
#######################################################
#                                                     #
#                        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  117 (  941),  selected  117 , name one
# Molecule2: number of CA atoms  157 ( 1259),  selected  117 , 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:    56      75_A - 130_A       4.96    25.82
  LONGEST_CONTINUOUS_SEGMENT:    56      76_A - 131_A       4.93    25.79
  LCS_AVERAGE:     28.90

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      75_A - 99_A        1.95    24.48
  LONGEST_CONTINUOUS_SEGMENT:    25      76_A - 100_A       1.63    24.39
  LCS_AVERAGE:     10.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      57_A - 75_A        0.86    32.15
  LCS_AVERAGE:      7.56

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  117
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     E    15_A     E    15_A     12   12   15     11   12   12   12   12   12   12   13   13   13   14   14   14   14   14   16   17   17   17   19 
LCS_GDT     V    16_A     V    16_A     12   12   15     11   12   12   12   12   12   12   13   13   13   16   22   25   29   31   34   36   39   39   40 
LCS_GDT     H    17_A     H    17_A     12   12   15     11   12   12   12   12   12   12   13   13   13   16   18   26   29   33   35   37   39   39   40 
LCS_GDT     T    18_A     T    18_A     12   12   15     11   12   12   12   12   12   12   13   13   13   14   14   14   22   24   27   32   34   37   40 
LCS_GDT     R    19_A     R    19_A     12   12   27     11   12   12   12   12   12   12   13   13   14   19   24   26   29   33   34   37   39   39   40 
LCS_GDT     L    20_A     L    20_A     12   12   33     11   12   12   12   12   12   13   16   18   22   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     V    21_A     V    21_A     12   12   33     11   12   12   12   12   12   12   13   14   16   24   28   30   32   33   35   37   39   39   40 
LCS_GDT     H    22_A     H    22_A     12   12   33     11   12   12   12   12   12   12   13   13   18   23   27   30   32   33   35   37   39   39   40 
LCS_GDT     R    23_A     R    23_A     12   12   33     11   12   12   12   12   12   13   16   18   22   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     L    24_A     L    24_A     12   12   33     11   12   12   12   12   12   13   17   20   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     A    25_A     A    25_A     12   12   33     11   12   12   12   12   12   13   17   20   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     G    26_A     G    26_A     12   12   33      9   12   12   12   12   12   13   17   20   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     I    27_A     I    27_A      4    6   33      3    4    5    5    8   11   13   17   20   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     E    28_A     E    28_A      4    6   33      3    4    5    5    8   11   13   17   20   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     P    29_A     P    29_A      4    6   33      3    4    5    5    8   11   13   17   20   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     D    30_A     D    30_A      4    6   33      4    4    5    6    8   11   13   17   20   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     P    31_A     P    31_A      4    5   33      4    4    4    5    8   10   13   16   20   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     R    32_A     R    32_A      4   17   33      4    4    4    5    5   15   17   18   19   22   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     F    33_A     F    33_A      4   18   33      4    4    5    7   11   15   16   18   19   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     E    34_A     E    34_A     14   18   33      3    7   13   14   14   15   17   18   19   23   25   27   30   32   33   34   36   37   38   40 
LCS_GDT     I    35_A     I    35_A     14   18   33      9   13   13   14   14   15   17   18   20   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     L    36_A     L    36_A     14   18   33     11   13   13   14   14   15   17   18   20   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     D    37_A     D    37_A     14   18   33     11   13   13   14   14   15   17   18   19   20   23   27   30   32   33   35   37   39   39   40 
