
#######################################################
#                                                     #
#                        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  126 (  991),  selected  124 , name one
# Molecule2: number of CA atoms  124 (  971),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:F  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      48_A - 75_A        4.62    22.41
  LONGEST_CONTINUOUS_SEGMENT:    28      49_A - 76_A        4.78    22.66
  LONGEST_CONTINUOUS_SEGMENT:    28      50_A - 77_A        5.00    22.90
  LCS_AVERAGE:     17.81

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      49_A - 63_A        1.91    21.49
  LONGEST_CONTINUOUS_SEGMENT:    15      50_A - 64_A        1.52    22.01
  LCS_AVERAGE:      6.66

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    12      50_A - 61_A        0.82    21.44
  LONGEST_CONTINUOUS_SEGMENT:    12      52_A - 63_A        1.00    22.19
  LCS_AVERAGE:      4.48

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     M     1_F     M     1_A      4    6   15      3    3    4    4    5    6   10   12   14   16   17   18   19   21   22   28   31   33   36   37 
LCS_GDT     F     2_F     F     2_A      4    6   15      3    3    4    4    5    5    7    9   12   15   17   18   19   21   25   28   31   37   38   39 
LCS_GDT     T     3_F     T     3_A      4    6   15      3    3    4    4    5    5    6    8   11   13   17   17   19   20   22   28   32   37   38   39 
LCS_GDT     G     4_F     G     4_A      4   10   15      3    3    4    5    9   11   12   13   13   13   17   17   19   20   22   23   24   27   34   37 
LCS_GDT     W     5_F     W     5_A      4   10   15      3    4    8    8    9   11   12   13   13   13   17   17   19   20   22   23   23   27   28   31 
LCS_GDT     S     6_F     S     6_A      4   10   15      3    4    8    8    9   11   12   13   13   13   17   17   19   20   22   23   30   35   39   41 
LCS_GDT     P     7_F     P     7_A      6   10   15      3    4    8    8    9   11   12   13   13   13   17   17   19   20   22   28   32   35   39   41 
LCS_GDT     F     8_F     F     8_A      6   10   15      3    5    8    8    9   11   12   13   13   13   17   17   19   20   22   28   31   33   36   37 
LCS_GDT     K     9_F     K     9_A      6   10   15      3    5    8    8    9   11   12   13   13   13   17   17   19   20   22   28   31   33   38   38 
LCS_GDT     Y    10_F     Y    10_A      6   10   21      3    5    8    8    9   11   12   13   13   13   17   17   19   20   22   28   31   33   36   37 
LCS_GDT     S    11_F     S    11_A      6   10   23      3    5    8    8    9   11   12   13   13   16   20   21   25   25   25   28   31   33   36   39 
LCS_GDT     K    12_F     K    12_A      6   10   25      3    5    8    8   10   11   14   18   21   22   24   25   26   26   29   30   31   33   36   39 
LCS_GDT     G    13_F     G    13_A      5   10   25      3    3    7    8   10   12   16   18   21   22   24   25   27   27   29   30   31   33   36   37 
LCS_GDT     N    14_F     N    14_A      6    9   25      3    4    7    8   10   12   16   18   21   22   24   25   27   27   29   30   31   33   36   37 
LCS_GDT     T    15_F     T    15_A      6   11   25      3    4    7    8   10   12   16   18   21   22   24   25   27   27   29   30   31   33   36   38 
LCS_GDT     V    16_F     V    16_A      6   11   25      4    5    7    9   11   14   16   18   21   22   24   25   27   29   30   33   35   38   39   42 
LCS_GDT     T    17_F     T    17_A      6   11   25      4   11   14   15   17   20   21   22   25   26   27   27   28   29   31   33   35   38   39   42 
LCS_GDT     F    18_F     F    18_A      6   11   25      4    5    7    8   10   14   16   21   25   26   27   27   28   29   29   31   35   37   39   42 
LCS_GDT     K    19_F     K    19_A      6   11   25      4    5    7    8   10   14   16   18   21   22   24   25   27   27   29   31   32   35   36   39 
LCS_GDT     T    20_F     T    20_A      5   11   25      3    5    6    8   10   14   16   18   21   22   24   25   27   27   29   31   32   33   36   39 
LCS_GDT     P    21_F     P    21_A      5   11   25      3    4    6    7   10   14   16   18   21   22   24   25   27   27   29   31   32   32   33   37 
