
#######################################################
#                                                     #
#                        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        4.66    22.49
  LONGEST_CONTINUOUS_SEGMENT:    28      49_A - 76_A        4.85    22.78
  LCS_AVERAGE:     17.88

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      49_A - 63_A        1.80    21.56
  LONGEST_CONTINUOUS_SEGMENT:    15      50_A - 64_A        1.46    22.08
  LCS_AVERAGE:      6.39

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      50_A - 63_A        0.90    21.98
  LCS_AVERAGE:      4.51

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    5   16      4    4    5    5    5    8   10   12   15   19   20   24   24   25   27   29   30   33   35   36 
LCS_GDT     F     2_F     F     2_A      4    5   16      4    4    5    5    5    8   10   11   15   19   20   24   24   25   27   29   30   33   35   37 
LCS_GDT     T     3_F     T     3_A      4    7   16      4    4    5    5    7    7   10   12   15   19   20   24   24   25   27   29   30   33   37   38 
LCS_GDT     G     4_F     G     4_A      4    7   16      4    4    5    5    7    8   10   12   15   19   20   24   24   25   27   32   34   37   39   41 
LCS_GDT     W     5_F     W     5_A      4    7   16      3    4    5    6    8    9   10   12   15   19   20   24   24   25   27   29   30   33   35   36 
LCS_GDT     S     6_F     S     6_A      4    7   16      3    4    5    6    8    9   10   12   15   19   20   24   24   25   27   29   30   33   39   41 
LCS_GDT     P     7_F     P     7_A      4    7   16      3    4    4    6    8    9   10   12   15   19   20   24   24   25   27   29   33   35   37   38 
LCS_GDT     F     8_F     F     8_A      5    7   16      3    4    5    6    7    9   10   11   15   18   20   24   24   25   27   29   30   33   35   36 
LCS_GDT     K     9_F     K     9_A      5    7   18      3    4    5    6    8    9   10   12   15   19   20   24   24   25   27   29   30   34   35   36 
LCS_GDT     Y    10_F     Y    10_A      5    7   22      3    4    5    6    8    9   10   12   15   19   20   24   24   25   27   29   30   33   35   36 
LCS_GDT     S    11_F     S    11_A      5    7   24      3    4    5    5    8    9   11   14   17   20   23   25   25   25   27   29   30   33   36   38 
LCS_GDT     K    12_F     K    12_A      5    8   24      3    4    5    5    7   10   16   19   20   22   24   25   26   27   28   30   31   31   33   36 
LCS_GDT     G    13_F     G    13_A      4    8   24      3    3    5    8    9   13   16   19   20   22   24   25   26   27   28   30   31   33   35   36 
LCS_GDT     N    14_F     N    14_A      6    8   24      3    4    6    8    9   13   16   19   20   22   24   25   26   27   28   30   31   33   35   36 
LCS_GDT     T    15_F     T    15_A      6   11   24      3    5    6    8    9   13   16   19   20   22   24   25   26   27   28   30   31   34   35   37 
LCS_GDT     V    16_F     V    16_A      6   11   24      4    5    6    9   11   14   16   19   20   22   24   25   26   27   31   33   36   39   40   42 
LCS_GDT     T    17_F     T    17_A      6   11   24      4   13   14   15   16   19   21   22   24   26   27   27   27   28   31   33   36   39   40   42 
LCS_GDT     F    18_F     F    18_A      6   11   24      4    5    6    8    9   14   16   22   23   26   27   27   27   27   30   33   35   37   40   42 
LCS_GDT     K    19_F     K    19_A      6   11   24      4    5    6    8    9   14   14   19   20   22   24   25   26   27   28   30   31   33   36   39 
LCS_GDT     T    20_F     T    20_A      5   11   24      3    5    6    8    9   14   16   19   20   22   24   25   26   27   28   30   31   32   34   39 
LCS_GDT     P    21_F     P    21_A      5   11   24      3    4    6    8    9   14   15   19   20   22   24   25   26   27   28   30   31   32   34   36 
LCS_GDT     D    22_F     D    22_A      5   11   24      3    4    6    8    9   14   15   19   20   22   24   25   26   27   28   30   31   32   34   39 
LCS_GDT     E    23_F     E    23_A      5   11   24      3    4    6    8    9   14   15   19   20   22   24   25   26   27   28   30   31   32   34   39 
