   69 
LCS_GDT     K    89_A     K    89_A     19   22   50     15   16   17   19   20   20   23   27   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     R    90_A     R    90_A     19   22   50     15   16   17   19   20   20   23   27   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     A    91_A     A    91_A     19   22   50     15   16   17   19   20   20   21   22   23   24   29   37   49   50   54   59   62   65   67   69 
LCS_GDT     V    92_A     V    92_A     19   22   50     15   16   17   19   20   20   21   22   23   24   32   41   49   51   54   59   62   65   67   69 
LCS_GDT     D    93_A     D    93_A     19   22   33     15   16   17   19   20   20   21   22   23   30   38   41   49   51   54   59   62   65   67   69 
LCS_GDT     L    94_A     L    94_A     19   22   33     15   16   17   19   20   20   21   22   23   24   29   37   49   51   54   59   62   65   67   69 
LCS_GDT     V    95_A     V    95_A     19   22   33     15   16   17   19   20   20   21   22   23   24   29   30   34   39   46   53   60   65   67   69 
LCS_GDT     A    96_A     A    96_A     19   22   33     15   16   17   19   20   20   21   22   23   24   29   30   34   39   49   57   60   65   67   69 
LCS_GDT     T    97_A     T    97_A     19   22   33     15   16   17   19   20   20   21   22   23   24   29   30   34   35   38   55   60   65   67   69 
LCS_GDT     L    98_A     L    98_A     19   22   33     15   16   17   19   20   20   21   22   23   24   29   30   34   35   38   42   50   54   60   67 
LCS_GDT     T    99_A     T    99_A     19   22   33     15   16   17   19   20   20   21   22   23   24   29   30   34   35   38   40   46   51   58   62 
LCS_GDT     N   100_A     N   100_A     19   22   33     15   16   17   19   20   20   21   22   23   24   29   30   34   35   38   42   47   54   58   65 
LCS_GDT     A   101_A     A   101_A     19   22   33     15   16   17   19   20   20   21   22   23   24   29   30   34   35   38   42   47   51   58   62 
LCS_GDT     Y   102_A     Y   102_A     19   22   33     15   16   17   19   20   20   21   22   23   23   26   29   34   35   38   40   42   49   55   62 
LCS_GDT     I   103_A     I   103_A     19   22   33     15   16   17   19   20   20   21   22   23   23   26   29   34   35   38   40   42   51   58   62 
LCS_GDT     A   104_A     A   104_A     19   22   33      4   16   17   19   20   20   21   22   23   23   26   29   34   35   38   40   42   49   58   62 
LCS_GDT     V   105_A     V   105_A     19   22   33      4    5   16   19   20   20   21   22   23   23   26   28   33   35   38   40   42   44   50   58 
LCS_GDT     L   106_A     L   106_A     19   22   33      4   13   17   19   20   20   21   22   23   23   26   28   32   35   38   40   42   44   51   59 
LCS_GDT     E   107_A     E   107_A      3   21   33      3    3    3    4    6   14   18   22   23   23   26   28   30   35   38   39   41   42   51   58 
LCS_GDT     G   108_A     G   108_A      3    4   33      3    3    4    4   10   12   15   17   20   24   29   30   34   35   38   39   46   50   55   59 
LCS_GDT     D   109_A     D   109_A      4    7   33      4    4    4    8   10   14   18   22   25   25   29   30   34   35   38   42   47   52   58   63 
LCS_GDT     P   110_A     P   110_A      4    7   33      4    4    4    8   10   14   16   23   25   25   29   30   34   35   38   42   49   53   60   65 
LCS_GDT     E   111_A     E   111_A      4    7   33      4    4    4    5    7   16   21   23   25   25   29   30   34   35   38   42   47   51   58   63 
LCS_GDT     A   112_A     A   112_A      4    7   33      4    4    4    5    9   16   21   23   25   25   28   30   34   35   38   40   42   48   54   59 