LCS_GDT     K    38_A     K    38_A     14   18   33     11   13   13   14   14   15   17   18   20   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     Y    39_A     Y    39_A     14   18   33     11   13   13   14   14   15   17   18   20   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     I    40_A     I    40_A     14   18   33     11   13   13   14   14   15   17   18   20   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     F    41_A     F    41_A     14   18   33     11   13   13   14   14   15   17   18   20   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     R    42_A     R    42_A     14   18   33     11   13   13   14   14   15   17   18   20   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     Q    43_A     Q    43_A     14   18   33     11   13   13   14   14   15   17   18   20   23   25   28   30   32   33   35   37   39   41   42 
LCS_GDT     I    44_A     I    44_A     14   18   33     11   13   13   14   14   15   17   18   20   23   25   28   30   32   33   35   37   39   39   40 
LCS_GDT     V    45_A     V    45_A     14   18   33     10   13   13   14   14   15   17   18   20   23   25   28   30   32   33   35   37   39   39   42 
LCS_GDT     A    46_A     A    46_A     14   18   33     11   13   13   14   14   15   17   18   19   23   25   28   30   32   35   38   41   47   49   51 
LCS_GDT     D    47_A     D    47_A     14   18   33     11   13   13   14   14   15   17   18   19   22   25   27   31   34   37   42   45   47   51   52 
LCS_GDT     N    48_A     N    48_A      5   18   33      3    5    5    5   14   15   17   18   20   23   25   28   31   34   38   42   45   49   51   52 
LCS_GDT     P    49_A     P    49_A      5   18   33      4    5    5    5   11   14   16   18   20   23   25   28   31   34   38   42   45   49   51   52 
LCS_GDT     E    50_A     E    50_A      5   18   33      4    5    5    5    5    7   17   18   20   23   25   28   31   33   38   42   45   49   51   52 
LCS_GDT     E    51_A     E    51_A      5    6   33      4    5    5    5    8   10   13   16   19   21   25   28   30   33   37   40   45   47   50   52 
LCS_GDT     R    52_A     R    52_A      5    6   33      4    5    5    5    5    7    9   10   16   19   24   28   31   34   38   42   45   49   51   52 
LCS_GDT     E    53_A     E    53_A      3    6   32      3    3    3    4    5    7   12   16   19   23   26   31   36   38   42   43   47   50   57   62 
LCS_GDT     K    54_A     K    54_A      3    3   32      3    3    5    8   12   14   19   20   23   23   26   28   31   37   39   43   45   51   57   62 
LCS_GDT     I    55_A     I    55_A      3    3   32      3    3    5   12   13   14   19   20   23   27   28   32   36   38   42   44   49   54   57   62 
LCS_GDT     R    56_A     R    56_A      3   20   32      3    3    6    9   14   17   23   23   29   31   33   37   43   53   54   59   62   66   68   71 
LCS_GDT     L    57_A     L    57_A     19   20   44      3   11   19   19   19   20   24   28   35   41   47   49   52   60   60   64   67   69   69   71 
LCS_GDT     D    58_A     D    58_A     19   20   44      4   15   19   19   19   19   23   25   29   32   40   47   52   54   59   64   67   69   69   71 
LCS_GDT     Y    59_A     Y    59_A     19   20   44      5   15   19   19   19   25   27   28   32   42   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     G    60_A     G    60_A     19   20   44      5   15   19   19   22   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     R    61_A     R    61_A     19   20   44      5   15   19   19   19   19   30   35   39   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     A    62_A     A    62_A     19   20   44      7   15   19   19   19   25   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     A    63_A     A    63_A     19   20   44      7   15   19   19   22   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     E    64_A     E    64_A     19   20   44      7   15   19   19   19   19   20   26   35   40   44   50   53   60   60   65   67   69   69   71 
LCS_GDT     I    65_A     I    65_A     19   20   44      7   15   19   19   19   19   21   31   37   42   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     F    66_A     F    66_A     19   20   44      7   15   19   19   22   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     R    67_A     R    67_A     19   20   44      7   15   19   19   19   19   20   21   26   30   38   43   50   53   55   57   66   67   69   71 