LCS_GDT     S    24_F     S    24_A      3   11   24      3    3    4    8    9   14   15   19   20   22   24   25   26   27   28   30   31   33   36   39 
LCS_GDT     S    25_F     S    25_A      5   11   24      3    4    6    8    9   11   16   18   20   21   23   25   26   27   28   30   31   33   36   39 
LCS_GDT     I    26_F     I    26_A      5   11   24      4    4    6    7    9   14   16   19   20   22   24   25   26   27   28   30   31   33   36   39 
LCS_GDT     A    27_F     A    27_A      5    6   24      4    4    6    6    8   14   16   19   20   22   24   25   26   27   28   30   31   33   36   39 
LCS_GDT     Y    28_F     Y    28_A      5    6   24      4    4    6    6    9   14   16   19   20   22   24   25   26   27   28   30   31   33   36   39 
LCS_GDT     M    29_F     M    29_A      5    6   24      4    4    6    6    9   14   16   19   20   22   24   25   26   27   28   30   31   33   36   39 
LCS_GDT     R    30_F     R    30_A      3    6   24      3    3    3    4    7    9   14   17   19   22   24   25   26   27   28   30   31   33   36   39 
LCS_GDT     F    31_F     F    31_A      3    5   24      0    3    3    4    5    8   10   13   19   22   24   25   26   27   28   30   31   31   34   39 
LCS_GDT     R    32_F     R    32_A      3    5   24      3    3    3    4    8    9   11   13   18   22   24   25   26   27   28   30   31   31   32   36 
LCS_GDT     N    33_F     N    33_A      3    5   24      3    3    3    4    8    9   10   11   15   19   21   25   26   27   28   30   31   31   32   36 
LCS_GDT     C    34_F     C    34_A      3    5   24      3    3    3    5    6    8    8    9   15   19   20   23   26   27   28   30   31   31   31   34 
LCS_GDT     V    35_F     V    35_A      3    4   24      3    3    3    4    4    6    6    9   12   16   18   21   25   27   28   30   31   31   31   34 
LCS_GDT     F    36_F     F    36_A      3    4   24      3    3    3    4    4    6    6    9    9   15   18   21   24   26   28   30   31   31   32   35 
LCS_GDT     T    37_F     T    37_A      3    4   12      3    3    3    4    4    5    7    9   10   12   14   16   20   24   25   26   31   33   36   41 
LCS_GDT     F    38_F     F    38_A      3    4   12      0    4    4    4    4    8    8   11   13   15   15   16   20   21   25   26   26   33   36   37 
LCS_GDT     T    39_F     T    39_A      4    4   16      3    4    4    8    8    8    9   11   13   15   15   17   20   24   25   26   32   36   40   45 
LCS_GDT     D    40_F     D    40_A      4    4   16      3    4    4    5    5    7    9   11   12   14   15   17   20   24   25   29   34   36   40   45 
LCS_GDT     P    41_F     P    41_A      4    4   16      3    4    4    5    6    8    9   11   12   14   15   17   18   22   26   29   31   35   40   45 
LCS_GDT     K    42_F     K    42_A      4    4   16      3    4    4    4    4    5    8   10   12   16   20   24   25   27   28   29   31   34   36   45 
LCS_GDT     G    43_F     G    43_A      3    5   16      3    3    3    5    7    8    8   12   15   16   20   24   25   27   28   29   34   36   40   45 
LCS_GDT     S    44_F     S    44_A      6    8   16      4    5    7    8    8    8   11   11   13   16   20   24   24   27   28   29   34   36   40   45 
LCS_GDT     L    45_F     L    45_A      6    8   16      4    5    7    8   10   11   11   11   13   14   15   17   18   22   25   29   34   36   40   45 
LCS_GDT     H    46_F     H    46_A      6    8   16      4    5    7    8    8   11   11   11   12   14   15   17   18   22   25   29   34   36   40   45 
LCS_GDT     S    47_F     S    47_A      6    8   27      4    5    7    8    8    8    9   11   12   14   15   17   18   20   25   27   31   35   40   45 
LCS_GDT     I    48_F     I    48_A      6    8   28      3    5    7    8    8    8    9   11   12   14   16   17   18   21   25   27   30   33   36   45 
LCS_GDT     D    49_F     D    49_A      6   15   28      3    5    7    8   11   13   15   16   18   20   23   24   25   26   28   29   29   33   35   36 
LCS_GDT     V    50_F     V    50_A     14   15   28      8   13   14   15   17   19   21   22   24   26   27   27   27   27   30   31   34   36   40   45 