LCS_GDT     I   113_A     I   113_A      4    7   33      3    4    6    8   12   16   21   23   25   25   26   28   32   35   38   40   42   44   45   55 
LCS_GDT     A   114_A     A   114_A      4    7   33      3    3    4    5    9   14   18   23   25   25   26   28   32   35   37   40   42   44   45   53 
LCS_GDT     R   115_A     R   115_A      4    7   33      3    3    4    5    8   13   18   23   25   25   25   27   29   32   35   37   39   41   45   50 
LCS_GDT     F   116_A     F   116_A      3    5   33      3    3    3    5    6    8    8   10   17   20   24   26   28   30   31   34   35   39   44   50 
LCS_GDT     L   117_A     L   117_A      3    6   33      3    3    4    6    7    8   11   21   22   22   23   25   27   30   31   34   37   41   45   50 
LCS_GDT     G   118_A     G   118_A      5    6   32      3    4    5    6    7    8   11   17   20   20   23   25   26   28   29   30   30   39   44   50 
LCS_GDT     I   119_A     I   119_A      5    6   32      3    4    5    6    7    7   11   13   14   15   18   22   23   27   29   30   32   34   36   40 
LCS_GDT     S   120_A     S   120_A      5    6   32      3    4    5    6    7   14   17   19   21   24   25   26   27   28   29   30   32   42   48   57 
LCS_GDT     L   121_A     L   121_A      5   18   32      3    5    6    9   17   18   21   23   25   25   25   28   32   35   38   40   42   51   58   62 
LCS_GDT     E   122_A     E   122_A      5   18   32      3    5    6   12   17   18   21   23   25   25   25   26   27   33   35   39   42   51   58   62 
LCS_GDT     E   123_A     E   123_A      5   18   32      3    5    6   12   17   18   21   23   25   25   25   28   32   35   37   40   42   51   58   62 
LCS_GDT     V   124_A     V   124_A      5   18   32      3    5    6   13   17   18   21   23   25   25   29   30   34   35   38   40   46   51   58   62 
LCS_GDT     Q   125_A     Q   125_A     14   18   32      3    5    8   14   17   18   21   23   25   25   29   30   34   35   38   42   51   56   61   65 
LCS_GDT     E   126_A     E   126_A     14   18   32      3   12   13   14   17   18   21   23   25   25   29   30   34   35   38   41   50   54   60   65 
LCS_GDT     I   127_A     I   127_A     14   18   32     12   12   13   14   17   18   21   23   25   25   29   30   34   35   38   42   51   56   62   65 
LCS_GDT     I   128_A     I   128_A     14   18   32     12   12   13   14   17   18   21   23   25   25   29   30   34   40   45   55   59   64   67   68 
LCS_GDT     D   129_A     D   129_A     14   18   32     12   12   13   14   17   18   21   23   25   25   29   32   37   42   49   56   60   64   67   68 
LCS_GDT     A   130_A     A   130_A     14   18   32     12   12   13   14   17   18   21   23   25   25   29   30   34   35   45   54   59   60   67   68 
LCS_GDT     A   131_A     A   131_A     14   18   32     12   12   13   14   17   18   21   23   25   25   25   26   30   36   48   56   60   65   67   69 
LCS_GDT     R   132_A     R   132_A     14   18   32     12   12   13   14   17   18   21   23   25   29   35   41   49   51   54   59   62   65   67   69 
LCS_GDT     K   133_A     K   133_A     14   18   32     12   12   13   14   17   18   21   23   25   25   25   37   49   51   54   59   62   65   67   69 
LCS_GDT     A   134_A     A   134_A     14   18   32     12   12   13   14   17   18   21   23   25   25   25   26   27   28   33   36   53   58   62   69 
LCS_GDT     V   135_A     V   135_A     14   18   32     12   12   13   14   17   18   21   23   25   25   25   26   28   41   48   57   61   64   67   69 
LCS_GDT     K   136_A     K   136_A     14   18   32     12   12   13   14   17   18   21   23   25   25   34   39   46   49   53   59   62   64   67   69 
