
#######################################################
#                                                     #
#                        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:    37      35_A - 71_A        4.97    19.96
  LONGEST_CONTINUOUS_SEGMENT:    37      36_A - 72_A        4.94    20.09
  LCS_AVERAGE:     21.35

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      49_A - 71_A        1.99    19.59
  LCS_AVERAGE:      9.10

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    13      49_A - 61_A        0.94    18.96
  LCS_AVERAGE:      4.49

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    9   21      4    4    5    7    8    9   10   12   13   14   15   16   17   19   23   26   29   30   34   37 
LCS_GDT     F     2_F     F     2_A      4    9   22      4    4    4    7    8    9   10   12   13   14   15   18   22   26   30   33   36   38   44   45 
LCS_GDT     T     3_F     T     3_A      4    9   22      4    4    5    7    8   11   14   19   22   25   27   27   29   31   35   38   42   45   46   48 
LCS_GDT     G     4_F     G     4_A      4    9   22      4    4    5    7    9   11   16   19   22   25   27   27   29   31   35   38   42   45   46   48 
LCS_GDT     W     5_F     W     5_A      4    9   22      3    4    6    9   11   13   16   19   22   25   27   27   29   31   35   38   42   45   46   48 
LCS_GDT     S     6_F     S     6_A      4    9   22      3    4    5    9   12   13   16   19   22   25   27   27   29   31   35   38   42   45   46   48 
LCS_GDT     P     7_F     P     7_A      4    9   22      3    4    5    7   12   13   16   19   22   25   27   27   29   31   35   38   42   45   46   48 
LCS_GDT     F     8_F     F     8_A      4    9   22      3    4    4    8   12   13   16   19   22   25   27   27   29   31   35   38   42   45   46   48 
LCS_GDT     K     9_F     K     9_A      4    9   22      3    4    5    8   12   13   16   19   22   25   27   27   29   31   35   38   42   45   46   48 
LCS_GDT     Y    10_F     Y    10_A      4    6   22      3    4    4    5    6   12   15   19   22   25   27   27   29   31   35   38   42   45   46   48 
LCS_GDT     S    11_F     S    11_A      4    7   22      3    4    6    6    7    9   13   16   22   25   27   27   29   31   35   37   42   45   46   48 
LCS_GDT     K    12_F     K    12_A      4    7   22      4    4    6    6    7    9   13   18   22   25   27   27   29   31   35   38   42   45   46   48 
LCS_GDT     G    13_F     G    13_A      4    7   22      4    4    6    6    7    9   15   17   20   22   24   27   29   31   35   38   42   45   46   48 
LCS_GDT     N    14_F     N    14_A      6    9   22      4    4    6    9   12   13   16   19   22   25   27   28   29   31   35   38   42   45   46   48 
LCS_GDT     T    15_F     T    15_A      6    9   22      4    4    6    9   12   15   18   20   22   25   27   29   35   38   40   41   43   47   48   50 
LCS_GDT     V    16_F     V    16_A      6    9   22      3    6    6    9   12   16   19   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     T    17_F     T    17_A      6    9   22      5    6    6    9   18   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     F    18_F     F    18_A      6    9   22      5    6    6    9   12   13   16   19   22   25   29   31   32   34   35   38   42   45   46   48 
LCS_GDT     K    19_F     K    19_A      6    9   22      5    6    6    9   12   13   16   19   22   25   27   27   29   31   35   38   42   45   46   48 
LCS_GDT     T    20_F     T    20_A      6    9   22      5    6    7    9   12   13   16   19   21   25   27   27   29   31   35   38   42   45   46   48 
LCS_GDT     P    21_F     P    21_A      6    9   22      5    6    7    9   12   13   16   19   21   25   27   27   29   31   33   38   42   45   46   48 
LCS_GDT     D    22_F     D    22_A      6    9   22      3    4    7    9    9    9   11   14   17   20   23   27   29   31   34   38   42   45   46   48 
LCS_GDT     E    23_F     E    23_A      6    8   22      3    4    7    9    9    9   11   14   17   19   23   25   29   31   35   38   42   45   46   48 
