
#######################################################
#                                                     #
#                        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:    36      33_A - 68_A        4.95    17.92
  LCS_AVERAGE:     21.92

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      49_A - 64_A        1.98    19.35
  LCS_AVERAGE:      7.97

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    11      50_A - 60_A        0.65    19.09
  LCS_AVERAGE:      4.25

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    7   20      3    4    4    5    6    9   10   12   16   16   17   18   19   21   23   25   26   28   38   41 
LCS_GDT     F     2_F     F     2_A      4    7   20      3    4    4    5    6    9   12   13   16   16   17   18   20   23   25   33   37   41   44   47 
LCS_GDT     T     3_F     T     3_A      4    7   20      3    4    4    5    7   11   12   13   16   16   17   19   20   23   31   33   37   41   44   47 
LCS_GDT     G     4_F     G     4_A      4    7   20      4    4    4    5    7   11   12   13   16   16   17   19   20   23   26   31   36   41   44   47 
LCS_GDT     W     5_F     W     5_A      4    7   20      4    4    4    5    7   11   12   13   16   16   17   19   20   21   26   31   36   41   44   48 
LCS_GDT     S     6_F     S     6_A      4    7   20      4    4    4    7   10   12   13   14   16   16   17   19   20   23   24   31   36   41   43   48 
LCS_GDT     P     7_F     P     7_A      4   12   20      4    4    5    8   11   12   13   14   16   16   17   19   20   23   24   27   32   37   43   48 
LCS_GDT     F     8_F     F     8_A      5   12   20      3    4    5    8   11   12   13   14   16   16   17   19   22   26   29   35   37   41   44   48 
LCS_GDT     K     9_F     K     9_A      5   12   20      3    4    5    8   11   12   13   14   16   16   17   19   20   23   24   27   28   30   37   42 
LCS_GDT     Y    10_F     Y    10_A      5   12   20      3    4    5    8   11   12   13   14   16   16   17   19   24   26   27   35   40   45   46   52 
LCS_GDT     S    11_F     S    11_A      5   12   20      2    3    5    8   11   12   13   14   16   16   17   19   20   23   24   27   28   30   31   33 
LCS_GDT     K    12_F     K    12_A      5   12   20      2    3    5    8   11   12   13   14   14   16   17   18   20   21   23   23   24   30   31   33 
LCS_GDT     G    13_F     G    13_A      3   12   22      3    3    4    4    6   12   13   14   14   16   17   19   27   29   35   37   39   42   44   47 
LCS_GDT     N    14_F     N    14_A      5   12   22      3    4    5    8   11   12   13   14   19   19   22   25   29   30   36   37   40   45   45   49 
LCS_GDT     T    15_F     T    15_A      5   12   22      3    4    5    8   12   13   13   16   20   20   24   27   31   34   36   37   40   45   48   52 
LCS_GDT     V    16_F     V    16_A      5   12   22      3    3    5    8   11   12   13   14   19   20   24   27   31   35   37   41   46   51   54   55 
LCS_GDT     T    17_F     T    17_A      5   12   22      3    5    7   10   11   12   13   14   16   20   23   26   29   33   36   39   42   46   48   52 
LCS_GDT     F    18_F     F    18_A      5   12   22      3    4    7   10   11   12   13   14   16   18   20   22   26   30   35   37   40   44   46   51 
LCS_GDT     K    19_F     K    19_A      5   12   22      3    5    8   10   11   12   13   14   15   18   19   20   22   24   30   34   36   41   44   48 
LCS_GDT     T    20_F     T    20_A      5   12   22      3    4    8   10   11   12   13   14   15   18   19   20   22   23   25   29   33   36   41   43 
LCS_GDT     P    21_F     P    21_A      5   12   22      3    5    8   10   11   12   13   14   15   16   19   20   22   23   25   28   33   36   41   43 
LCS_GDT     D    22_F     D    22_A      5   12   22      3    5    8   10   11   12   13   14   15   18   19   20   22   23   25   28   33   36   41   43 
LCS_GDT     E    23_F     E    23_A      5   12   22      3    5    8   10   11   12   13   14   15   18   19   20   22   23   25   29   33   38   43   45 
LCS_GDT     S    24_F     S    24_A      4   12   22      3    5    8   10   11   12   13   14   15   18   19   20   22   23   25   28   32   36   41   43 
LCS_GDT     S    25_F     S    25_A      4   12   22      3    5    8   10   11   12   13   14   15   18   19   20   22   23   24   27   31   34   37   37 
LCS_GDT     I    26_F     I    26_A      3   12   22      3    3    7   10   11   12   13   14   15   18   19   20   22   23   25   29   33   36   43   45 