LCS_GDT     D    22_F     D    22_A      5   11   25      3    4    6    7   10   14   16   18   21   22   24   25   27   27   29   31   32   33   36   39 
LCS_GDT     E    23_F     E    23_A      5   11   25      3    4    6    7   10   14   16   18   21   22   24   25   27   27   29   31   32   35   36   39 
LCS_GDT     S    24_F     S    24_A      3   11   25      3    3    4    7   10   14   16   18   21   22   24   25   27   27   29   31   32   35   36   39 
LCS_GDT     S    25_F     S    25_A      5   11   25      3    4    6    8    9   12   14   18   19   22   23   24   26   27   29   31   32   35   36   39 
LCS_GDT     I    26_F     I    26_A      5   11   25      4    4    6    6   10   14   16   18   21   22   24   25   27   27   29   31   32   35   36   39 
LCS_GDT     A    27_F     A    27_A      5    6   25      4    4    6    7   10   14   16   18   21   22   24   25   27   27   29   31   32   35   36   39 
LCS_GDT     Y    28_F     Y    28_A      5    6   25      4    4    6    6   10   14   16   18   21   22   24   25   27   27   29   31   32   35   36   39 
LCS_GDT     M    29_F     M    29_A      5    6   25      4    4    6    6   10   14   16   18   21   22   24   25   27   27   29   31   32   35   36   39 
LCS_GDT     R    30_F     R    30_A      3    6   25      0    3    4    5    7    9   11   17   20   22   24   25   27   27   29   31   32   35   36   39 
LCS_GDT     F    31_F     F    31_A      3    5   25      0    3    4    4    7    8   10   14   19   21   24   25   27   27   29   30   31   33   36   39 
LCS_GDT     R    32_F     R    32_A      3    5   25      3    3    4    4    7    8   10   14   18   21   24   25   27   27   29   30   31   32   34   37 
LCS_GDT     N    33_F     N    33_A      3    5   25      3    3    4    5    7    8   10   11   15   19   23   25   27   27   29   30   31   31   32   34 
LCS_GDT     C    34_F     C    34_A      3    5   25      3    3    4    5    7    8   10   10   16   19   23   25   27   27   29   30   31   31   32   34 
LCS_GDT     V    35_F     V    35_A      3    4   25      3    3    4    4    6    8   10   11   14   17   20   24   27   27   29   30   31   31   32   34 
LCS_GDT     F    36_F     F    36_A      3    4   25      3    3    3    3    4    4    6    9   11   15   17   18   23   26   28   30   31   31   32   34 
LCS_GDT     T    37_F     T    37_A      3    4   13      3    3    3    3    5    7    7    9   10   13   14   16   21   26   26   27   32   35   38   42 
LCS_GDT     F    38_F     F    38_A      3    4   13      0    3    3    4    7    8    8   10   12   15   15   16   18   26   26   27   32   33   38   39 
LCS_GDT     T    39_F     T    39_A      4    4   16      3    4    4    4    8    8    9   11   13   15   15   17   21   26   26   27   32   36   41   44 
LCS_GDT     D    40_F     D    40_A      4    4   16      3    4    4    4    5    7    9   11   12   14   15   17   21   26   26   28   32   36   41   44 
LCS_GDT     P    41_F     P    41_A      4    4   16      3    4    4    4    7    8   10   11   12   14   15   17   20   22   26   28   31   36   41   44 
LCS_GDT     K    42_F     K    42_A      4    4   16      3    4    4    4    4    8    9   10   11   16   19   22   25   27   27   29   31   33   36   44 
LCS_GDT     G    43_F     G    43_A      3    5   16      3    3    3    4    6    8    9   11   13   16   19   22   25   27   27   29   31   36   41   44 
LCS_GDT     S    44_F     S    44_A      6    8   16      3    5    6    8    8   10   11   12   13   15   19   22   25   27   27   29   32   36   41   44 
LCS_GDT     L    45_F     L    45_A      6    8   16      3    5    7    9   10   11   11   12   13   14   15   17   20   23   25   29   32   36   41   44 
LCS_GDT     H    46_F     H    46_A      6    8   16      3    5    7    8    8   11   11   12   12   14   15   17   20   23   25   29   32   36   41   44 
LCS_GDT     S    47_F     S    47_A      6    8   27      3    5    7    8    8    8   10   11   12   14   15   17   20   21   25   28   32   36   41   44 
LCS_GDT     I    48_F     I    48_A      6    8   28      3    5    7    8    8    8   10   11   12   14   16   17   20   22   25   28   31   34   41   44 