LCS_GDT     E   137_A     E   137_A     14   18   32     12   12   13   14   17   18   21   23   25   25   25   26   27   28   29   50   53   60   65   69 
LCS_GDT     G   138_A     G   138_A     14   18   32     12   12   13   14   17   18   21   23   25   25   25   26   27   28   29   30   33   38   40   47 
LCS_GDT     R   139_A     R   139_A      3   15   32      3    3    4    5    8   10   13   17   19   22   24   26   26   27   36   43   54   60   65   69 
LCS_GDT     G   140_A     G   140_A      4    5   26      3    3    4    4    7    7    9    9   11   15   18   19   20   21   28   28   33   38   43   46 
LCS_GDT     A   141_A     A   141_A      4    8   24      3    3    4    4    7    8    9    9    9   11   13   17   17   19   21   23   29   38   40   46 
LCS_GDT     S   142_A     S   142_A      7    8   23      5    7    7    7    7    8    9    9   11   13   14   17   18   21   28   29   36   50   52   65 
LCS_GDT     I   143_A     I   143_A      7    8   18      6    7    7    7    8   10   13   17   19   21   39   42   49   51   54   59   62   65   67   69 
LCS_GDT     G   144_A     G   144_A      7    8   18      6    7    7    7    7   21   25   29   32   37   40   42   49   51   54   59   62   65   67   69 
LCS_GDT     I   145_A     I   145_A      7    8   18      6    7    7    7    7    9   10   26   32   36   39   42   49   51   54   59   62   65   67   69 
LCS_GDT     Y   146_A     Y   146_A      7    8   18      6    7    7    7    7    8   18   24   30   32   35   41   49   51   54   58   62   65   67   69 
LCS_GDT     T   147_A     T   147_A      7    8   18      6    7    7    7    7    8   20   24   29   33   35   41   49   51   54   59   62   65   67   69 
LCS_GDT     K   148_A     K   148_A      7    8   18      6    7    7    7    7    8   10   10   17   28   32   37   45   50   54   59   62   65   67   69 
LCS_AVERAGE  LCS_A:  15.98  (   8.20   11.16   28.58 )

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     15     16     17     19     22     25     28     29     32     37     40     42     49     51     54     59     62     65     67     69 
GDT PERCENT_AT  10.64  11.35  12.06  13.48  15.60  17.73  19.86  20.57  22.70  26.24  28.37  29.79  34.75  36.17  38.30  41.84  43.97  46.10  47.52  48.94
GDT RMS_LOCAL    0.27   0.42   0.61   0.84   1.49   1.90   2.19   2.25   2.56   3.33   3.55   3.68   4.66   4.70   4.92   5.27   5.48   5.85   5.95   6.16
GDT RMS_ALL_AT  19.12  18.99  18.78  18.93  14.37  14.56  14.88  14.88  14.93  16.75  16.85  16.44  15.62  15.45  15.67  16.15  16.04  15.56  15.97  16.50

# Checking swapping
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  D    53_A      D    53_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    78_A      E    78_A
#   possible swapping detected:  F    80_A      F    80_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  E   107_A      E   107_A
#   possible swapping detected:  E   126_A      E   126_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P    28_A      P    28_A     6.678     0    0.040   0.062     7.888   10.952   10.544
LGA    P    29_A      P    29_A     8.865     0    0.675   0.629    11.725    2.619    3.129
LGA    H    30_A      H    30_A     9.711     0    0.685   0.898    15.353    1.905    0.810
LGA    E    31_A      E    31_A     9.638     0    0.633   0.787    11.848    0.238    3.545
LGA    R    32_A      R    32_A    12.631     0    0.617   0.696    19.722    0.000    0.000
LGA    Y    33_A      Y    33_A    10.945     0    0.012   1.389    18.365    0.357    0.119
LGA    E    34_A      E    34_A     9.790     0    0.046   1.421    13.900    2.024    0.899