LCS_GDT     A    27_F     A    27_A      3   12   22      3    3    5    9   10   11   13   14   14   16   18   20   22   23   25   28   33   36   41   43 
LCS_GDT     Y    28_F     Y    28_A      5   12   22      3    4    5    7    9   11   13   13   14   18   19   20   22   23   25   29   32   36   41   43 
LCS_GDT     M    29_F     M    29_A      5   10   22      3    4    5    6    9   11   12   13   14   18   19   20   22   23   25   32   37   41   44   47 
LCS_GDT     R    30_F     R    30_A      5   10   22      3    4    5    7    9   11   11   13   14   18   19   20   22   23   25   31   37   41   44   47 
LCS_GDT     F    31_F     F    31_A      5   10   34      1    4    5    7    9   11   11   13   16   18   20   25   29   35   41   43   46   49   54   55 
LCS_GDT     R    32_F     R    32_A      5   10   34      1    3    5    7    9   11   11   13   14   18   21   26   31   36   41   43   46   51   54   55 
LCS_GDT     N    33_F     N    33_A      4   10   36      1    3    6    8    9   11   14   22   25   28   31   33   35   39   43   45   49   52   54   55 
LCS_GDT     C    34_F     C    34_A      6   10   36      3    5    6    8   13   18   22   24   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     V    35_F     V    35_A      6    8   36      4    6   10   13   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     F    36_F     F    36_A      6    8   36      4    6   10   13   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     T    37_F     T    37_A      6    8   36      3    4    5    8   12   20   22   24   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     F    38_F     F    38_A      6    8   36      3    5    6   10   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     T    39_F     T    39_A      6    8   36      3    4    6    8    9   10   22   24   25   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     D    40_F     D    40_A      5   12   36      3    4    5   11   13   20   22   25   30   30   31   33   35   39   43   45   49   52   54   55 
LCS_GDT     P    41_F     P    41_A      4   12   36      4    4    7    9   14   17   19   25   30   30   31   33   35   37   41   45   49   52   54   55 
LCS_GDT     K    42_F     K    42_A      4   12   36      4    4    5    9   12   15   19   23   30   30   31   33   35   37   41   44   49   52   54   55 
LCS_GDT     G    43_F     G    43_A      5   12   36      4    4    7    9   14   17   20   25   30   30   31   33   35   39   41   44   49   52   54   55 
LCS_GDT     S    44_F     S    44_A      5   12   36      4    4    7    9   12   15   19   23   30   30   31   33   35   39   41   44   49   52   54   55 
LCS_GDT     L    45_F     L    45_A      5   12   36      3    4    5    9   12   15   21   25   30   30   31   33   35   39   41   45   49   52   54   55 
LCS_GDT     H    46_F     H    46_A      6   15   36      4    5    7   12   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     S    47_F     S    47_A      6   15   36      4    5    7   13   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     I    48_F     I    48_A      6   15   36      4    5    7   12   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     D    49_F     D    49_A      6   16   36      4    5    7   12   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     V    50_F     V    50_A     11   16   36      7    9   11   11   14   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     T    51_F     T    51_A     11   16   36      7   10   11   12   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     E    52_F     E    52_A     11   16   36      7   10   11   13   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     V    53_F     V    53_A     11   16   36      7   10   11   13   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     L    54_F     L    54_A     11   16   36      7   10   11   13   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     N    55_F     N    55_A     11   16   36      7   10   11   14   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     N    56_F     N    56_A     11   16   36      7   10   11   14   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     M    57_F     M    57_A     11   16   36      7   10   11   14   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     A    58_F     A    58_A     11   16   36      5   10   11   14   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     