LCS_GDT     D    49_F     D    49_A      6   15   28      3    5    7    8   10   12   15   16   19   20   23   25   26   27   28   29   29   34   36   37 
LCS_GDT     V    50_F     V    50_A     12   15   28      8   11   14   15   18   20   21   22   25   26   27   27   28   29   29   31   32   37   41   44 
LCS_GDT     T    51_F     T    51_A     12   15   28      8   11   14   15   18   20   21   22   25   26   27   27   28   29   29   31   33   37   41   44 
LCS_GDT     E    52_F     E    52_A     12   15   28      7   11   14   15   18   20   21   22   25   26   27   27   28   29   29   31   34   37   41   44 
LCS_GDT     V    53_F     V    53_A     12   15   28      8   11   14   15   18   20   21   22   25   26   27   27   28   29   29   32   34   37   41   44 
LCS_GDT     L    54_F     L    54_A     12   15   28      8   11   14   15   18   20   21   22   25   26   27   27   28   29   31   33   35   38   41   44 
LCS_GDT     N    55_F     N    55_A     12   15   28      8   11   14   15   18   20   21   22   25   26   27   27   28   29   31   33   35   38   41   44 
LCS_GDT     N    56_F     N    56_A     12   15   28      8   11   14   15   18   20   21   22   25   26   27   27   28   29   31   33   35   38   39   42 
LCS_GDT     M    57_F     M    57_A     12   15   28      8   11   14   15   18   20   21   22   25   26   27   27   28   29   31   33   35   38   39   42 
LCS_GDT     A    58_F     A    58_A     12   15   28      8   11   14   15   18   20   21   22   25   26   27   27   28   29   31   33   35   38   39   42 
LCS_GDT     K    59_F     K    59_A     12   15   28      7   11   14   15   18   20   21   22   25   26   27   27   28   29   31   33   35   38   39   42 
LCS_GDT     G    60_F     G    60_A     12   15   28      5   11   14   15   18   20   21   22   25   26   27   27   28   29   31   33   35   38   39   42 
LCS_GDT     F    61_F     F    61_A     12   15   28      3    9   14   15   18   20   21   22   25   26   27   27   28   29   31   33   35   38   39   42 
LCS_GDT     R    62_F     R    62_A     12   15   28      3    8   10   15   18   20   21   22   25   26   27   27   28   29   31   33   35   38   39   42 
LCS_GDT     D    63_F     D    63_A     12   15   28      3    8   14   15   18   20   21   22   25   26   27   27   27   29   31   33   35   38   39   42 
LCS_GDT     A    64_F     A    64_A      4   15   28      3    4    4    8   10   19   21   22   25   26   27   27   28   29   31   33   35   38   39   42 
LCS_GDT     Q    65_F     Q    65_A      3    6   28      3    3    4    4   10   12   15   21   25   26   27   27   28   29   31   33   35   38   39   42 
LCS_GDT     N    66_F     N    66_A      4    6   28      4    4    4   15   18   20   21   22   25   26   27   27   28   29   31   33   35   38   39   41 
LCS_GDT     P    67_F     P    67_A      4    5   28      4    4    4   12   18   20   21   22   25   26   27   27   28   29   31   33   35   38   39   42 
LCS_GDT     P    68_F     P    68_A      4    7   28      4    4    9   15   18   20   21   22   25   26   27   27   28   29   31   33   35   38   39   42 
LCS_GDT     S    69_F     S    69_A      7    8   28      4    6    7    7   15   19   21   22   25   26   27   27   28   29   31   33   35   38   39   42 
LCS_GDT     S    70_F     S    70_A      7    8   28      3    6    7   13   18   19   21   22   25   26   27   27   28   29   31   33   35   38   39   42 
LCS_GDT     F    71_F     F    71_A      7    8   28      3    6    7   10   17   20   21   22   25   26   27   27   28   29   31   33   35   38   39   42 
LCS_GDT     T    72_F     T    72_A      7    8   28      3    6    7    8   16   20   21   22   25   26   27   27   28   29   31   33   35   38   39   42 
LCS_GDT     L    73_F     L    73_A      7    8   28      3    6    7    8   12   17   20   22   25   26   27   27   28   29   31   33   35   38   41   44 
LCS_GDT     G    74_F     G    74_A      7    8   28      3    6    7    8   10   17   20   22   25   26   27   27   28   29   31   33   35   38   41   44 
LCS_GDT     G    75_F     G    75_A      7    8   28      3    3    7    7    8    9   13   15   18   21   23   24   26   28   31   33   35   38   41   44 
LCS_GDT     H    76_F     H    76_A      4    8   28      1    4    4    4    7    8   10   14   15   20   20   23   26   29   31   33   35   38   41   44 