LCS_GDT     D    68_A     D    68_A     19   20   44      7   15   19   19   19   19   20   20   23   29   33   39   45   52   55   57   58   62   63   70 
LCS_GDT     A    69_A     A    69_A     19   20   44      4   15   19   19   19   19   20   25   32   40   44   48   52   60   60   65   67   69   69   71 
LCS_GDT     L    70_A     L    70_A     19   20   44      4   15   19   19   19   19   20   21   25   30   33   40   46   51   55   57   58   60   63   65 
LCS_GDT     A    71_A     A    71_A     19   20   44      5   15   19   19   19   19   20   20   23   24   26   29   33   35   38   42   45   54   56   59 
LCS_GDT     R    72_A     R    72_A     19   20   49      4   15   19   19   19   19   20   20   23   24   26   29   32   36   40   43   45   54   56   59 
LCS_GDT     D    73_A     D    73_A     19   20   50      4   11   19   19   19   19   20   20   24   30   33   37   43   49   52   54   58   60   61   62 
LCS_GDT     I    74_A     I    74_A     19   20   53      3   15   19   19   19   19   21   30   36   40   44   50   53   60   60   65   67   69   69   71 
LCS_GDT     T    75_A     T    75_A     19   25   56      4   15   19   19   22   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     T    76_A     T    76_A     14   25   56     12   12   15   23   24   25   31   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     P    77_A     P    77_A     14   25   56     12   12   14   23   24   25   28   35   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     E    78_A     E    78_A     14   25   56     12   12   13   20   24   24   28   36   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     A    79_A     A    79_A     14   25   56     12   12   14   23   24   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     F    80_A     F    80_A     14   25   56     12   12   15   23   24   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     N    81_A     N    81_A     14   25   56     12   12   14   23   24   27   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     A    82_A     A    82_A     14   25   56     12   12   14   23   24   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     Y    83_A     Y    83_A     14   25   56     12   12   15   23   24   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     L    84_A     L    84_A     14   25   56     12   12   15   23   24   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     E    85_A     E    85_A     14   25   56     12   12   15   23   24   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     A    86_A     A    86_A     14   25   56     12   12   15   23   24   27   33   36   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     L    87_A     L    87_A     14   25   56     12   12   14   23   24   27   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     G    88_A     G    88_A     14   25   56     12   13   14   23   24   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     P    89_A     P    89_A     14   25   56     12   13   14   23   24   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     D    90_A     D    90_A     14   25   56     12   13   15   23   24   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     A    91_A     A    91_A     14   25   56     12   13   15   23   24   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     V    92_A     V    92_A     14   25   56     12   13   15   23   24   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     R    93_A     R    93_A     14   25   56     12   13   15   23   24   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     T    94_A     T    94_A     14   25   56     12   13   15   23   24   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     V    95_A     V    95_A     14   25   56     12   13   15   23   24   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     Q    96_A     Q    96_A     14   25   56     12   13   15   23   24   25   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     D    97_A     D    97_A     14   25   56     12   13   15   23   24   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     L    98_A     L    98_A     14   25   56     12   13   15   23   24   26   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     T    99_A     T    99_A     14   25   56     12   13   15   23   24   25   27   28   37   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     R   100_A     R   100_A     14   25   56      4   13   14   19   23   25   27   29   37   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     R   101_A     R   101_A      4   14   56      3    4    5    9   15   16   17   18   20   27   39   46   52   60   60   65   67   69   69   71 