LCS_GDT     S    24_F     S    24_A      6    8   22      3    4    7    9    9   12   13   14   17   19   23   25   26   29   34   37   42   45   46   48 
LCS_GDT     S    25_F     S    25_A      6   10   20      3    5    7    9   10   12   13   14   17   18   20   22   25   28   30   33   39   43   45   48 
LCS_GDT     I    26_F     I    26_A      5   10   20      3    5    7    9   10   12   13   14   17   19   23   25   27   31   34   38   42   45   46   48 
LCS_GDT     A    27_F     A    27_A      4   10   20      3    4    5    9    9    9   11   11   13   18   20   22   23   28   30   33   39   42   45   48 
LCS_GDT     Y    28_F     Y    28_A      4   10   20      3    4    6    9   10   12   13   14   17   19   23   25   28   31   34   38   42   45   46   48 
LCS_GDT     M    29_F     M    29_A      4   10   20      0    3    5    9   10   12   15   19   22   25   27   27   29   31   35   38   42   45   46   48 
LCS_GDT     R    30_F     R    30_A      4   10   20      1    3    5    9   10   13   16   19   22   25   27   27   29   31   35   38   42   45   46   48 
LCS_GDT     F    31_F     F    31_A      4   10   21      4    4    5    9   10   12   16   19   22   25   27   27   29   31   35   38   42   45   46   48 
LCS_GDT     R    32_F     R    32_A      4   10   22      4    5    6    9   10   12   13   14   17   21   24   26   29   31   35   38   42   45   46   48 
LCS_GDT     N    33_F     N    33_A      4   10   23      4    4    5    9   10   12   13   17   21   23   27   27   30   34   36   39   43   47   48   50 
LCS_GDT     C    34_F     C    34_A      4   10   32      4    5    6    9   10   12   15   18   21   23   27   27   30   34   36   39   43   47   48   50 
LCS_GDT     V    35_F     V    35_A      6    8   37      3    5    7    8    9   12   15   18   21   23   27   27   30   35   40   41   43   47   48   50 
LCS_GDT     F    36_F     F    36_A      6    8   37      3    5    7    8   14   15   18   23   25   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     T    37_F     T    37_A      6   11   37      3    5    8   11   14   15   18   23   25   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     F    38_F     F    38_A      6   11   37      3    5    8   11   15   17   22   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     T    39_F     T    39_A      6   11   37      4    5    9   13   15   17   22   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     D    40_F     D    40_A      6   11   37      4    5    8   11   14   16   20   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     P    41_F     P    41_A      5   11   37      4    5    7   10   13   16   18   20   22   25   30   33   35   38   40   41   43   47   48   50 
LCS_GDT     K    42_F     K    42_A      5   11   37      4    5    7   10   11   14   16   20   22   25   27   29   33   38   40   41   43   47   48   50 
LCS_GDT     G    43_F     G    43_A      5   11   37      3    5    7   10   11   12   15   18   20   25   26   29   30   34   40   41   43   47   48   50 
LCS_GDT     S    44_F     S    44_A      5   11   37      2    4    7   10   11   14   16   18   22   25   27   29   32   38   40   41   43   47   48   50 
LCS_GDT     L    45_F     L    45_A      5   11   37      3    4    7   10   11   12   15   18   20   25   26   29   31   36   40   41   43   47   48   50 
LCS_GDT     H    46_F     H    46_A      4   12   37      3    5    7   10   12   16   18   20   22   27   30   33   35   38   40   41   43   47   48   50 