LCS_GDT     C    77_F     C    77_A      4    4   28      3    4    4    4    7    8    9   11   14   16   19   22   25   29   31   33   35   38   41   44 
LCS_GDT     Q    78_F     Q    78_A      4    4   24      3    4    4    4    5    7   10   12   13   16   19   22   25   29   31   33   35   38   41   44 
LCS_GDT     A    79_F     A    79_A      4    4   23      3    4    4    4    5    7   10   12   13   16   19   22   25   29   31   33   35   38   39   42 
LCS_GDT     P    80_F     P    80_A      3    4   23      0    4    4    4    7    9   10   12   13   16   19   22   25   27   31   33   35   38   39   42 
LCS_GDT     L    81_F     L    81_A      3    5   23      1    4    4    4    5    7    9   11   14   16   20   23   26   29   31   33   35   38   39   42 
LCS_GDT     N    82_F     N    82_A      4    6   23      4    4    4    6    7    8    9   11   14   16   19   22   25   29   31   33   35   38   39   42 
LCS_GDT     A    83_F     A    83_A      4    6   23      4    4    4    6    6    6    8   11   13   16   18   21   24   27   30   31   35   38   39   42 
LCS_GDT     F    84_F     F    84_A      4    6   23      4    4    4    6    9   11   12   13   13   16   19   22   25   27   27   31   34   37   41   44 
LCS_GDT     S    85_F     S    85_A      4    6   23      4    4    4    6    6    9   12   13   14   16   19   22   25   29   30   33   35   38   39   42 
LCS_GDT     F    86_F     F    86_A      4    6   23      3    4    4    6    9   10   12   13   14   16   19   22   25   29   30   33   35   38   39   42 
LCS_GDT     V    87_F     V    87_A      4    6   23      3    4    4    6    6   11   12   13   13   16   19   22   25   27   30   33   35   37   41   44 
LCS_GDT     L    88_F     L    88_A      5    7   23      3    4    5    5    6    8    9   12   13   16   19   22   25   27   27   31   32   36   41   44 
LCS_GDT     P    89_F     P    89_A      5    7   23      3    4    5    5    6    8   10   12   13   16   19   22   25   27   27   31   32   36   41   44 
LCS_GDT     G    90_F     G    90_A      5    7   23      3    4    5    5    6    7   10   12   13   16   17   18   22   25   27   29   31   36   41   44 
LCS_GDT     V    91_F     V    91_A      5    7   23      3    4    5    5    6    8   10   12   13   16   19   22   25   27   27   29   31   36   41   44 
LCS_GDT     N    92_F     N    92_A      5    7   23      3    4    5    5    5    7    9   11   13   16   18   21   25   27   27   30   31   36   41   44 
LCS_GDT     D    93_F     D    93_A      4    7   23      3    3    4    4    5    6   10   12   13   16   19   22   25   27   27   30   32   36   41   44 
LCS_GDT     R    94_F     R    94_A      4    7   23      3    4    4    6    6    8   10   12   13   16   19   22   25   27   27   30   32   36   41   44 
LCS_GDT     A    95_F     A    95_A      3    4   23      3    4    4    6    6    8    9   10   13   16   19   22   25   27   27   30   32   36   41   44 
LCS_GDT     T    96_F     T    96_A      4    6   23      3    4    6    7    7    8   10   12   13   16   19   22   25   27   27   30   32   36   41   44 
LCS_GDT     V    97_F     V    97_A      4    6   23      3    5    6    7    7    8   10   12   13   16   19   22   25   27   27   30   32   36   41   44 
LCS_GDT     A    98_F     A    98_A      4    6   23      3    5    6    7    7    8   10   12   13   16   19   22   25   27   27   30   32   36   41   44 
LCS_GDT     T    99_F     T    99_A      4    6   23      3    5    6    7    7    8   10   12   13   16   19   22   25   27   27   30   32   36   41   44 
LCS_GDT     A   100_F     A   100_A      4    6   23      3    4    5    7    7    8   10   12   13   16   19   22   25   27   27   30   32   36   41   44 
LCS_GDT     D   101_F     D   101_A      7   10   20      4    5    7    7    9   10   11   12   13   16   19   22   25   27   27   30   32   36   41   44 
LCS_GDT     E   102_F     E   102_A      7   10   19      4    6    7    9   10   11   11   13   14   16   17   18   19   26   26   28   32   33   36   39 
LCS_GDT     A   103_F     A   103_A      7   10   19      5    6    7    9   10   11   11   13   14   16   17   18   20   26   26   28   32   33   41   44 