LCS_GDT     T    51_F     T    51_A     14   15   28      8   13   14   15   17   19   21   22   24   26   27   27   27   27   30   31   34   36   40   45 
LCS_GDT     E    52_F     E    52_A     14   15   28      8   13   14   15   17   19   21   22   24   26   27   27   27   27   30   31   34   36   40   45 
LCS_GDT     V    53_F     V    53_A     14   15   28      8   13   14   15   17   19   21   22   24   26   27   27   27   27   30   32   34   37   40   45 
LCS_GDT     L    54_F     L    54_A     14   15   28      8   13   14   15   17   19   21   22   24   26   27   27   27   28   30   33   36   39   40   45 
LCS_GDT     N    55_F     N    55_A     14   15   28      8   13   14   15   17   19   21   22   24   26   27   27   27   28   30   33   36   39   40   45 
LCS_GDT     N    56_F     N    56_A     14   15   28      8   13   14   15   17   19   21   22   24   26   27   27   27   28   30   33   36   39   40   42 
LCS_GDT     M    57_F     M    57_A     14   15   28      8   13   14   15   17   19   21   22   24   26   27   27   27   28   31   33   36   39   40   42 
LCS_GDT     A    58_F     A    58_A     14   15   28      8   13   14   15   17   19   21   22   24   26   27   27   27   28   31   33   36   39   40   42 
LCS_GDT     K    59_F     K    59_A     14   15   28      8   13   14   15   17   19   21   22   24   26   27   27   27   28   31   33   36   39   40   42 
LCS_GDT     G    60_F     G    60_A     14   15   28      7   13   14   15   17   19   21   22   24   26   27   27   27   28   31   33   36   39   40   42 
LCS_GDT     F    61_F     F    61_A     14   15   28      3   10   14   15   17   19   21   22   24   26   27   27   27   28   31   33   36   39   40   42 
LCS_GDT     R    62_F     R    62_A     14   15   28      3    5   13   15   17   19   21   22   24   26   27   27   27   28   31   33   36   39   40   42 
LCS_GDT     D    63_F     D    63_A     14   15   28      3   13   14   15   17   19   21   22   24   26   27   27   27   28   31   33   36   39   40   42 
LCS_GDT     A    64_F     A    64_A      4   15   28      3    4    4    8   12   17   21   22   24   26   27   27   27   28   31   33   36   39   40   42 
LCS_GDT     Q    65_F     Q    65_A      3    5   28      3    3    4    4    4   12   15   16   23   26   27   27   27   28   30   33   36   39   40   42 
LCS_GDT     N    66_F     N    66_A      4    5   28      4    4    4   13   17   19   21   22   24   26   27   27   27   28   30   33   36   39   40   42 
LCS_GDT     P    67_F     P    67_A      4    5   28      4    4    4    7   12   19   21   22   24   26   27   27   27   28   31   33   36   39   40   42 
LCS_GDT     P    68_F     P    68_A      4    7   28      4    5   12   15   17   19   21   22   24   26   27   27   27   28   31   33   36   39   40   42 
LCS_GDT     S    69_F     S    69_A      7    8   28      4    6    7    7    9   19   21   22   23   26   27   27   27   28   31   33   36   39   40   42 
LCS_GDT     S    70_F     S    70_A      7    8   28      3    6    7   13   17   19   21   22   24   26   27   27   27   28   31   33   36   39   40   42 
LCS_GDT     F    71_F     F    71_A      7    8   28      3    6    7    8   16   19   21   22   24   26   27   27   27   28   31   33   36   39   40   42 
LCS_GDT     T    72_F     T    72_A      7    8   28      3    6    7    8   16   19   21   22   24   26   27   27   27   28   31   33   36   39   40   42 
LCS_GDT     L    73_F     L    73_A      7    8   28      3    6    7    8   12   16   20   22   24   26   27   27   27   28   31   33   36   39   40   45 
LCS_GDT     G    74_F     G    74_A      7    8   28      3    6    7    8   10   14   19   22   24   26   27   27   27   28   31   33   36   39   40   45 
LCS_GDT     G    75_F     G    75_A      7    8   28      3    3    7    8    9    9   13   14   17   21   23   25   26   28   31   33   36   39   40   45 
LCS_GDT     H    76_F     H    76_A      4    8   28      0    4    5    6    6    8   10   14   15   19   21   24   26   28   31   33   36   39   40   45 
LCS_GDT     C    77_F     C    77_A      4    4   27      3    4    5    6    6    8    9   14   15   16   20   23   26   28   31   33   36   39   40   45 