LCS_GDT     F   102_A     F   102_A      4    9   56      3    4    8   10   15   16   21   25   34   38   45   51   55   60   60   65   67   69   69   71 
LCS_GDT     V   103_A     V   103_A      6    9   56      3    4    8   10   15   19   22   30   39   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     D   104_A     D   104_A      6   10   56      5    5    8   10   15   19   23   30   38   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     V   105_A     V   105_A      6   14   56      5    5    6    9   11   16   21   26   34   42   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     I   106_A     I   106_A      6   14   56      5    5    6    8    9   11   17   22   30   41   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     R   107_A     R   107_A      6   14   56      5    5    6    9   15   16   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     A   108_A     A   108_A      6   14   56      5    5    6    8   15   17   29   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     D   109_A     D   109_A     10   14   56      9    9   10   12   22   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     P   110_A     P   110_A     10   14   56      9    9   10   13   22   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     E   111_A     E   111_A     10   14   56      9    9   10   13   22   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     A   112_A     A   112_A     10   14   56      9    9   10   10   15   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     I   113_A     I   113_A     10   14   56      9    9   10   10   22   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     A   114_A     A   114_A     10   14   56      9    9   10   13   22   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     K   115_A     K   115_A     10   14   56      9    9   10   13   22   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     L   116_A     L   116_A     10   14   56      9    9   10   10   21   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     L   117_A     L   117_A     10   14   56      9    9   10   13   22   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     N   118_A     N   118_A     10   14   56      3    8   10   13   22   28   33   37   40   44   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     I   119_A     I   119_A      4    5   56      3    4    6   14   17   24   26   32   39   43   47   51   55   60   60   65   67   69   69   71 
LCS_GDT     S   120_A     S   120_A      4    5   56      3    4    4    5    6   22   27   28   33   38   45   49   55   57   60   65   67   69   69   71 
LCS_GDT     K   121_A     K   121_A     11   11   56      8   10   10   13   18   22   24   29   33   38   43   45   47   51   58   63   67   69   69   71 
LCS_GDT     E   122_A     E   122_A     11   11   56      8   10   10   11   11   22   27   29   34   38   43   49   53   57   60   65   67   69   69   71 
LCS_GDT     D   123_A     D   123_A     11   11   56      8   10   10   11   11   12   13   15   34   38   43   48   53   57   60   65   67   69   69   71 
LCS_GDT     V   124_A     V   124_A     11   11   56      8   10   10   11   11   12   13   14   16   36   42   45   47   51   58   63   67   69   69   71 
LCS_GDT     Q   125_A     Q   125_A     11   11   56      8   10   10   11   11   12   23   29   34   38   43   48   53   57   60   65   67   69   69   71 
LCS_GDT     G   126_A     G   126_A     11   11   56      8   10   10   11   11   12   13   16   34   38   43   49   55   60   60   65   67   69   69   71 
LCS_GDT     L   127_A     L   127_A     11   11   56      8   10   10   11   11   12   13   13   16   19   22   28   34   45   59   65   67   69   69   71 
LCS_GDT     A   128_A     A   128_A     11   11   56      8   10   10   11   11   12   13   16   19   22   27   42   47   55   59   65   67   69   69   71 
LCS_GDT     R   129_A     R   129_A     11   11   56      6   10   10   11   11   12   15   29   34   39   44   49   55   60   60   65   67   69   69   71 