LCS_GDT     K   104_F     K   104_A      7   10   19      5    6    7    9   10   11   11   13   14   16   18   19   21   26   27   30   32   36   41   44 
LCS_GDT     K   105_F     K   105_A      7   10   19      5    6    7    9   10   11   11   12   14   16   18   22   25   27   27   30   32   36   41   44 
LCS_GDT     W   106_F     W   106_A      7   10   19      5    6    7    9   10   11   11   12   13   16   18   19   21   26   26   30   32   36   41   44 
LCS_GDT     E   107_F     E   107_A      7   10   19      5    6    7    9   10   11   11   12   14   16   18   19   21   25   26   30   31   36   41   44 
LCS_GDT     N   108_F     N   108_A      4   10   19      4    4    7    9   10   11   11   12   14   16   17   18   20   25   26   30   31   35   38   42 
LCS_GDT     C   109_F     C   109_A      4   10   19      4    5    7    9   10   11   11   12   13   16   18   19   21   25   26   30   31   36   41   44 
LCS_GDT     D   110_F     D   110_A      3   10   19      3    3    3    6   10   11   11   12   13   16   18   19   21   25   26   30   31   35   36   41 
LCS_GDT     A   111_F     A   111_A      3    3   19      1    3    4    4    5    6    9   11   13   14   15   17   22   25   26   29   30   31   35   37 
LCS_GDT     T   112_F     T   112_A      3    3   18      1    3    4    4    5    6   11   12   17   21   24   25   27   27   29   30   31   33   36   39 
LCS_GDT     L   113_F     L   113_A      3    3   18      1    3    4    4    8   11   15   18   21   22   24   25   27   27   29   30   31   35   36   39 
LCS_GDT     T   114_F     T   114_A      3    3   15      0    3    3    4    7   11   15   17   21   22   24   25   27   27   29   30   31   35   36   39 
LCS_GDT     G   115_F     G   115_A      3    4   14      0    3    3    3    4    5    9    9   11   16   23   24   25   25   26   27   30   35   36   39 
LCS_GDT     L   116_F     L   116_A      3    4   12      0    3    3    3    4    6    9   10   13   15   17   21   24   25   26   28   31   35   36   39 
LCS_GDT     Q   117_F     Q   117_A      3    7   12      0    3    4    5    7    8    9    9   13   14   16   19   24   25   26   28   31   33   35   38 
LCS_GDT     R   118_F     R   118_A      6    7   12      3    5    6    7    7    8    9    9   12   16   18   21   24   25   27   31   34   35   36   39 
LCS_GDT     I   119_F     I   119_A      6    7   12      3    5    6    7    7    8    9   11   14   16   19   22   25   29   30   33   35   38   39   42 
LCS_GDT     I   120_F     I   120_A      6    7   12      3    5    6    7    7    8    9   11   14   16   19   22   25   29   30   33   35   38   39   42 
LCS_GDT     H   121_F     H   121_A      6    7   12      3    5    6    7    7    9   11   12   14   17   20   22   25   29   31   33   35   38   39   42 
LCS_GDT     H   122_F     H   122_A      6    7   12      3    5    6    7    8   10   13   15   17   20   22   24   28   29   31   33   35   38   39   42 
LCS_GDT     H   123_F     H   123_A      6    7   12      3    5    6    7    7    7    9    9   14   19   20   23   28   29   31   33   35   38   39   42 
LCS_GDT     H   124_F     H   124_A      3    7   12      0    3    4    5    5    7    7    7    9   10   10   11   12   12   18   19   21   24   35   37 
LCS_AVERAGE  LCS_A:   9.65  (   4.48    6.66   17.81 )

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      8     11     14     15     18     20     21     22     25     26     27     27     28     29     31     33     35     38     41     44 
GDT PERCENT_AT   6.45   8.87  11.29  12.10  14.52  16.13  16.94  17.74  20.16  20.97  21.77  21.77  22.58  23.39  25.00  26.61  28.23  30.65  33.06  35.48
GDT RMS_LOCAL    0.31   0.59   0.90   1.04   1.70   1.95   2.08   2.22   2.77   2.87   3.05   3.05   3.93   4.01   5.42   5.59   5.81   6.26   7.00   7.23
GDT RMS_ALL_AT  21.08  21.49  21.78  21.92  23.40  22.61  22.59  22.80  22.69  22.93  22.85  22.85  22.31  22.36  22.97  22.20  22.16  22.43  25.19  25.11