LCS_GDT     Q    78_F     Q    78_A      4    4   24      3    4    5    6    6    7   10   11   13   15   20   24   25   27   31   33   36   39   40   45 
LCS_GDT     A    79_F     A    79_A      4    4   24      3    4    5    6    7    9   10   11   15   16   20   24   25   27   31   33   36   39   40   42 
LCS_GDT     P    80_F     P    80_A      3    4   24      0    3    4    4    5    9   10   11   15   16   20   24   25   27   31   33   36   39   40   42 
LCS_GDT     L    81_F     L    81_A      3    5   24      1    3    4    4    6    7    9   12   15   17   20   24   26   28   31   33   36   39   40   42 
LCS_GDT     N    82_F     N    82_A      4    6   24      4    4    4    6    6    8    9   11   15   16   20   23   26   27   31   33   36   39   40   42 
LCS_GDT     A    83_F     A    83_A      4    6   24      4    4    4    6    6    7    8   10   14   15   18   22   25   27   30   33   35   39   40   42 
LCS_GDT     F    84_F     F    84_A      4    6   24      4    4    4    6    7    7   10   12   15   16   20   24   25   27   28   33   34   37   40   45 
LCS_GDT     S    85_F     S    85_A      4    6   24      4    4    4    6    6    8    9   12   15   16   20   24   25   27   31   33   36   39   40   42 
LCS_GDT     F    86_F     F    86_A      4    6   24      3    4    4    6    7    8   10   12   15   16   20   24   26   27   31   33   36   39   40   42 
LCS_GDT     V    87_F     V    87_A      4    6   24      3    4    4    6    8    9   10   12   15   16   20   24   25   27   31   33   35   37   40   45 
LCS_GDT     L    88_F     L    88_A      4    6   24      3    4    4    6    7    7   10   12   15   16   20   24   25   27   28   29   34   36   40   45 
LCS_GDT     P    89_F     P    89_A      4    6   24      3    4    4    6    6    7    9   12   15   16   17   21   24   27   28   29   34   36   40   45 
LCS_GDT     G    90_F     G    90_A      3    6   24      3    3    4    6    6    7   10   12   15   16   17   21   25   26   28   29   34   36   40   45 
LCS_GDT     V    91_F     V    91_A      3    6   24      3    3    4    6    7    7   10   12   15   16   20   24   25   27   28   29   34   36   40   45 
LCS_GDT     N    92_F     N    92_A      3    5   24      3    3    4    4    6    7    9   12   15   16   17   24   25   27   28   29   34   36   40   45 
LCS_GDT     D    93_F     D    93_A      3    5   24      3    3    4    6    7    7   10   12   15   16   20   24   25   27   28   29   34   36   40   45 
LCS_GDT     R    94_F     R    94_A      3    5   24      3    3    4    6    7    7   10   11   13   16   20   24   25   27   28   29   34   36   40   45 
LCS_GDT     A    95_F     A    95_A      3    5   24      3    3    4    5    5    6    9   11   13   16   20   24   25   27   28   29   34   36   40   45 
LCS_GDT     T    96_F     T    96_A      4    6   24      3    5    5    6    7    8   10   12   13   16   19   24   25   27   28   29   34   36   40   45 
LCS_GDT     V    97_F     V    97_A      4    6   24      3    5    5    6    7    8   10   12   13   16   20   24   25   27   28   29   34   36   40   45 
LCS_GDT     A    98_F     A    98_A      4    6   24      3    5    5    6    7    8   10   12   13   19   20   24   25   27   28   29   34   36   40   45 
LCS_GDT     T    99_F     T    99_A      4    6   24      3    5    5    6    7    8   10   12   15   19   20   24   25   27   28   29   34   36   40   45 
LCS_GDT     A   100_F     A   100_A      4    6   24      3    4    5    6    7    8   10   12   15   19   20   24   25   27   28   29   34   36   40   45 
LCS_GDT     D   101_F     D   101_A      7   10   24      4    5    7    8    8   10   11   12   15   19   20   24   25   27   28   29   34   36   40   45 
LCS_GDT     E   102_F     E   102_A      7   10   19      4    6    7    8   10   11   14   15   15   15   16   17   20   25   27   29   31   33   36   45 
LCS_GDT     A   103_F     A   103_A      7   10   19      4    6    7    8   10   11   14   15   15   15   16   17   20   24   25   28   31   36   40   45 
LCS_GDT     K   104_F     K   104_A      7   10   19      4    6    7    8   10   11   14   15   15   19   20   24   24   25   27   29   34   36   40   45 