LCS_GDT     A   130_A     A   130_A     11   11   56      3   10   10   11   11   12   14   16   19   25   41   49   55   60   60   65   67   69   69   71 
LCS_GDT     G   131_A     G   131_A     11   11   56      3    3    3   11   11   12   13   14   18   21   27   34   49   60   60   65   67   69   69   71 
LCS_AVERAGE  LCS_A:  15.67  (   7.56   10.54   28.90 )

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     15     19     23     24     28     33     37     40     44     47     51     55     60     60     65     67     69     69     71 
GDT PERCENT_AT   7.64   9.55  12.10  14.65  15.29  17.83  21.02  23.57  25.48  28.03  29.94  32.48  35.03  38.22  38.22  41.40  42.68  43.95  43.95  45.22
GDT RMS_LOCAL    0.18   0.66   0.86   1.44   1.51   2.13   2.36   2.68   2.88   3.29   3.50   3.81   4.30   4.75   4.77   5.17   5.31   5.46   5.46   5.71
GDT RMS_ALL_AT  26.25  32.41  32.15  24.34  24.27  26.28  26.23  26.14  26.02  26.15  26.22  26.17  26.03  26.40  26.10  26.32  26.28  26.38  26.38  26.46

# Checking swapping
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  F    41_A      F    41_A
#   possible swapping detected:  D    47_A      D    47_A
#   possible swapping detected:  D    58_A      D    58_A
#   possible swapping detected:  Y    59_A      Y    59_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  E    78_A      E    78_A
#   possible swapping detected:  F   102_A      F   102_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E    15_A      E    15_A    36.475     0    0.000   1.068    39.733    0.000    0.000
LGA    V    16_A      V    16_A    34.537     0    0.059   1.144    36.597    0.000    0.000
LGA    H    17_A      H    17_A    33.685     0    0.000   1.021    37.822    0.000    0.000
LGA    T    18_A      T    18_A    39.930     0    0.000   0.997    44.019    0.000    0.000
LGA    R    19_A      R    19_A    43.905     0    0.031   1.389    46.328    0.000    0.000
LGA    L    20_A      L    20_A    42.198     0    0.069   1.422    45.621    0.000    0.000
LGA    V    21_A      V    21_A    44.025     0    0.000   0.026    48.655    0.000    0.000
LGA    H    22_A      H    22_A    50.417     0    0.000   1.150    54.393    0.000    0.000
LGA    R    23_A      R    23_A    52.190     0    0.000   0.672    59.840    0.000    0.000
LGA    L    24_A      L    24_A    51.711     0    0.000   0.051    55.815    0.000    0.000
LGA    A    25_A      A    25_A    55.583     0    0.053   0.000    60.317    0.000    0.000
LGA    G    26_A      G    26_A    60.742     0    0.077   0.077    63.203    0.000    0.000
LGA    I    27_A      I    27_A    60.879     0    0.054   1.178    61.658    0.000    0.000
LGA    E    28_A      E    28_A    63.542     0    0.556   1.262    67.969    0.000    0.000
LGA    P    29_A      P    29_A    61.873     0    0.626   0.550    64.089    0.000    0.000
LGA    D    30_A      D    30_A    59.739     0    0.623   0.891    61.655    0.000    0.000
LGA    P    31_A      P    31_A    53.944     0    0.110   0.339    57.952    0.000    0.000
LGA    R    32_A      R    32_A    55.729     0    0.096   0.957    63.051    0.000    0.000
LGA    F    33_A      F    33_A    55.207     0    0.569   1.421    56.821    0.000    0.000
LGA    E    34_A      E    34_A    50.874     0    0.475   1.213    53.109    0.000    0.000
LGA    I    35_A      I    35_A    49.228     0    0.034   0.103    55.106    0.000    0.000
LGA    L    36_A      L    36_A    46.379     0    0.034   1.388    48.004    0.000    0.000
LGA    D    37_A      D    37_A    43.807     0    0.000   0.745    45.555    0.000    0.000
LGA    K    38_A      K    38_A    41.711     0    0.000   0.085    47.728    0.000    0.000
LGA    Y    39_A      Y    39_A    40.184     0    0.120   1.358    41.449    0.000    0.000
LGA    I    40_A      I    40_A    37.693     0    0.052   0.122    41.140    0.000    0.000
LGA    F    41_A      F    41_A    35.921     0    0.067   1.444    36.974    0.000    0.000
LGA    R    42_A      R    42_A    34.908     0    0.047   0.989    43.774    0.000    0.000
LGA    Q    43_A      Q    43_A    33.389     0    0.000   1.009    35.236    0.000    0.000
LGA    I    44_A      I    44_A    32.100     0    0.000   0.055    35.110    0.000    0.000
LGA    V    45_A      V    45_A    31.217     0    0.000   1.186    32.621    0.000    0.000
LGA    A    46_A      A    46_A    31.146     0    0.171   0.184    32.141    0.000    0.000
LGA    D    47_A      D    47_A    30.174     0    0.662   1.180    31.937    0.000    0.000