# Checking swapping
#   possible swapping detected:  F     2_F      F     2_A
#   possible swapping detected:  F     8_F      F     8_A
#   possible swapping detected:  F    31_F      F    31_A
#   possible swapping detected:  F    36_F      F    36_A
#   possible swapping detected:  D    40_F      D    40_A
#   possible swapping detected:  F    84_F      F    84_A
#   possible swapping detected:  F    86_F      F    86_A
#   possible swapping detected:  D   101_F      D   101_A
#   possible swapping detected:  E   107_F      E   107_A
#   possible swapping detected:  D   110_F      D   110_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A    29.978     0    0.212   1.549    31.743    0.000    0.000
LGA    F     2_F      F     2_A    26.591     0    0.069   1.357    28.249    0.000    0.000
LGA    T     3_F      T     3_A    23.246     0    0.700   1.386    23.826    0.000    0.000
LGA    G     4_F      G     4_A    26.592     0    0.512   0.512    27.030    0.000    0.000
LGA    W     5_F      W     5_A    27.868     0    0.212   1.145    31.648    0.000    0.000
LGA    S     6_F      S     6_A    26.941     0    0.053   0.414    28.636    0.000    0.000
LGA    P     7_F      P     7_A    28.976     0    0.090   0.231    29.133    0.000    0.000
LGA    F     8_F      F     8_A    29.677     0    0.072   1.127    29.703    0.000    0.000
LGA    K     9_F      K     9_A    29.505     0    0.067   1.007    30.219    0.000    0.000
LGA    Y    10_F      Y    10_A    29.952     0    0.080   1.394    30.053    0.000    0.000
LGA    S    11_F      S    11_A    29.990     0    0.165   0.292    29.990    0.000    0.000
LGA    K    12_F      K    12_A    30.536     0    0.175   0.960    39.225    0.000    0.000
LGA    G    13_F      G    13_A    27.156     0    0.578   0.578    28.325    0.000    0.000
LGA    N    14_F      N    14_A    20.760     0    0.093   1.267    23.185    0.000    0.000
LGA    T    15_F      T    15_A    14.047     0    0.134   0.719    16.609    0.000    0.000
LGA    V    16_F      V    16_A     9.393     0    0.128   1.047    11.852    9.048    5.170
LGA    T    17_F      T    17_A     3.182     0    0.041   1.114     7.027   55.476   41.361
LGA    F    18_F      F    18_A     4.877     0    0.042   1.393     9.692   29.762   13.636
LGA    K    19_F      K    19_A     9.228     0    0.050   0.452    11.167    2.857    2.328
LGA    T    20_F      T    20_A    15.766     0    0.073   1.116    19.260    0.000    0.000
LGA    P    21_F      P    21_A    19.323     0    0.043   0.140    22.630    0.000    0.000
LGA    D    22_F      D    22_A    24.832     0    0.471   1.111    28.708    0.000    0.000
LGA    E    23_F      E    23_A    24.226     0    0.333   0.778    29.075    0.000    0.000
LGA    S    24_F      S    24_A    27.773     0    0.569   0.533    30.044    0.000    0.000
LGA    S    25_F      S    25_A    24.927     0    0.589   0.899    27.153    0.000    0.000
LGA    I    26_F      I    26_A    18.889     0    0.177   1.170    20.977    0.000    0.000
LGA    A    27_F      A    27_A    23.076     0    0.150   0.153    25.357    0.000    0.000
LGA    Y    28_F      Y    28_A    26.912     0    0.237   1.328    37.622    0.000    0.000
LGA    M    29_F      M    29_A    21.923     0    0.578   0.747    23.119    0.000    0.000
LGA    R    30_F      R    30_A    21.714     0    0.542   1.602    22.485    0.000    0.000
LGA    F    31_F      F    31_A    24.348     0    0.615   1.300    28.016    0.000    0.000
LGA    R    32_F      R    32_A    29.087     0    0.153   1.249    41.100    0.000    0.000
LGA    N    33_F      N    33_A    32.833     0    0.410   0.369    37.442    0.000    0.000
LGA    C    34_F      C    34_A    30.532     0    0.564   1.058    31.417    0.000    0.000
LGA    V    35_F      V    35_A    28.510     0    0.071   1.160    31.030    0.000    0.000
LGA    F    36_F      F    36_A    23.300     0    0.387   0.670    26.102    0.000    0.000
LGA    T    37_F      T    37_A    24.452     0    0.616   1.333    25.436    0.000    0.000
LGA    F    38_F      F    38_A    26.352     0    0.533   0.963    30.642    0.000    0.000
LGA    T    39_F      T    39_A    31.462     0    0.565   0.558    32.481    0.000    0.000
LGA    D    40_F      D    40_A    32.008     0    0.039   1.144    36.844    0.000    0.000
LGA    P    41_F      P    41_A    32.525     0    0.690   0.616    33.523    0.000    0.000
LGA    K    42_F      K    42_A    32.369     0    0.103   1.507    32.720    0.000    0.000