LCS_GDT     S    47_F     S    47_A      4   15   37      3    5    7   11   15   16   21   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     I    48_F     I    48_A      4   16   37      3    4    4   10   13   16   19   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     D    49_F     D    49_A     13   23   37      9   12   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     V    50_F     V    50_A     13   23   37      9   12   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     T    51_F     T    51_A     13   23   37      9   12   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     E    52_F     E    52_A     13   23   37      9   12   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     V    53_F     V    53_A     13   23   37      9   12   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     L    54_F     L    54_A     13   23   37      9   12   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     N    55_F     N    55_A     13   23   37      9   12   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     N    56_F     N    56_A     13   23   37      9   12   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     M    57_F     M    57_A     13   23   37      9   12   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     A    58_F     A    58_A     13   23   37      6   12   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     K    59_F     K    59_A     13   23   37      6   12   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     G    60_F     G    60_A     13   23   37      6   12   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     F    61_F     F    61_A     13   23   37      4    6   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     R    62_F     R    62_A     10   23   37      4    5    8   14   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     D    63_F     D    63_A      4   23   37      3    4   11   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     A    64_F     A    64_A      4   23   37      3    4   10   15   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     Q    65_F     Q    65_A      4   23   37      3    4    4    6   12   21   23   24   26   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     N    66_F     N    66_A      4   23   37      3    4   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     P    67_F     P    67_A      4   23   37      3    7   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     P    68_F     P    68_A      4   23   37      3    4   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     S    69_F     S    69_A      5   23   37      3    4    6    8    9   20   22   24   26   29   32   32   33   36   39   40   42   44   46   49 
LCS_GDT     S    70_F     S    70_A      5   23   37      3    7   12   18   19   21   23   24   27   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     F    71_F     F    71_A      5   23   37      3    4    8   15   17   21   23   24   26   29   32   33   35   38   40   41   43   47   48   50 
LCS_GDT     T    72_F     T    72_A      5    9   37      3    4    6    9   14   16   18   22   24   25   27   28   34   36   40   41   43   47   48   50 
LCS_GDT     L    73_F     L    73_A      5    9   31      3    4    6    9   13   16   18   20   23   25   27   27   30   34   37   41   43   47   48   50 
LCS_GDT     G    74_F     G    74_A      5    9   30      3    4    6    8    9   12   13   18   21   23   27   27   30   32   36   38   41   44   46   48 
LCS_GDT     G    75_F     G    75_A      4    9   29      3    3    4    8    9   12   13   18   21   23   27   27   30   32   36   38   42   45   46   48 
LCS_GDT     H    76_F     H    76_A      4    9   22      3    3    4    8    9   12   12   15   21   22   27   27   29   30   36   38   41   44   46   48 
LCS_GDT     C    77_F     C    77_A      4    6   19      3    3    4    6    8   10   13   18   21   23   27   27   30   32   36   38   40   43   45   47 
LCS_GDT     Q    78_F     Q    78_A      4    6   19      3    3    4    4    8   12   13   18   21   22   27   27   30   32   36   38   40   41   44   47 
LCS_GDT     A    79_F     A    79_A      3    4   19      3    3    3    5    8   10   13   18   21   23   27   27   30   32   36   38   40   43   44   47 
LCS_GDT     P    80_F     P    80_A      3    4   19      3    3    4    4    8   10   13   18   21   23   27   27   30   33   36   38   41   43   44   47 
LCS_GDT     L    81_F     L    81_A      3    4   19      3    3    7    9   14   16   18   22   23   25   27   27   30   34   37   41   43   47   48   50 