K    59_F     K    59_A     11   16   36      5   10   11   14   17   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     G    60_F     G    60_A     11   16   36      5   10   11   14   16   19   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     F    61_F     F    61_A      7   16   36      4    5    8   14   15   18   22   25   26   28   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     R    62_F     R    62_A      5   16   36      4    5    6   14   15   18   22   25   26   28   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     D    63_F     D    63_A      5   16   36      4    5    8   14   15   18   22   25   26   28   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     A    64_F     A    64_A      5   16   36      4    5    8   14   15   18   22   25   26   27   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     Q    65_F     Q    65_A      4   14   36      3    3    4    5   11   17   22   25   26   27   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     N    66_F     N    66_A      4    8   36      3    4    5    5    7   14   18   22   26   26   29   32   35   41   43   45   49   52   54   55 
LCS_GDT     P    67_F     P    67_A      4    5   36      3    4    4    5    7   16   22   25   26   27   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     P    68_F     P    68_A      4    7   36      3    4    5   10   15   16   22   25   26   27   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     S    69_F     S    69_A      4    7   32      3    4    6   14   15   18   22   25   26   27   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     S    70_F     S    70_A      4    7   32      1    4    6   10   15   18   22   25   26   27   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     F    71_F     F    71_A      4    7   32      3    5    8   14   15   18   22   25   26   27   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     T    72_F     T    72_A      4    7   32      3    4    8   14   15   18   22   25   26   27   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     L    73_F     L    73_A      4    7   32      3    4    8   14   15   18   22   25   26   27   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     G    74_F     G    74_A      4    7   32      3    4    6   11   15   18   22   25   26   27   29   30   35   38   40   43   46   48   53   54 
LCS_GDT     G    75_F     G    75_A      4    7   32      3    4    5    6    7   14   22   25   26   27   29   30   35   38   40   43   46   48   53   54 
LCS_GDT     H    76_F     H    76_A      3    5   32      3    3    3    4    5    8   11   17   20   24   27   28   29   30   34   36   40   43   47   51 
LCS_GDT     C    77_F     C    77_A      4    5   32      3    4    4    6    7    9   11   14   19   24   25   28   29   30   34   35   39   43   47   49 
LCS_GDT     Q    78_F     Q    78_A      4    4   32      3    4    4    4    6    7   11   13   16   18   19   21   26   28   31   35   39   41   45   48 
LCS_GDT     A    79_F     A    79_A      4    4   32      3    4    4    6    7    9   11   13   16   22   25   26   28   30   33   35   37   40   44   48 
LCS_GDT     P    80_F     P    80_A      4    4   32      3    4    4    6    7    9   11   13   16   18   19   20   25   27   29   35   37   39   43   45 
LCS_GDT     L    81_F     L    81_A      3    4   32      3    3    4    7    7    9   13   14   16   18   19   24   26   29   35   37   41   45   48   51 
LCS_GDT     N    82_F     N    82_A      3    5   19      3    3    4    7    7    9   10   14   16   18   20   21   22   24   31   34   39   41   44   47 
LCS_GDT     A    83_F     A    83_A      3    5   19      3    3    3    7    7    8   11   13   16   18   19   20   21   23   25   27   32   35   39   42 
LCS_GDT     F    84_F     F    84_A      3    7   19      3    3    4    5    7    7    9   13   16   18   19   20   21   24   27   37   39   41   47   52 
LCS_GDT     S    85_F     S    85_A      5    7   19      3    4    5    7    7    8   11   19   23   30   31   33   33   35   38   41   47   52   54   55 
LCS_GDT     F    86_F     F    86_A      5    7   19      3    3    5    7   10   12   13   16   17   22   24   31   33   39   40   42   45   52   54   55 
LCS_GDT     V    87_F     V    87_A      5    7   26      3    4    7   10   10   11   14   16   17   20   24   30   33   39   40   42   44   45   48   51 