LGA    G    43_F      G    43_A    32.983     0    0.224   0.224    32.983    0.000    0.000
LGA    S    44_F      S    44_A    33.569     0    0.600   0.628    37.440    0.000    0.000
LGA    L    45_F      L    45_A    27.948     0    0.107   1.404    30.305    0.000    0.000
LGA    H    46_F      H    46_A    22.573     0    0.118   1.151    24.241    0.000    0.000
LGA    S    47_F      S    47_A    17.071     0    0.033   0.063    19.159    0.000    0.000
LGA    I    48_F      I    48_A    12.443     0    0.033   0.550    13.790    0.357    0.179
LGA    D    49_F      D    49_A     8.647     0    0.599   0.808    13.883    9.405    4.702
LGA    V    50_F      V    50_A     2.119     0    0.667   0.590     4.600   60.476   66.599
LGA    T    51_F      T    51_A     1.195     0    0.044   0.086     1.604   81.548   81.497
LGA    E    52_F      E    52_A     1.565     0    0.064   1.134     7.660   81.548   51.217
LGA    V    53_F      V    53_A     1.323     0    0.038   0.065     2.500   81.429   73.197
LGA    L    54_F      L    54_A     1.313     0    0.032   1.017     6.138   79.286   60.179
LGA    N    55_F      N    55_A     1.497     0    0.044   0.155     2.887   81.429   72.143
LGA    N    56_F      N    56_A     1.034     0    0.048   0.844     4.648   83.690   66.012
LGA    M    57_F      M    57_A     1.420     0    0.028   1.156     7.261   77.143   58.988
LGA    A    58_F      A    58_A     1.926     0    0.044   0.062     2.435   70.833   69.619
LGA    K    59_F      K    59_A     1.458     0    0.131   0.952     5.044   81.429   60.952
LGA    G    60_F      G    60_A     1.752     0    0.170   0.170     2.896   71.071   71.071
LGA    F    61_F      F    61_A     1.917     0    0.230   0.291     3.563   75.000   63.160
LGA    R    62_F      R    62_A     2.066     0    0.307   1.647     4.900   66.786   52.424
LGA    D    63_F      D    63_A     1.729     0    0.223   0.859     3.243   75.000   66.131
LGA    A    64_F      A    64_A     3.592     0    0.585   0.594     4.976   45.238   42.476
LGA    Q    65_F      Q    65_A     5.357     0    0.589   0.719    11.664   27.619   13.545
LGA    N    66_F      N    66_A     2.203     0    0.495   1.121     6.702   71.310   55.357
LGA    P    67_F      P    67_A     3.033     0    0.060   0.468     6.863   57.381   42.245
LGA    P    68_F      P    68_A     1.326     0    0.100   0.137     5.435   55.595   49.728
LGA    S    69_F      S    69_A     5.616     0    0.681   0.926     8.321   33.571   24.365
LGA    S    70_F      S    70_A     3.885     0    0.140   0.684     4.548   40.476   40.556
LGA    F    71_F      F    71_A     2.670     0    0.181   1.033     4.030   60.952   52.208
LGA    T    72_F      T    72_A     3.261     0    0.044   0.185     5.039   40.833   42.857
LGA    L    73_F      L    73_A     5.741     0    0.239   1.092     7.890   19.048   17.917
LGA    G    74_F      G    74_A     7.308     0    0.603   0.603     8.968    7.262    7.262
LGA    G    75_F      G    75_A    12.923     0    0.680   0.680    15.688    0.000    0.000
LGA    H    76_F      H    76_A    17.803     0    0.642   1.093    20.660    0.000    0.000
LGA    C    77_F      C    77_A    20.733     0    0.709   0.811    21.082    0.000    0.000
LGA    Q    78_F      Q    78_A    20.663     0    0.417   1.304    24.448    0.000    0.000
LGA    A    79_F      A    79_A    21.429     0    0.594   0.589    22.394    0.000    0.000
LGA    P    80_F      P    80_A    17.120     0    0.674   0.715    19.395    0.000    0.000
LGA    L    81_F      L    81_A    13.699     0    0.610   1.479    17.726    0.000    0.000
LGA    N    82_F      N    82_A    20.089     0    0.592   1.256    22.799    0.000    0.000
LGA    A    83_F      A    83_A    21.043     0    0.137   0.138    21.663    0.000    0.000
LGA    F    84_F      F    84_A    20.161     0    0.330   1.310    25.529    0.000    0.000
LGA    S    85_F      S    85_A    19.904     0    0.115   0.613    20.317    0.000    0.000
LGA    F    86_F      F    86_A    20.664     0    0.633   0.726    23.684    0.000    0.000
LGA    V    87_F      V    87_A    21.771     0    0.613   1.274    22.310    0.000    0.000
LGA    L    88_F      L    88_A    24.420     0    0.666   1.408    28.555    0.000    0.000