LCS_GDT     N    82_F     N    82_A      3    5   19      3    3    4    4    5    6   12   20   22   23   27   27   30   34   37   41   43   47   48   50 
LCS_GDT     A    83_F     A    83_A      3    5   19      0    3    3    4    5    8    8   10   16   23   27   27   30   33   36   39   42   44   48   50 
LCS_GDT     F    84_F     F    84_A      3    5   19      1    3    4    4    5    8   10   18   21   23   27   27   30   34   36   39   42   46   48   50 
LCS_GDT     S    85_F     S    85_A      3    6   19      3    3    5    6    7   11   12   19   22   25   28   33   35   38   40   41   43   47   48   50 
LCS_GDT     F    86_F     F    86_A      4    6   19      3    4    7    9   11   13   15   18   21   25   27   29   35   38   40   41   43   47   48   50 
LCS_GDT     V    87_F     V    87_A      4    6   26      3    8   10   10   12   14   14   18   21   23   27   27   30   34   36   39   41   43   46   50 
LCS_GDT     L    88_F     L    88_A      4    6   26      3    4    4    6    7   11   14   18   21   22   27   27   28   30   36   37   39   41   42   43 
LCS_GDT     P    89_F     P    89_A      4    6   26      3    4    4    7   11   13   16   18   21   22   27   27   28   30   30   37   39   41   42   43 
LCS_GDT     G    90_F     G    90_A      4    6   26      3    3    4    6    8   11   15   18   18   20   22   24   25   28   30   32   33   34   35   42 
LCS_GDT     V    91_F     V    91_A      4    6   26      3    3    4    4    6    8   12   13   16   20   21   24   27   28   33   34   36   39   41   43 
LCS_GDT     N    92_F     N    92_A      3    6   26      3    3    4    8    8   12   15   18   22   25   27   27   29   31   33   35   36   39   41   43 
LCS_GDT     D    93_F     D    93_A      3    6   26      3    3    4    4    4   10   14   18   18   20   22   23   24   27   29   35   35   36   39   43 
LCS_GDT     R    94_F     R    94_A      3    6   26      3    3    4    4    8   11   15   18   18   20   22   23   24   26   28   30   32   35   39   43 
LCS_GDT     A    95_F     A    95_A      3    6   26      3    3    4    5    6    8    9   13   15   17   20   20   24   26   27   30   31   33   38   42 
LCS_GDT     T    96_F     T    96_A      3    6   26      3    3    4    5    6    9   13   15   17   19   20   22   23   24   24   28   31   33   37   42 
LCS_GDT     V    97_F     V    97_A      4   11   26      3    4    5    8    9   13   16   18   18   20   21   22   23   24   25   29   31   35   38   43 
LCS_GDT     A    98_F     A    98_A      4   12   26      3    4    5    8   12   13   16   18   18   20   21   22   23   24   26   30   32   35   38   43 
LCS_GDT     T    99_F     T    99_A      9   13   26      3    8   10   10   12   14   16   18   18   19   20   22   23   24   27   31   33   35   39   40 
LCS_GDT     A   100_F     A   100_A      9   13   26      4    8   10   10   12   14   16   18   18   20   21   22   23   24   27   31   33   35   39   40 
LCS_GDT     D   101_F     D   101_A      9   13   26      4    8   10   10   12   14   16   18   18   20   21   22   23   24   27   31   33   35   39   40 
LCS_GDT     E   102_F     E   102_A      9   13   26      4    8   10   10   12   14   16   18   18   20   21   22   23   24   27   31   33   35   39   40 
LCS_GDT     A   103_F     A   103_A      9   13   26      4    8   10   10   12   14   16   18   18   20   21   22   23   24   27   31   33   35   39   40 
LCS_GDT     K   104_F     K   104_A      9   13   26      4    8   10   10   12   14   16   18   18   20   21   22   23   24   27   31   33   35   39   40 
LCS_GDT     K   105_F     K   105_A      9   13   26      4    8   10   10   12   14   16   18   18   20   21   22   23   24   27   31   33   35   39   40 
LCS_GDT     W   106_F     W   106_A      9   13   26      4    6   10   10   12   14   16   18   18   20   21   22   23   24   27   31   33   35   39   40 
LCS_GDT     E   107_F     E   107_A      9   13   26      4    6   10   10   12   14   16   18   18   20   21   22   23   24   27   31   33   35   39   40 