LCS_GDT     L    88_F     L    88_A      5    7   27      3    4    5    6    7    9   12   15   17   21   21   24   25   28   30   34   43   45   47   49 
LCS_GDT     P    89_F     P    89_A      5    7   27      3    4    5    6    7    7   11   14   17   21   21   23   25   28   29   31   40   41   44   45 
LCS_GDT     G    90_F     G    90_A      4    7   27      3    3    5    6    7    7    8   10   11   15   21   23   24   26   29   31   32   33   37   40 
LCS_GDT     V    91_F     V    91_A      4    7   27      3    3    4    5    8    9   11   14   15   18   21   23   24   26   29   31   32   34   37   41 
LCS_GDT     N    92_F     N    92_A      4    6   27      3    4    4    5    8    9   11   14   15   17   20   22   24   24   25   31   32   34   37   41 
LCS_GDT     D    93_F     D    93_A      4    6   27      3    4    5    5    8    9   11   14   15   20   21   23   25   28   29   31   33   40   45   47 
LCS_GDT     R    94_F     R    94_A      4    6   27      3    4    5    5    8   10   11   14   17   21   21   24   25   28   40   42   44   45   48   51 
LCS_GDT     A    95_F     A    95_A      4    6   27      3    4    6    7    8   10   13   16   17   21   24   30   33   39   40   42   44   45   48   51 
LCS_GDT     T    96_F     T    96_A      3    6   27      3    3    3    4    8    9   11   14   16   21   23   29   33   39   40   42   44   45   48   51 
LCS_GDT     V    97_F     V    97_A      3   11   27      3    3    3    4    8   12   14   16   18   22   27   30   33   39   40   42   44   45   48   51 
LCS_GDT     A    98_F     A    98_A      3   11   27      1    3    3    3    9   12   13   16   17   21   24   30   33   39   40   42   44   45   48   51 
LCS_GDT     T    99_F     T    99_A      9   13   27      6    9    9   10   11   14   16   18   20   22   27   30   33   39   40   42   44   45   48   51 
LCS_GDT     A   100_F     A   100_A      9   13   27      6    9    9   10   11   14   16   18   20   22   27   30   33   39   40   42   44   45   48   51 
LCS_GDT     D   101_F     D   101_A      9   13   27      6    9    9   10   11   14   16   18   20   22   27   30   33   39   40   42   44   45   48   51 
LCS_GDT     E   102_F     E   102_A      9   13   27      6    9    9   10   11   14   16   18   20   22   27   30   33   39   40   42   44   45   48   51 
LCS_GDT     A   103_F     A   103_A      9   13   27      6    9    9   10   11   14   16   18   20   22   27   30   33   39   40   42   44   45   48   51 
LCS_GDT     K   104_F     K   104_A      9   13   27      6    9    9   10   11   14   16   18   20   22   27   30   33   39   40   42   44   45   48   51 
LCS_GDT     K   105_F     K   105_A      9   13   27      4    9    9   10   11   14   16   18   20   21   27   29   33   39   40   42   44   45   48   51 
LCS_GDT     W   106_F     W   106_A      9   13   27      4    9    9   10   11   14   16   18   20   22   27   30   33   39   40   42   44   45   48   51 
LCS_GDT     E   107_F     E   107_A      9   13   27      4    9    9   10   11   14   16   18   20   21   27   30   33   39   40   42   44   45   48   51 
LCS_GDT     N   108_F     N   108_A      4   13   27      3    4    4   10   11   14   16   18   20   22   27   30   33   39   40   42   44   45   48   51 
LCS_GDT     C   109_F     C   109_A      4   13   27      3    4    7   10   11   14   16   18   20   22   27   30   33   39   40   42   44   45   48   51 
LCS_GDT     D   110_F     D   110_A      4   13   27      3    3    4    5    8   13   13   15   17   21   24   29   33   39   40   42   44   45   48   51 
LCS_GDT     A   111_F     A   111_A      4   13   27      3    3    4    9   11   13   13   14   16   21   21   29   30   31   38   42   44   45   48   51 
LCS_GDT     T   112_F     T   112_A      3    3   27      1    3    3    9    9   12   12   15   16   21   25   30   33   39   40   42   44   48   53   54 
LCS_GDT     L   113_F     L   113_A      3    3   27      0    3    3    3    4    9   12   20   22   25   31   33   34   39   40   42   48   52   54   55 
LCS_GDT     T   114_F     T   114_A      3    3   27      0    3    5    5    6    8    9   12   14   15   19   27   32   34   37   40   43   48   53   55 
LCS_GDT     G   115_F     G   115_A      3    3   23      0    3    3    5    5    8   18   25   30   30   31   33   35   37   42   45   49   52   54   55 