LGA    R    35_A      R    35_A     8.649     0    0.040   0.728    11.178    6.190    2.597
LGA    L    36_A      L    36_A     7.609     0    0.116   0.131     9.084   12.857    8.452
LGA    D    37_A      D    37_A     6.433     0    0.025   0.661     7.422   20.833   17.262
LGA    R    38_A      R    38_A     4.981     0    0.033   0.631     9.359   35.000   18.268
LGA    W    39_A      W    39_A     3.931     0    0.015   1.571     7.968   50.595   27.347
LGA    I    40_A      I    40_A     2.229     0    0.055   0.099     3.951   71.667   63.750
LGA    T    41_A      T    41_A     2.372     0    0.045   0.104     4.787   66.786   55.034
LGA    E    42_A      E    42_A     0.938     0    0.049   0.112     2.794   77.738   83.862
LGA    Q    43_A      Q    43_A     2.575     0    0.035   0.951     7.348   56.071   40.952
LGA    L    44_A      L    44_A     3.509     0    0.107   0.248     5.184   39.524   43.988
LGA    I    45_A      I    45_A     5.543     0    0.337   1.308     7.073   21.071   25.000
LGA    Y    46_A      Y    46_A     6.551     0    0.567   1.243     9.449   11.548   13.730
LGA    R    52_A      R    52_A     4.905     0    0.597   1.229    16.813   29.286   11.688
LGA    D    53_A      D    53_A     3.507     0    0.664   1.149     7.682   40.714   31.845
LGA    E    54_A      E    54_A     5.170     0    0.619   1.088    11.570   35.952   17.249
LGA    W    55_A      W    55_A     2.859     0    0.193   0.175     4.211   59.524   51.939
LGA    I    56_A      I    56_A     2.389     0    0.016   0.139     3.415   64.881   58.333
LGA    D    57_A      D    57_A     1.735     0    0.097   0.430     2.238   75.119   72.976
LGA    A    58_A      A    58_A     1.298     0    0.019   0.020     1.672   85.952   83.333
LGA    L    59_A      L    59_A     0.564     0    0.035   0.053     1.197   92.857   88.274
LGA    A    60_A      A    60_A     1.071     0    0.044   0.055     1.554   85.952   83.333
LGA    E    61_A      E    61_A     0.610     0    0.120   0.131     1.173   90.476   90.529
LGA    A    62_A      A    62_A     1.046     0    0.137   0.159     1.257   83.690   83.238
LGA    A    63_A      A    63_A     1.570     0    0.044   0.055     1.896   79.286   78.000
LGA    G    64_A      G    64_A     0.797     0    0.183   0.183     0.930   92.857   92.857
LGA    I    65_A      I    65_A     1.097     0    0.034   0.074     2.498   83.690   76.250
LGA    F    66_A      F    66_A     2.315     0    0.048   0.167     4.428   64.881   52.511
LGA    K    67_A      K    67_A     2.276     0    0.032   0.628     6.444   70.833   51.058
LGA    E    68_A      E    68_A     0.590     0    0.029   0.406     2.477   95.238   84.815
LGA    A    69_A      A    69_A     1.554     0    0.027   0.038     2.564   75.000   71.429
LGA    L    70_A      L    70_A     2.486     0    0.052   1.376     5.938   64.881   53.929
LGA    E    71_A      E    71_A     2.269     0    0.623   0.485     5.400   68.810   50.847
LGA    R    72_A      R    72_A     3.023     0    0.070   0.951     4.844   45.833   40.909
LGA    N    73_A      N    73_A     7.548     0    0.538   0.917    11.179    7.500    4.405
LGA    I    74_A      I    74_A    11.249     0    0.584   1.015    15.642    0.357    0.179
LGA    T    75_A      T    75_A     8.550     0    0.750   0.603     9.865    1.667    3.401
LGA    T    76_A      T    76_A     8.795     0    0.033   0.223     9.038    2.143    2.721
LGA    P    77_A      P    77_A     9.775     0    0.625   0.822    10.851    2.143    1.224
LGA    E    78_A      E    78_A     7.707     0    0.074   0.779    13.444   16.905    7.672
LGA    E    79_A      E    79_A     3.367     0    0.110   0.885     7.913   58.929   35.185