LCS_GDT     N   108_F     N   108_A      4   13   26      3    4    4   10   12   14   16   18   18   20   21   22   23   24   27   31   32   35   39   40 
LCS_GDT     C   109_F     C   109_A      4   13   26      3    4    6   10   12   14   16   18   18   20   21   22   23   25   27   32   34   36   39   41 
LCS_GDT     D   110_F     D   110_A      4   13   26      3    3    4    6   10   14   16   18   18   20   21   22   24   25   31   32   34   36   39   41 
LCS_GDT     A   111_F     A   111_A      4   13   26      3    3    4    9   12   14   16   18   18   20   22   23   25   27   31   32   34   36   39   41 
LCS_GDT     T   112_F     T   112_A      3    5   26      1    3    5    6    8   10   13   16   18   20   22   23   26   27   31   32   35   38   42   45 
LCS_GDT     L   113_F     L   113_A      3    3   26      1    3    5    5    5    6    7    8   16   17   19   21   25   27   33   35   41   45   46   48 
LCS_GDT     T   114_F     T   114_A      3    3   19      0    3    5    5    5    5    5    7    9   14   21   25   29   31   35   38   42   45   46   48 
LCS_GDT     G   115_F     G   115_A      3    3   19      0    3    3    3    7   12   15   19   22   25   27   27   29   31   35   38   42   45   46   48 
LCS_GDT     L   116_F     L   116_A      3    3   10      0    3    4    4    8    9   11   15   21   25   27   27   29   31   35   38   42   45   46   48 
LCS_GDT     Q   117_F     Q   117_A      3    3   10      0    3    4    4    4    6   10   14   17   19   20   23   25   28   30   33   36   41   44   48 
LCS_GDT     R   118_F     R   118_A      3    3   10      0    3    4    4    6   12   13   16   18   20   21   23   25   27   28   31   33   35   38   42 
LCS_GDT     I   119_F     I   119_A      3    6   10      3    3    4    5    9   10   13   16   18   20   21   23   25   27   28   31   33   35   37   41 
LCS_GDT     I   120_F     I   120_A      3    6   10      3    3    4    5    6   12   13   16   18   20   21   23   25   27   28   30   32   35   38   41 
LCS_GDT     H   121_F     H   121_A      4    6   10      3    3    4    8    9   12   13   16   18   20   21   23   25   27   28   30   32   33   37   41 
LCS_GDT     H   122_F     H   122_A      4    6   10      3    3    4    5    6    6   10   15   18   20   21   23   25   27   28   30   32   35   37   40 
LCS_GDT     H   123_F     H   123_A      4    6   10      3    3    4    5    6    6    7    7    9   13   21   23   25   27   28   30   32   33   37   40 
LCS_GDT     H   124_F     H   124_A      4    6   10      0    3    4    4    4    6    6    6    7    7    7    9   10   10   15   16   29   30   33   37 
LCS_AVERAGE  LCS_A:  11.65  (   4.49    9.10   21.35 )

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      9     12     12     18     19     21     23     24     27     29     32     33     35     38     40     41     43     47     48     50 
GDT PERCENT_AT   7.26   9.68   9.68  14.52  15.32  16.94  18.55  19.35  21.77  23.39  25.81  26.61  28.23  30.65  32.26  33.06  34.68  37.90  38.71  40.32
GDT RMS_LOCAL    0.37   0.59   0.59   1.35   1.45   1.71   1.96   2.11   2.84   3.00   3.32   3.66   4.14   4.56   4.84   4.98   5.34   6.06   6.21   6.39
GDT RMS_ALL_AT  18.79  18.91  18.91  19.34  19.46  19.44  19.89  19.82  19.74  19.81  19.55  19.78  19.96  20.15  20.18  20.17  20.18  20.52  20.74  20.73

# 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:  F    36_F      F    36_A
#   possible swapping detected:  D    49_F      D    49_A
#   possible swapping detected:  E    52_F      E    52_A
#   possible swapping detected:  F    61_F      F    61_A
#   possible swapping detected:  D    63_F      D    63_A
#   possible swapping detected:  F    71_F      F    71_A
#   possible swapping detected:  F    84_F      F    84_A
#   possible swapping detected:  F    86_F      F    86_A
#   possible swapping detected:  D    93_F      D    93_A
#   possible swapping detected:  E   102_F      E   102_A
#   possible swapping detected:  E   107_F      E   107_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A    35.642     0    0.175   1.075    38.559    0.000    0.000
LGA    F     2_F      F     2_A    34.358     0    0.066   1.311    36.034    0.000    0.000