LGA    N    48_A      N    48_A    27.336     0    0.489   0.586    27.666    0.000    0.000
LGA    P    49_A      P    49_A    26.594     0    0.072   0.308    27.316    0.000    0.000
LGA    E    50_A      E    50_A    28.832     0    0.273   1.366    36.133    0.000    0.000
LGA    E    51_A      E    51_A    27.883     0    0.314   0.840    28.005    0.000    0.000
LGA    R    52_A      R    52_A    24.993     0    0.549   1.612    28.840    0.000    0.000
LGA    E    53_A      E    53_A    19.246     0    0.613   1.598    21.142    0.000    0.000
LGA    K    54_A      K    54_A    18.953     0    0.611   1.470    25.516    0.000    0.000
LGA    I    55_A      I    55_A    16.346     0    0.132   0.200    18.029    0.000    0.000
LGA    R    56_A      R    56_A    11.996     0    0.508   1.798    15.321    0.000    0.000
LGA    L    57_A      L    57_A     7.032     0    0.622   1.206     8.884   11.071   16.310
LGA    D    58_A      D    58_A     8.766     0    0.409   1.159    11.472    8.214    4.107
LGA    Y    59_A      Y    59_A     5.637     0    0.097   1.326    16.858   35.476   12.698
LGA    G    60_A      G    60_A     1.613     0    0.032   0.032     3.606   61.429   61.429
LGA    R    61_A      R    61_A     5.396     0    0.052   1.408    14.348   31.786   12.641
LGA    A    62_A      A    62_A     3.703     0    0.047   0.000     5.161   56.548   50.476
LGA    A    63_A      A    63_A     3.404     0    0.088   0.091     5.440   46.548   42.476
LGA    E    64_A      E    64_A     7.204     0    0.000   1.482    14.067   12.738    6.032
LGA    I    65_A      I    65_A     6.465     0    0.000   0.061     9.525   19.405   12.679
LGA    F    66_A      F    66_A     2.587     0    0.067   0.330     6.562   41.190   38.442
LGA    R    67_A      R    67_A     8.535     0    0.083   0.953    16.442    5.357    1.991
LGA    D    68_A      D    68_A    10.746     0    0.028   1.079    14.206    0.476    0.238
LGA    A    69_A      A    69_A     7.943     0    0.021   0.051     9.400    3.571    7.143
LGA    L    70_A      L    70_A    10.083     0    0.180   1.413    13.485    0.714    0.357
LGA    A    71_A      A    71_A    15.248     0    0.072   0.077    17.561    0.000    0.000
LGA    R    72_A      R    72_A    15.127     0    0.012   1.542    19.591    0.000    0.000
LGA    D    73_A      D    73_A    12.266     0    0.115   0.891    14.728    0.000    0.000
LGA    I    74_A      I    74_A     7.339     0    0.104   1.078     9.069   15.952   12.619
LGA    T    75_A      T    75_A     2.545     0    0.152   0.187     5.675   59.762   53.605
LGA    T    76_A      T    76_A     4.300     0    0.598   1.388     8.359   45.595   30.544
LGA    P    77_A      P    77_A     5.390     0    0.056   0.351     6.655   30.238   25.306
LGA    E    78_A      E    78_A     4.792     0    0.000   1.194     8.628   39.048   22.434
LGA    A    79_A      A    79_A     2.039     0    0.000   0.000     3.047   67.262   68.381
LGA    F    80_A      F    80_A     2.310     0    0.102   1.407     8.212   66.786   39.784
LGA    N    81_A      N    81_A     3.202     0    0.059   0.000     6.311   57.262   41.964
LGA    A    82_A      A    82_A     2.997     0    0.000   0.000     3.644   59.048   55.905
LGA    Y    83_A      Y    83_A     1.929     0    0.052   0.331     8.617   70.833   42.063
LGA    L    84_A      L    84_A     1.577     0    0.086   1.356     6.682   81.548   62.143
LGA    E    85_A      E    85_A     2.236     0    0.085   0.472     7.240   63.333   42.116
LGA    A    86_A      A    86_A     4.087     0    0.000   0.000     4.904   38.929   37.429
LGA    L    87_A      L    87_A     3.648     0    0.000   1.345     7.596   46.667   38.988
LGA    G    88_A      G    88_A     1.447     0    0.229   0.229     1.649   77.143   77.143
LGA    P    89_A      P    89_A     2.754     0    0.060   0.303     3.895   59.048   54.218
LGA    D    90_A      D    90_A     3.032     0    0.055   0.138     5.566   59.167   44.881
LGA    A    91_A      A    91_A     1.767     0    0.000   0.000     2.296   77.143   74.667
LGA    V    92_A      V    92_A     1.616     0    0.065   0.941     3.581   77.262   70.000
LGA    R    93_A      R    93_A     2.032     0    0.000   1.656    11.437   72.976   38.571
LGA    T    94_A      T    94_A     0.764     0    0.046   0.063     2.310   88.214   79.320