LGA    F    80_A      F    80_A     1.263     0    0.015   0.172     4.071   70.952   61.255
LGA    N    81_A      N    81_A     3.517     0    0.058   0.134     6.636   48.690   34.762
LGA    A    82_A      A    82_A     1.878     0    0.071   0.081     4.835   56.786   60.000
LGA    F    83_A      F    83_A     4.651     0    0.027   1.487     7.136   28.214   40.952
LGA    L    84_A      L    84_A     6.715     0    0.037   1.413     9.447   12.024   11.786
LGA    K    85_A      K    85_A     8.260     0    0.043   0.882    10.555    4.048    8.519
LGA    E    86_A      E    86_A     9.725     0    0.037   0.704    12.454    0.833    0.529
LGA    K    87_A      K    87_A    11.416     0    0.065   1.100    15.711    0.000    0.000
LGA    G    88_A      G    88_A    13.859     0    0.532   0.532    13.859    0.000    0.000
LGA    K    89_A      K    89_A    10.500     0    0.100   1.122    12.208    0.119    0.106
LGA    R    90_A      R    90_A     9.767     0    0.027   1.649    10.216    0.119    2.814
LGA    A    91_A      A    91_A    11.746     0    0.015   0.016    12.686    0.000    0.000
LGA    V    92_A      V    92_A    11.538     0    0.033   0.131    12.373    0.000    0.000
LGA    D    93_A      D    93_A     9.963     0    0.082   0.113    10.872    0.119    1.548
LGA    L    94_A      L    94_A    11.226     0    0.035   0.110    12.616    0.000    0.000
LGA    V    95_A      V    95_A    13.322     0    0.049   0.096    14.845    0.000    0.000
LGA    A    96_A      A    96_A    12.603     0    0.020   0.032    13.341    0.000    0.000
LGA    T    97_A      T    97_A    12.824     0    0.030   0.044    14.366    0.000    0.000
LGA    L    98_A      L    98_A    14.911     0    0.052   0.129    16.523    0.000    0.000
LGA    T    99_A      T    99_A    15.888     0    0.021   0.111    17.009    0.000    0.000
LGA    N   100_A      N   100_A    15.594     0    0.048   0.086    17.200    0.000    0.000
LGA    A   101_A      A   101_A    17.491     0    0.035   0.037    19.228    0.000    0.000
LGA    Y   102_A      Y   102_A    19.271     0    0.089   0.601    20.242    0.000    0.000
LGA    I   103_A      I   103_A    19.069     0    0.095   0.605    20.498    0.000    0.000
LGA    A   104_A      A   104_A    20.005     0    0.076   0.076    22.181    0.000    0.000
LGA    V   105_A      V   105_A    22.716     0    0.374   1.314    24.970    0.000    0.000
LGA    L   106_A      L   106_A    23.095     0    0.563   0.494    24.138    0.000    0.000
LGA    E   107_A      E   107_A    21.146     0    0.079   1.207    23.400    0.000    0.000
LGA    G   108_A      G   108_A    20.377     0    0.390   0.390    20.502    0.000    0.000
LGA    D   109_A      D   109_A    19.923     0    0.431   1.072    22.197    0.000    0.000
LGA    P   110_A      P   110_A    18.699     0    0.099   0.424    20.413    0.000    0.000
LGA    E   111_A      E   111_A    21.124     0    0.060   0.658    25.449    0.000    0.000
LGA    A   112_A      A   112_A    27.512     0    0.440   0.424    30.267    0.000    0.000
LGA    I   113_A      I   113_A    28.202     0    0.606   0.556    30.143    0.000    0.000
LGA    A   114_A      A   114_A    30.675     0    0.406   0.396    34.192    0.000    0.000
LGA    R   115_A      R   115_A    35.818     0    0.471   1.057    38.753    0.000    0.000
LGA    F   116_A      F   116_A    38.362     0    0.605   1.291    44.052    0.000    0.000
LGA    L   117_A      L   117_A    38.190     0    0.111   0.163    39.611    0.000    0.000
LGA    G   118_A      G   118_A    39.823     0    0.547   0.547    39.823    0.000    0.000