LGA    T     3_F      T     3_A    35.380     0    0.727   0.943    37.217    0.000    0.000
LGA    G     4_F      G     4_A    35.499     0    0.175   0.175    35.987    0.000    0.000
LGA    W     5_F      W     5_A    31.046     0    0.101   1.135    33.120    0.000    0.000
LGA    S     6_F      S     6_A    28.825     0    0.064   0.507    29.889    0.000    0.000
LGA    P     7_F      P     7_A    23.694     0    0.633   0.574    28.025    0.000    0.000
LGA    F     8_F      F     8_A    21.543     0    0.230   1.453    23.821    0.000    0.000
LGA    K     9_F      K     9_A    20.092     0    0.614   0.893    26.620    0.000    0.000
LGA    Y    10_F      Y    10_A    14.425     0    0.584   1.185    17.010    0.000    0.000
LGA    S    11_F      S    11_A    18.300     0    0.107   0.662    19.291    0.000    0.000
LGA    K    12_F      K    12_A    21.515     0    0.038   0.839    29.533    0.000    0.000
LGA    G    13_F      G    13_A    19.018     0    0.131   0.131    20.196    0.000    0.000
LGA    N    14_F      N    14_A    17.674     0    0.305   0.481    19.856    0.000    0.000
LGA    T    15_F      T    15_A    13.017     0    0.056   0.187    15.333    0.000    0.000
LGA    V    16_F      V    16_A     8.380     0    0.237   1.189    10.318    8.929    5.714
LGA    T    17_F      T    17_A     3.527     0    0.072   0.104     6.182   34.524   31.224
LGA    F    18_F      F    18_A     7.742     0    0.082   1.412     9.853    9.762    6.017
LGA    K    19_F      K    19_A    11.557     0    0.047   0.791    14.348    0.000    0.317
LGA    T    20_F      T    20_A    18.283     0    0.566   1.434    21.761    0.000    0.000
LGA    P    21_F      P    21_A    20.231     0    0.074   0.335    22.351    0.000    0.000
LGA    D    22_F      D    22_A    23.132     0    0.290   0.992    26.071    0.000    0.000
LGA    E    23_F      E    23_A    25.035     0    0.067   0.958    28.142    0.000    0.000
LGA    S    24_F      S    24_A    26.873     0    0.191   0.577    27.906    0.000    0.000
LGA    S    25_F      S    25_A    25.676     0    0.176   0.824    28.439    0.000    0.000
LGA    I    26_F      I    26_A    19.842     0    0.642   1.408    22.062    0.000    0.000
LGA    A    27_F      A    27_A    20.919     0    0.169   0.182    23.471    0.000    0.000
LGA    Y    28_F      Y    28_A    26.025     0    0.275   0.852    34.844    0.000    0.000
LGA    M    29_F      M    29_A    21.264     0    0.069   0.979    22.486    0.000    0.000
LGA    R    30_F      R    30_A    20.382     0    0.632   1.569    28.206    0.000    0.000
LGA    F    31_F      F    31_A    17.376     0    0.445   1.562    18.103    0.000    0.000
LGA    R    32_F      R    32_A    18.277     0    0.611   1.158    27.065    0.000    0.000
LGA    N    33_F      N    33_A    16.265     0    0.399   0.437    22.876    0.000    0.000
LGA    C    34_F      C    34_A    12.550     0    0.602   0.596    13.881    0.000    0.000
LGA    V    35_F      V    35_A    11.136     0    0.186   0.355    15.523    0.119    0.068
LGA    F    36_F      F    36_A     7.340     0    0.070   1.506    10.237    7.976    4.805
LGA    T    37_F      T    37_A     7.233     0    0.129   1.060     8.642   16.667   13.265
LGA    F    38_F      F    38_A     6.973     0    0.149   1.133    13.857    9.524    4.199
LGA    T    39_F      T    39_A     6.047     0    0.604   0.531     6.392   20.714   22.381
LGA    D    40_F      D    40_A     9.832     0    0.044   1.120    13.796    0.833    0.417
LGA    P    41_F      P    41_A    13.811     0    0.445   0.687    16.145    0.000    0.000
LGA    K    42_F      K    42_A    18.076     0    0.051   0.337    20.641    0.000    0.000
LGA    G    43_F      G    43_A    17.664     0    0.541   0.541    17.860    0.000    0.000
LGA    S    44_F      S    44_A    15.821     0    0.468   1.012    16.849    0.000    0.000
LGA    L    45_F      L    45_A    14.791     0    0.234   1.245    16.498    0.000    0.000