LCS_GDT     K   105_F     K   105_A      7   10   19      4    6    7    8   10   11   11   12   14   19   20   24   24   27   28   29   34   36   40   45 
LCS_GDT     W   106_F     W   106_A      7   10   19      4    6    7    8   10   11   11   12   13   15   17   18   20   24   26   29   34   36   40   45 
LCS_GDT     E   107_F     E   107_A      7   10   19      4    6    7    8   10   11   11   12   13   15   17   24   24   25   27   29   34   36   40   45 
LCS_GDT     N   108_F     N   108_A      4   10   19      4    4    7    8   10   11   11   11   13   19   20   24   24   25   27   29   31   36   39   41 
LCS_GDT     C   109_F     C   109_A      4   10   19      4    5    7    8   10   11   11   11   13   15   17   18   20   23   27   29   34   36   40   45 
LCS_GDT     D   110_F     D   110_A      3   10   19      3    3    3    5   10   11   11   12   13   15   17   18   20   23   26   27   31   32   37   41 
LCS_GDT     A   111_F     A   111_A      3    3   19      1    3    4    4    4    6    9   11   13   13   16   17   19   21   25   27   29   32   33   36 
LCS_GDT     T   112_F     T   112_A      3    3   18      1    3    4    4    4    5   10   13   17   22   22   25   26   27   28   30   31   32   34   37 
LCS_GDT     L   113_F     L   113_A      3    3   18      0    3    4    7    9   13   16   19   20   22   24   25   26   27   28   30   31   32   34   39 
LCS_GDT     T   114_F     T   114_A      3    3   15      0    3    4    5    7   11   16   18   20   22   24   25   26   27   28   30   31   31   34   39 
LCS_GDT     G   115_F     G   115_A      3    4   14      0    3    3    3    4    7    9   12   14   18   23   25   25   25   26   28   29   33   36   39 
LCS_GDT     L   116_F     L   116_A      3    4   12      1    3    3    3    4    6    8   10   12   15   17   18   22   25   26   29   32   34   37   40 
LCS_GDT     Q   117_F     Q   117_A      3    7   12      1    3    3    5    6    9    9   10   12   15   16   19   22   25   26   29   33   34   37   40 
LCS_GDT     R   118_F     R   118_A      5    7   12      1    4    5    6    8    9    9   12   14   15   18   20   22   25   28   33   33   36   37   40 
LCS_GDT     I   119_F     I   119_A      5    7   12      3    4    5    6    8    9    9   12   15   17   21   22   26   27   31   33   35   39   40   42 
LCS_GDT     I   120_F     I   120_A      5    7   12      3    4    5    6    8    9    9   11   15   16   20   23   26   27   31   33   35   39   40   42 
LCS_GDT     H   121_F     H   121_A      5    7   12      3    4    5    6    8    9   11   12   15   17   21   23   26   27   31   33   36   39   40   42 
LCS_GDT     H   122_F     H   122_A      5    7   12      3    4    5    6    8   11   13   14   15   19   22   23   26   28   31   33   36   39   40   42 
LCS_GDT     H   123_F     H   123_A      5    7   12      3    4    5    6    8    9    9    9   13   19   20   23   26   28   30   33   36   39   40   42 
LCS_GDT     H   124_F     H   124_A      3    7   12      0    3    3    4    5    5    7    7    8   10   10   10   12   16   18   22   23   26   35   38 
LCS_AVERAGE  LCS_A:   9.59  (   4.51    6.39   17.88 )

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     13     14     15     17     19     21     22     24     26     27     27     27     28     31     33     36     39     40     45 
GDT PERCENT_AT   6.45  10.48  11.29  12.10  13.71  15.32  16.94  17.74  19.35  20.97  21.77  21.77  21.77  22.58  25.00  26.61  29.03  31.45  32.26  36.29
GDT RMS_LOCAL    0.27   0.66   0.76   0.88   1.56   1.83   2.11   2.24   2.69   2.94   3.12   3.12   3.12   4.74   5.26   5.52   6.00   6.27   6.89   7.32
GDT RMS_ALL_AT  21.43  21.79  21.86  21.97  23.37  23.39  22.65  22.86  22.71  23.03  22.94  22.94  22.94  22.69  22.11  22.24  22.62  22.38  24.78  25.00