LGA    V    95_A      V    95_A     2.468     0    0.072   0.000     3.711   61.667   57.755
LGA    Q    96_A      Q    96_A     3.738     0    0.045   1.073     6.970   45.238   36.243
LGA    D    97_A      D    97_A     2.555     0    0.127   0.128     3.374   57.143   60.119
LGA    L    98_A      L    98_A     3.144     0    0.079   1.137     6.299   43.929   39.643
LGA    T    99_A      T    99_A     5.744     0    0.000   1.198     9.262   23.333   19.932
LGA    R   100_A      R   100_A     6.082     0    0.114   1.668    12.915   14.643    6.667
LGA    R   101_A      R   101_A     9.916     0    0.518   1.178    17.192    2.738    0.996
LGA    F   102_A      F   102_A     7.835     0    0.157   0.333     8.607    8.333    8.139
LGA    V   103_A      V   103_A     6.288     0    0.123   1.308     8.352   17.262   18.299
LGA    D   104_A      D   104_A     6.506     0    0.135   0.908     7.267   16.310   16.488
LGA    V   105_A      V   105_A     7.189     0    0.098   1.172    11.240   14.405    9.048
LGA    I   106_A      I   106_A     5.658     0    0.108   1.329     8.092   25.119   17.560
LGA    R   107_A      R   107_A     3.570     0    0.200   1.152     6.626   37.500   28.009
LGA    A   108_A      A   108_A     5.000     0    0.682   0.625     6.707   31.667   28.000
LGA    D   109_A      D   109_A     2.043     0    0.359   1.009     6.022   70.952   56.012
LGA    P   110_A      P   110_A     1.152     0    0.045   0.318     1.914   83.690   81.497
LGA    E   111_A      E   111_A     2.326     0    0.000   0.836     5.654   66.786   48.836
LGA    A   112_A      A   112_A     2.860     0    0.000   0.000     3.722   60.952   57.429
LGA    I   113_A      I   113_A     2.354     0    0.000   0.058     4.795   70.833   55.655
LGA    A   114_A      A   114_A     1.430     0    0.000   0.000     2.170   79.286   76.381
LGA    K   115_A      K   115_A     2.131     0    0.000   0.235     7.282   70.833   47.090
LGA    L   116_A      L   116_A     2.589     0    0.000   1.382     6.158   62.976   55.238
LGA    L   117_A      L   117_A     2.854     0    0.101   0.162     6.868   64.881   43.095
LGA    N   118_A      N   118_A     1.947     0    0.309   0.828     6.935   54.405   46.071
LGA    I   119_A      I   119_A     7.425     0    0.666   0.570     9.747   11.190    7.381
LGA    S   120_A      S   120_A    10.194     0    0.052   0.092    10.945    0.714    0.714
LGA    K   121_A      K   121_A    14.691     0    0.619   1.047    26.901    0.000    0.000
LGA    E   122_A      E   122_A    13.470     0    0.019   0.316    14.258    0.000    0.000
LGA    D   123_A      D   123_A    12.887     0    0.065   0.126    13.314    0.000    0.000
LGA    V   124_A      V   124_A    13.799     0    0.000   0.070    14.795    0.000    0.000
LGA    Q   125_A      Q   125_A    12.996     0    0.000   1.344    13.978    0.000    0.000
LGA    G   126_A      G   126_A    11.575     0    0.000   0.000    12.065    0.000    0.000
LGA    L   127_A      L   127_A    12.956     0    0.023   0.056    15.107    0.000    0.000
LGA    A   128_A      A   128_A    13.402     0    0.091   0.098    13.887    0.000    0.000
LGA    R   129_A      R   129_A    10.957     0    0.170   1.293    12.243    0.000    0.000
LGA    A   130_A      A   130_A    10.442     0    0.000   0.000    10.617    0.000    0.000
LGA    G   131_A      G   131_A    11.169     0    0.237   0.237    11.169    0.119    0.119

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      117     468    468  100.00     941    941  100.00               157
SUMMARY(RMSD_GDC):    22.688         22.731                 23.167           17.100   14.022

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  157    4.0     37    2.68    22.293    19.426     1.330

LGA_LOCAL      RMSD:   2.682  Number of atoms:   37  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  26.143  Number of assigned atoms:  117 
Std_ASGN_ATOMS RMSD:  22.688  Standard rmsd on all 117 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.018641 * X  +  -0.993921 * Y  +  -0.108509 * Z  + 400.390839
  Y_new =   0.871557 * X  +  -0.069334 * Y  +   0.485367 * Z  + -691.101624
  Z_new =  -0.489939 * X  +  -0.085524 * Y  +   0.867551 * Z  +  -7.354490 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.592181  0.512020 -0.098263   [DEG:   91.2252   29.3366   -5.6301 ]
ZXZ: -2.921649  0.520539 -1.743615   [DEG: -167.3982   29.8247  -99.9018 ]
 
# END of job