LGA    H    46_F      H    46_A    11.002     0    0.089   1.187    12.226    1.905    0.762
LGA    S    47_F      S    47_A     6.576     0    0.042   0.688    10.202    6.310    8.730
LGA    I    48_F      I    48_A     6.505     0    0.228   1.270    11.818   27.738   15.536
LGA    D    49_F      D    49_A     2.084     0    0.629   0.860     6.943   67.262   49.286
LGA    V    50_F      V    50_A     1.792     0    0.055   0.071     2.662   72.857   68.299
LGA    T    51_F      T    51_A     1.764     0    0.030   0.051     2.866   77.143   70.748
LGA    E    52_F      E    52_A     0.683     0    0.065   1.052     4.214   88.214   72.646
LGA    V    53_F      V    53_A     1.675     0    0.065   0.109     2.746   75.000   68.435
LGA    L    54_F      L    54_A     1.709     0    0.043   1.157     4.572   77.143   61.667
LGA    N    55_F      N    55_A     0.729     0    0.065   0.259     0.993   90.476   92.857
LGA    N    56_F      N    56_A     1.274     0    0.064   0.106     1.694   79.286   80.357
LGA    M    57_F      M    57_A     1.570     0    0.055   0.735     2.518   79.286   72.083
LGA    A    58_F      A    58_A     0.646     0    0.039   0.037     0.936   90.476   90.476
LGA    K    59_F      K    59_A     1.124     0    0.105   0.201     2.174   83.690   79.630
LGA    G    60_F      G    60_A     1.059     0    0.231   0.231     1.397   85.952   85.952
LGA    F    61_F      F    61_A     1.365     0    0.216   0.437     3.890   79.405   64.892
LGA    R    62_F      R    62_A     2.972     0    0.162   1.372     6.739   57.262   38.442
LGA    D    63_F      D    63_A     1.865     0    0.036   0.288     4.510   70.833   56.548
LGA    A    64_F      A    64_A     2.138     0    0.691   0.632     3.148   61.071   60.286
LGA    Q    65_F      Q    65_A     3.575     0    0.174   1.588     6.137   57.738   40.370
LGA    N    66_F      N    66_A     1.785     0    0.527   1.299     5.058   77.381   57.560
LGA    P    67_F      P    67_A     1.102     0    0.180   0.207     2.182   83.690   80.340
LGA    P    68_F      P    68_A     1.645     0    0.560   0.561     4.765   71.548   56.871
LGA    S    69_F      S    69_A     4.120     0    0.626   0.843     8.094   50.476   36.667
LGA    S    70_F      S    70_A     1.572     0    0.083   0.758     2.898   66.905   68.968
LGA    F    71_F      F    71_A     3.491     0    0.119   1.437     5.762   44.405   43.333
LGA    T    72_F      T    72_A     7.581     0    0.039   1.159     9.584    9.048    6.463
LGA    L    73_F      L    73_A     9.002     0    0.168   0.359    13.331    1.548   12.857
LGA    G    74_F      G    74_A    15.574     0    0.112   0.112    18.089    0.000    0.000
LGA    G    75_F      G    75_A    20.400     0    0.521   0.521    23.523    0.000    0.000
LGA    H    76_F      H    76_A    26.839     0    0.232   1.151    29.563    0.000    0.000
LGA    C    77_F      C    77_A    28.158     0    0.191   0.746    28.487    0.000    0.000
LGA    Q    78_F      Q    78_A    24.488     0    0.466   1.006    26.384    0.000    0.000
LGA    A    79_F      A    79_A    22.485     0    0.552   0.582    23.215    0.000    0.000
LGA    P    80_F      P    80_A    15.952     0    0.686   1.060    20.316    0.000    0.000
LGA    L    81_F      L    81_A    11.008     0    0.602   1.313    12.894    0.000    2.619
LGA    N    82_F      N    82_A    14.671     0    0.609   1.214    19.941    0.000    0.000
LGA    A    83_F      A    83_A    14.080     0    0.521   0.528    15.399    0.000    0.000
LGA    F    84_F      F    84_A    13.481     0    0.579   1.450    13.985    0.000    0.000
LGA    S    85_F      S    85_A    11.087     0    0.669   0.575    11.765    0.000    0.000
LGA    F    86_F      F    86_A    11.984     0    0.218   1.360    14.942    0.000    0.866
LGA    V    87_F      V    87_A    18.670     0    0.219   0.252    22.707    0.000    0.000
LGA    L    88_F      L    88_A    22.207     0    0.050   0.900    25.084    0.000    0.000
LGA    P    89_F      P    89_A    27.775     0    0.159   0.741    29.671    0.000    0.000