# Checking swapping
#   possible swapping detected:  F     2_F      F     2_A
#   possible swapping detected:  F     8_F      F     8_A
#   possible swapping detected:  D    22_F      D    22_A
#   possible swapping detected:  E    23_F      E    23_A
#   possible swapping detected:  Y    28_F      Y    28_A
#   possible swapping detected:  F    38_F      F    38_A
#   possible swapping detected:  E    52_F      E    52_A
#   possible swapping detected:  F    71_F      F    71_A
#   possible swapping detected:  F    86_F      F    86_A
#   possible swapping detected:  D    93_F      D    93_A
#   possible swapping detected:  D   101_F      D   101_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    32.827     0    0.392   0.767    33.597    0.000    0.000
LGA    F     2_F      F     2_A    28.688     0    0.051   1.366    30.440    0.000    0.000
LGA    T     3_F      T     3_A    24.679     0    0.705   1.394    25.785    0.000    0.000
LGA    G     4_F      G     4_A    23.596     0    0.246   0.246    26.092    0.000    0.000
LGA    W     5_F      W     5_A    26.712     0    0.185   1.112    30.188    0.000    0.000
LGA    S     6_F      S     6_A    26.712     0    0.039   0.449    28.698    0.000    0.000
LGA    P     7_F      P     7_A    29.046     0    0.103   0.227    29.280    0.000    0.000
LGA    F     8_F      F     8_A    29.648     0    0.074   1.155    29.826    0.000    0.000
LGA    K     9_F      K     9_A    29.388     0    0.106   1.579    32.055    0.000    0.000
LGA    Y    10_F      Y    10_A    29.540     0    0.113   1.322    30.354    0.000    0.000
LGA    S    11_F      S    11_A    29.569     0    0.092   0.617    29.968    0.000    0.000
LGA    K    12_F      K    12_A    31.067     0    0.063   1.067    41.280    0.000    0.000
LGA    G    13_F      G    13_A    27.022     0    0.669   0.669    28.489    0.000    0.000
LGA    N    14_F      N    14_A    20.879     0    0.053   0.209    23.868    0.000    0.000
LGA    T    15_F      T    15_A    14.220     0    0.102   0.276    16.761    0.000    0.000
LGA    V    16_F      V    16_A     9.333     0    0.116   1.083    11.553    9.048    5.238
LGA    T    17_F      T    17_A     3.281     0    0.042   1.130     7.092   55.476   41.361
LGA    F    18_F      F    18_A     4.852     0    0.087   1.207    11.285   29.762   12.771
LGA    K    19_F      K    19_A     9.105     0    0.078   0.774    11.293    2.857    3.175
LGA    T    20_F      T    20_A    15.686     0    0.075   1.132    19.301    0.000    0.000
LGA    P    21_F      P    21_A    19.197     0    0.051   0.143    22.563    0.000    0.000
LGA    D    22_F      D    22_A    24.717     0    0.460   1.236    28.525    0.000    0.000
LGA    E    23_F      E    23_A    24.069     0    0.305   1.068    27.905    0.000    0.000
LGA    S    24_F      S    24_A    27.819     0    0.554   0.878    30.135    0.000    0.000
LGA    S    25_F      S    25_A    24.862     0    0.593   0.756    26.102    0.000    0.000
LGA    I    26_F      I    26_A    18.875     0    0.182   1.228    20.963    0.000    0.000
LGA    A    27_F      A    27_A    22.996     0    0.130   0.130    25.282    0.000    0.000
LGA    Y    28_F      Y    28_A    26.844     0    0.261   1.360    37.115    0.000    0.000
LGA    M    29_F      M    29_A    21.963     0    0.599   1.144    23.089    0.000    0.000
LGA    R    30_F      R    30_A    21.484     0    0.537   1.601    22.363    0.000    0.000
LGA    F    31_F      F    31_A    23.852     0    0.651   1.265    27.693    0.000    0.000
LGA    R    32_F      R    32_A    29.178     0    0.141   1.040    39.602    0.000    0.000
LGA    N    33_F      N    33_A    32.073     0    0.400   0.661    35.208    0.000    0.000
LGA    C    34_F      C    34_A    30.743     0    0.607   0.586    31.613    0.000    0.000
LGA    V    35_F      V    35_A    28.495     0    0.352   0.454    30.852    0.000    0.000
LGA    F    36_F      F    36_A    23.804     0    0.604   1.323    26.204    0.000    0.000
LGA    T    37_F      T    37_A    24.848     0    0.592   0.646    26.554    0.000    0.000
LGA    F    38_F      F    38_A    27.582     0    0.587   0.934    31.849    0.000    0.000
LGA    T    39_F      T    39_A    31.879     0    0.544   0.579    32.973    0.000    0.000
LGA    D    40_F      D    40_A    31.919     0    0.037   0.844    32.882    0.000    0.000
LGA    P    41_F      P    41_A    32.070     0    0.688   0.612    33.025    0.000    0.000
LGA    K    42_F      K    42_A    31.894     0    0.068   0.614    32.406    0.000    0.000
LGA    G    43_F      G    43_A    32.779     0    0.230   0.230    32.779    0.000    0.000