LGA    I   119_A      I   119_A    36.709     0    0.069   1.076    38.405    0.000    0.000
LGA    S   120_A      S   120_A    30.538     0    0.144   0.590    32.818    0.000    0.000
LGA    L   121_A      L   121_A    25.843     0    0.561   0.796    27.249    0.000    0.000
LGA    E   122_A      E   122_A    25.444     0    0.103   0.964    27.434    0.000    0.000
LGA    E   123_A      E   123_A    26.295     0    0.203   0.510    34.673    0.000    0.000
LGA    V   124_A      V   124_A    22.586     0    0.169   1.284    24.038    0.000    0.000
LGA    Q   125_A      Q   125_A    16.569     0    0.203   1.016    19.015    0.000    0.000
LGA    E   126_A      E   126_A    17.439     0    0.121   0.900    23.811    0.000    0.000
LGA    I   127_A      I   127_A    16.525     0    0.023   0.085    20.866    0.000    0.000
LGA    I   128_A      I   128_A    11.832     0    0.049   0.081    13.871    0.357    0.179
LGA    D   129_A      D   129_A    10.419     0    0.026   0.108    12.603    0.119    0.060
LGA    A   130_A      A   130_A    13.117     0    0.038   0.037    15.227    0.000    0.000
LGA    A   131_A      A   131_A    11.714     0    0.019   0.033    12.115    0.000    0.000
LGA    R   132_A      R   132_A     7.888     0    0.089   1.124     8.903    3.929   16.840
LGA    K   133_A      K   133_A     9.907     0    0.085   0.707    15.876    0.476    0.212
LGA    A   134_A      A   134_A    14.095     0    0.047   0.055    15.297    0.000    0.000
LGA    V   135_A      V   135_A    12.640     0    0.018   0.123    14.035    0.000    0.000
LGA    K   136_A      K   136_A    12.356     0    0.099   0.867    14.822    0.000    0.000
LGA    E   137_A      E   137_A    16.213     0    0.340   0.503    17.919    0.000    0.000
LGA    G   138_A      G   138_A    18.801     0    0.281   0.281    18.801    0.000    0.000
LGA    R   139_A      R   139_A    13.537     0    0.208   1.197    14.957    0.000    7.359
LGA    G   140_A      G   140_A    16.627     0    0.623   0.623    16.627    0.000    0.000
LGA    A   141_A      A   141_A    16.889     0    0.016   0.016    18.029    0.000    0.000
LGA    S   142_A      S   142_A    12.933     0    0.587   0.786    14.497    0.119    0.079
LGA    I   143_A      I   143_A     7.607     0    0.028   0.136     9.846   15.119   12.619
LGA    G   144_A      G   144_A     6.692     0    0.045   0.045     7.024   17.738   17.738
LGA    I   145_A      I   145_A     6.254     0    0.043   0.160    12.837   19.524   10.476
LGA    Y   146_A      Y   146_A     7.558     0    0.025   1.261    14.204    9.286    3.214
LGA    T   147_A      T   147_A     7.048     0    0.107   1.062     9.913    9.762   12.653
LGA    K   148_A      K   148_A     7.676     0    0.558   1.475    11.959    7.024    6.614

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     927    927  100.00               141
SUMMARY(RMSD_GDC):    11.906         11.872                 12.419           16.799   14.963

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  121  141    4.0     29    2.25    21.809    19.055     1.235

LGA_LOCAL      RMSD:   2.248  Number of atoms:   29  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.876  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:  11.906  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.912881 * X  +   0.389688 * Y  +   0.121622 * Z  + -17.561586
  Y_new =   0.020310 * X  +  -0.254204 * Y  +   0.966937 * Z  +  -9.929451
  Z_new =   0.407721 * X  +   0.885168 * Y  +   0.224143 * Z  +  55.862724 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.119348 -0.419957  1.322788   [DEG:  178.7255  -24.0618   75.7902 ]
ZXZ:  3.016469  1.344732  0.431645   [DEG:  172.8309   77.0475   24.7315 ]
 
# END of job