LGA    G    90_F      G    90_A    33.273     0    0.090   0.090    35.221    0.000    0.000
LGA    V    91_F      V    91_A    31.501     0    0.627   0.622    31.702    0.000    0.000
LGA    N    92_F      N    92_A    31.499     0    0.187   0.965    32.305    0.000    0.000
LGA    D    93_F      D    93_A    28.620     0    0.615   1.297    33.603    0.000    0.000
LGA    R    94_F      R    94_A    26.312     0    0.608   1.275    27.839    0.000    0.000
LGA    A    95_F      A    95_A    25.764     0    0.681   0.649    28.496    0.000    0.000
LGA    T    96_F      T    96_A    25.922     0    0.678   0.641    27.655    0.000    0.000
LGA    V    97_F      V    97_A    26.185     0    0.332   1.005    27.571    0.000    0.000
LGA    A    98_F      A    98_A    27.573     0    0.176   0.185    29.574    0.000    0.000
LGA    T    99_F      T    99_A    28.150     0    0.598   1.390    30.628    0.000    0.000
LGA    A   100_F      A   100_A    27.106     0    0.162   0.152    28.552    0.000    0.000
LGA    D   101_F      D   101_A    28.575     0    0.053   0.743    31.266    0.000    0.000
LGA    E   102_F      E   102_A    25.613     0    0.044   1.403    29.603    0.000    0.000
LGA    A   103_F      A   103_A    22.782     0    0.065   0.079    24.004    0.000    0.000
LGA    K   104_F      K   104_A    24.832     0    0.102   1.211    33.073    0.000    0.000
LGA    K   105_F      K   105_A    24.103     0    0.156   0.240    28.819    0.000    0.000
LGA    W   106_F      W   106_A    20.074     0    0.188   1.130    23.331    0.000    0.000
LGA    E   107_F      E   107_A    21.143     0    0.057   1.033    27.717    0.000    0.000
LGA    N   108_F      N   108_A    23.694     0    0.175   0.261    29.363    0.000    0.000
LGA    C   109_F      C   109_A    18.586     0    0.587   0.586    20.136    0.000    0.000
LGA    D   110_F      D   110_A    20.825     0    0.107   1.136    25.358    0.000    0.000
LGA    A   111_F      A   111_A    18.276     0    0.476   0.528    19.264    0.000    0.000
LGA    T   112_F      T   112_A    16.949     0    0.604   0.563    17.790    0.000    0.000
LGA    L   113_F      L   113_A    17.894     0    0.610   1.467    20.235    0.000    0.000
LGA    T   114_F      T   114_A    24.256     0    0.616   0.605    27.250    0.000    0.000
LGA    G   115_F      G   115_A    24.991     0    0.537   0.537    25.286    0.000    0.000
LGA    L   116_F      L   116_A    23.581     0    0.633   1.462    24.800    0.000    0.000
LGA    Q   117_F      Q   117_A    23.721     0    0.643   1.127    26.862    0.000    0.000
LGA    R   118_F      R   118_A    28.141     0    0.720   1.695    35.353    0.000    0.000
LGA    I   119_F      I   119_A    25.758     0    0.659   0.573    26.781    0.000    0.000
LGA    I   120_F      I   120_A    25.696     0    0.250   0.311    26.812    0.000    0.000
LGA    H   121_F      H   121_A    30.474     0    0.681   1.394    32.944    0.000    0.000
LGA    H   122_F      H   122_A    29.777     0    0.081   0.936    29.902    0.000    0.000
LGA    H   123_F      H   123_A    31.890     0    0.227   0.986    37.947    0.000    0.000
LGA    H   124_F      H   124_A    29.412     0    0.466   0.591    30.835    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):    16.857         16.835                 17.336           14.864   13.169

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     24    2.11    19.153    16.851     1.085

LGA_LOCAL      RMSD:   2.111  Number of atoms:   24  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.815  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  16.857  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.845589 * X  +   0.312432 * Y  +  -0.432857 * Z  + -58.360485
  Y_new =  -0.423117 * X  +   0.886657 * Y  +  -0.186581 * Z  +  22.417185
  Z_new =   0.325501 * X  +   0.340920 * Y  +   0.881943 * Z  +  -3.163607 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.463952 -0.331542  0.368863   [DEG:  -26.5825  -18.9959   21.1343 ]
ZXZ: -1.163815  0.490829  0.762266   [DEG:  -66.6817   28.1224   43.6746 ]
 
# END of job