LGA    S    44_F      S    44_A    33.444     0    0.594   0.611    37.221    0.000    0.000
LGA    L    45_F      L    45_A    27.813     0    0.082   1.193    30.152    0.000    0.000
LGA    H    46_F      H    46_A    22.485     0    0.123   1.086    24.130    0.000    0.000
LGA    S    47_F      S    47_A    16.953     0    0.038   0.060    19.048    0.000    0.000
LGA    I    48_F      I    48_A    12.298     0    0.044   0.157    13.677    0.357    0.179
LGA    D    49_F      D    49_A     8.738     0    0.575   0.850    14.389    9.405    4.702
LGA    V    50_F      V    50_A     2.168     0    0.645   0.585     4.744   60.476   61.905
LGA    T    51_F      T    51_A     1.353     0    0.048   0.081     1.722   79.286   80.204
LGA    E    52_F      E    52_A     1.725     0    0.064   0.655     4.879   79.405   58.201
LGA    V    53_F      V    53_A     1.478     0    0.041   0.075     2.702   81.429   72.109
LGA    L    54_F      L    54_A     1.241     0    0.031   1.006     5.800   81.429   63.631
LGA    N    55_F      N    55_A     1.323     0    0.050   1.138     4.520   81.429   72.024
LGA    N    56_F      N    56_A     0.947     0    0.044   0.970     4.791   85.952   67.143
LGA    M    57_F      M    57_A     1.544     0    0.032   1.272     7.840   75.000   56.190
LGA    A    58_F      A    58_A     1.803     0    0.045   0.058     2.063   70.833   69.619
LGA    K    59_F      K    59_A     1.195     0    0.116   0.993     8.245   81.429   56.190
LGA    G    60_F      G    60_A     1.789     0    0.174   0.174     2.966   69.048   69.048
LGA    F    61_F      F    61_A     2.068     0    0.241   0.191     4.124   72.976   55.455
LGA    R    62_F      R    62_A     1.981     0    0.313   1.124     4.438   70.833   55.455
LGA    D    63_F      D    63_A     1.526     0    0.252   0.269     3.540   77.143   66.369
LGA    A    64_F      A    64_A     3.539     0    0.607   0.601     5.003   45.714   41.810
LGA    Q    65_F      Q    65_A     5.994     0    0.581   1.134    14.090   27.619   12.804
LGA    N    66_F      N    66_A     2.395     0    0.502   0.493     6.114   71.667   52.083
LGA    P    67_F      P    67_A     3.194     0    0.029   0.409     7.116   55.476   40.068
LGA    P    68_F      P    68_A     1.056     0    0.063   0.476     5.448   55.595   50.816
LGA    S    69_F      S    69_A     5.717     0    0.689   0.603     7.782   33.333   25.079
LGA    S    70_F      S    70_A     3.768     0    0.118   0.213     4.560   40.476   38.413
LGA    F    71_F      F    71_A     2.727     0    0.151   1.131     3.361   60.952   60.736
LGA    T    72_F      T    72_A     3.432     0    0.033   0.121     5.151   40.833   41.973
LGA    L    73_F      L    73_A     5.847     0    0.229   1.097     7.785   19.048   17.917
LGA    G    74_F      G    74_A     7.434     0    0.605   0.605     9.080    6.905    6.905
LGA    G    75_F      G    75_A    13.018     0    0.684   0.684    15.836    0.000    0.000
LGA    H    76_F      H    76_A    18.008     0    0.633   1.252    20.538    0.000    0.000
LGA    C    77_F      C    77_A    20.763     0    0.702   0.885    21.135    0.000    0.000
LGA    Q    78_F      Q    78_A    20.860     0    0.413   0.833    23.595    0.000    0.000
LGA    A    79_F      A    79_A    21.491     0    0.590   0.588    22.378    0.000    0.000
LGA    P    80_F      P    80_A    17.130     0    0.671   0.725    19.456    0.000    0.000
LGA    L    81_F      L    81_A    13.571     0    0.596   1.474    17.587    0.000    0.000
LGA    N    82_F      N    82_A    19.888     0    0.590   1.175    22.156    0.000    0.000
LGA    A    83_F      A    83_A    20.884     0    0.149   0.150    21.621    0.000    0.000
LGA    F    84_F      F    84_A    20.206     0    0.302   1.351    26.372    0.000    0.000
LGA    S    85_F      S    85_A    19.763     0    0.133   0.139    20.325    0.000    0.000
LGA    F    86_F      F    86_A    20.866     0    0.600   1.309    23.986    0.000    0.000
LGA    V    87_F      V    87_A    22.354     0    0.074   0.136    22.902    0.000    0.000
LGA    L    88_F      L    88_A    26.470     0    0.031   0.222    31.484    0.000    0.000