LGA    P    89_F      P    89_A    30.497     0    0.046   0.398    32.056    0.000    0.000
LGA    G    90_F      G    90_A    35.697     0    0.245   0.245    37.757    0.000    0.000
LGA    V    91_F      V    91_A    33.618     0    0.625   0.943    33.618    0.000    0.000
LGA    N    92_F      N    92_A    32.515     0    0.466   0.539    32.823    0.000    0.000
LGA    D    93_F      D    93_A    29.264     0    0.596   0.550    30.821    0.000    0.000
LGA    R    94_F      R    94_A    32.868     0    0.051   1.646    37.135    0.000    0.000
LGA    A    95_F      A    95_A    36.168     0    0.624   0.583    36.916    0.000    0.000
LGA    T    96_F      T    96_A    34.068     0    0.638   1.390    36.060    0.000    0.000
LGA    V    97_F      V    97_A    32.185     0    0.197   1.026    32.185    0.000    0.000
LGA    A    98_F      A    98_A    33.217     0    0.623   0.562    35.249    0.000    0.000
LGA    T    99_F      T    99_A    32.678     0    0.062   1.150    34.774    0.000    0.000
LGA    A   100_F      A   100_A    27.835     0    0.609   0.568    30.120    0.000    0.000
LGA    D   101_F      D   101_A    29.570     0    0.636   1.024    34.517    0.000    0.000
LGA    E   102_F      E   102_A    27.405     0    0.030   1.414    28.314    0.000    0.000
LGA    A   103_F      A   103_A    26.989     0    0.086   0.083    27.270    0.000    0.000
LGA    K   104_F      K   104_A    28.434     0    0.055   1.063    30.833    0.000    0.000
LGA    K   105_F      K   105_A    28.419     0    0.107   1.628    36.258    0.000    0.000
LGA    W   106_F      W   106_A    25.898     0    0.284   0.875    28.545    0.000    0.000
LGA    E   107_F      E   107_A    26.893     0    0.034   0.793    31.713    0.000    0.000
LGA    N   108_F      N   108_A    27.992     0    0.300   0.474    29.687    0.000    0.000
LGA    C   109_F      C   109_A    26.547     0    0.573   0.596    26.658    0.000    0.000
LGA    D   110_F      D   110_A    27.351     0    0.607   0.999    29.531    0.000    0.000
LGA    A   111_F      A   111_A    27.919     0    0.616   0.592    27.919    0.000    0.000
LGA    T   112_F      T   112_A    25.427     0    0.598   1.027    26.806    0.000    0.000
LGA    L   113_F      L   113_A    24.064     0    0.618   1.440    25.650    0.000    0.000
LGA    T   114_F      T   114_A    28.613     0    0.583   1.024    33.097    0.000    0.000
LGA    G   115_F      G   115_A    28.758     0    0.531   0.531    28.758    0.000    0.000
LGA    L   116_F      L   116_A    25.163     0    0.640   0.585    26.377    0.000    0.000
LGA    Q   117_F      Q   117_A    24.399     0    0.614   1.047    25.599    0.000    0.000
LGA    R   118_F      R   118_A    24.644     0    0.331   1.172    31.696    0.000    0.000
LGA    I   119_F      I   119_A    18.296     0    0.608   1.383    20.803    0.000    0.000
LGA    I   120_F      I   120_A    19.554     0    0.037   0.203    21.406    0.000    0.000
LGA    H   121_F      H   121_A    18.594     0    0.103   1.049    22.957    0.000    0.000
LGA    H   122_F      H   122_A    13.618     0    0.069   1.320    14.937    0.000    2.333
LGA    H   123_F      H   123_A    14.968     0    0.124   1.027    17.489    0.000    0.000
LGA    H   124_F      H   124_A    14.101     0    0.683   0.671    15.617    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00     971    971  100.00               124
SUMMARY(RMSD_GDC):    18.276         18.183                 18.813           13.168   11.060

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     22    2.22    16.331    14.526     0.947

LGA_LOCAL      RMSD:   2.223  Number of atoms:   22  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  22.804  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  18.276  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.043203 * X  +   0.203809 * Y  +   0.978057 * Z  + -61.888939
  Y_new =   0.998972 * X  +   0.022286 * Y  +   0.039483 * Z  +  20.084080
  Z_new =  -0.013750 * X  +   0.978757 * Y  +  -0.204562 * Z  +   0.253311 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.614017  0.013750  1.776832   [DEG:   92.4764    0.7878  101.8050 ]
ZXZ:  1.611144  1.776813 -0.014047   [DEG:   92.3117  101.8039   -0.8048 ]
 
# END of job