LGA    P    89_F      P    89_A    28.804     0    0.612   0.533    32.386    0.000    0.000
LGA    G    90_F      G    90_A    35.871     0    0.124   0.124    37.987    0.000    0.000
LGA    V    91_F      V    91_A    33.470     0    0.605   0.924    34.662    0.000    0.000
LGA    N    92_F      N    92_A    32.961     0    0.558   0.486    32.961    0.000    0.000
LGA    D    93_F      D    93_A    32.543     0    0.088   0.831    38.045    0.000    0.000
LGA    R    94_F      R    94_A    35.164     0    0.258   1.349    36.578    0.000    0.000
LGA    A    95_F      A    95_A    35.112     0    0.039   0.048    35.854    0.000    0.000
LGA    T    96_F      T    96_A    34.044     0    0.605   0.555    36.291    0.000    0.000
LGA    V    97_F      V    97_A    32.219     0    0.186   1.064    32.261    0.000    0.000
LGA    A    98_F      A    98_A    33.301     0    0.624   0.563    35.298    0.000    0.000
LGA    T    99_F      T    99_A    32.795     0    0.059   1.031    36.057    0.000    0.000
LGA    A   100_F      A   100_A    27.955     0    0.621   0.581    30.245    0.000    0.000
LGA    D   101_F      D   101_A    29.403     0    0.631   1.081    34.218    0.000    0.000
LGA    E   102_F      E   102_A    27.133     0    0.022   1.021    29.838    0.000    0.000
LGA    A   103_F      A   103_A    26.699     0    0.076   0.074    26.983    0.000    0.000
LGA    K   104_F      K   104_A    28.051     0    0.085   1.221    29.975    0.000    0.000
LGA    K   105_F      K   105_A    28.133     0    0.102   1.498    33.332    0.000    0.000
LGA    W   106_F      W   106_A    25.595     0    0.249   0.764    27.194    0.000    0.000
LGA    E   107_F      E   107_A    26.563     0    0.041   0.750    29.546    0.000    0.000
LGA    N   108_F      N   108_A    27.680     0    0.315   0.304    29.113    0.000    0.000
LGA    C   109_F      C   109_A    26.386     0    0.600   1.093    26.595    0.000    0.000
LGA    D   110_F      D   110_A    27.111     0    0.599   0.980    29.274    0.000    0.000
LGA    A   111_F      A   111_A    27.688     0    0.612   0.588    27.688    0.000    0.000
LGA    T   112_F      T   112_A    25.219     0    0.588   1.035    26.750    0.000    0.000
LGA    L   113_F      L   113_A    24.151     0    0.626   1.169    25.788    0.000    0.000
LGA    T   114_F      T   114_A    28.680     0    0.574   1.007    33.190    0.000    0.000
LGA    G   115_F      G   115_A    28.721     0    0.531   0.531    28.721    0.000    0.000
LGA    L   116_F      L   116_A    25.052     0    0.639   1.387    26.848    0.000    0.000
LGA    Q   117_F      Q   117_A    24.248     0    0.626   1.150    26.184    0.000    0.000
LGA    R   118_F      R   118_A    24.536     0    0.357   1.538    30.199    0.000    0.000
LGA    I   119_F      I   119_A    18.321     0    0.600   1.442    20.787    0.000    0.000
LGA    I   120_F      I   120_A    19.879     0    0.056   0.623    22.929    0.000    0.000
LGA    H   121_F      H   121_A    19.257     0    0.096   0.940    23.829    0.000    0.000
LGA    H   122_F      H   122_A    14.676     0    0.069   1.005    15.811    0.000    0.286
LGA    H   123_F      H   123_A    15.297     0    0.111   1.071    17.174    0.000    0.000
LGA    H   124_F      H   124_A    14.332     0    0.654   0.736    17.311    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):    18.152         18.058                 18.696           13.155   10.967

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     22    2.24    16.734    14.413     0.940

LGA_LOCAL      RMSD:   2.241  Number of atoms:   22  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  22.864  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  18.152  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.058588 * X  +   0.162498 * Y  +   0.984968 * Z  + -61.967140
  Y_new =   0.997670 * X  +   0.044087 * Y  +   0.052071 * Z  +  19.844488
  Z_new =  -0.034963 * X  +   0.985723 * Y  +  -0.164703 * Z  +  -0.356280 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.629454  0.034970  1.736355   [DEG:   93.3608    2.0036   99.4858 ]
ZXZ:  1.623612  1.736253 -0.035454   [DEG:   93.0261   99.4800   -2.0314 ]
 
# END of job