LCS_GDT     L   116_F     L   116_A      3    3    9      0    3    3    5   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     Q   117_F     Q   117_A      3    3    9      0    4    4   13   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     R   118_F     R   118_A      3    3    9      0    6   10   13   18   20   22   25   30   30   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     I   119_F     I   119_A      4    5    9      0    4    8   11   15   17   21   25   26   27   31   33   37   41   43   45   49   52   54   55 
LCS_GDT     I   120_F     I   120_A      4    5    9      3    3    4    5    5    5    6   17   21   23   26   32   35   41   43   45   49   52   54   55 
LCS_GDT     H   121_F     H   121_A      4    5    9      3    3    4    5    5    5    6    8   13   23   26   31   36   41   43   45   49   52   54   55 
LCS_GDT     H   122_F     H   122_A      4    5    9      3    3    4    5    5    5    6    8   16   25   28   32   35   41   43   45   49   52   54   55 
LCS_GDT     H   123_F     H   123_A      3    5    9      3    3    4    5    5    5    6    7    8   11   16   21   28   31   34   36   41   45   49   50 
LCS_GDT     H   124_F     H   124_A      3    4    9      3    3    3    4    4    4    6    7    8    9   11   12   15   17   21   34   37   39   42   50 
LCS_AVERAGE  LCS_A:  11.38  (   4.25    7.97   21.92 )

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      7     10     11     14     18     20     22     25     30     30     31     33     37     41     43     45     49     52     54     55 
GDT PERCENT_AT   5.65   8.06   8.87  11.29  14.52  16.13  17.74  20.16  24.19  24.19  25.00  26.61  29.84  33.06  34.68  36.29  39.52  41.94  43.55  44.35
GDT RMS_LOCAL    0.28   0.53   0.65   1.39   1.93   2.04   2.22   2.59   3.13   3.13   3.25   3.51   4.36   4.67   4.87   5.10   5.56   5.85   6.10   6.22
GDT RMS_ALL_AT  18.88  19.06  19.09  21.02  18.07  18.06  18.02  20.73  17.97  17.97  17.99  18.02  18.37  18.41  18.24  18.14  17.91  17.87  17.84  17.83

# Checking swapping
#   possible swapping detected:  Y    10_F      Y    10_A
#   possible swapping detected:  F    18_F      F    18_A
#   possible swapping detected:  D    22_F      D    22_A
#   possible swapping detected:  Y    28_F      Y    28_A
#   possible swapping detected:  F    36_F      F    36_A
#   possible swapping detected:  F    38_F      F    38_A
#   possible swapping detected:  D    40_F      D    40_A
#   possible swapping detected:  D    49_F      D    49_A
#   possible swapping detected:  D    63_F      D    63_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:  D   101_F      D   101_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A    22.855     0    0.299   0.908    25.744    0.000    0.000
LGA    F     2_F      F     2_A    26.095     0    0.681   0.466    29.798    0.000    0.000
LGA    T     3_F      T     3_A    28.843     0    0.663   0.986    30.829    0.000    0.000
LGA    G     4_F      G     4_A    32.555     0    0.626   0.626    32.555    0.000    0.000
LGA    W     5_F      W     5_A    29.855     0    0.077   0.082    30.750    0.000    0.000
LGA    S     6_F      S     6_A    30.458     0    0.358   0.648    31.088    0.000    0.000
LGA    P     7_F      P     7_A    29.966     0    0.069   0.695    34.284    0.000    0.000
LGA    F     8_F      F     8_A    24.873     0    0.207   1.469    26.983    0.000    0.000
LGA    K     9_F      K     9_A    27.086     0    0.125   0.476    37.945    0.000    0.000
LGA    Y    10_F      Y    10_A    23.997     0    0.670   1.006    27.280    0.000    0.000
LGA    S    11_F      S    11_A    28.406     0    0.479   0.716    30.070    0.000    0.000
LGA    K    12_F      K    12_A    29.838     0    0.605   0.735    37.403    0.000    0.000
LGA    G    13_F      G    13_A    24.887     0    0.722   0.722    26.314    0.000    0.000
LGA    N    14_F      N    14_A    23.581     0    0.131   0.155    27.699    0.000    0.000
LGA    T    15_F      T    15_A    18.809     0    0.256   1.195    21.052    0.000    0.000
LGA    V    16_F      V    16_A    14.668     0    0.076   1.086    16.809    0.000    0.000
LGA    T    17_F      T    17_A    14.236     0    0.494   0.446    16.713    0.000    0.000
LGA    F    18_F      F    18_A    14.255     0    0.447   1.090    15.309    0.000    0.000
LGA    K    19_F      K    19_A    19.204     0    0.078   0.800    22.952    0.000    0.000
LGA    T    20_F      T    20_A    25.505     0    0.072   0.123    26.901    0.000    0.000
LGA    P    21_F      P    21_A    30.717     0    0.412   0.630    33.247    0.000    0.000
LGA    D    22_F      D    22_A    31.754     0    0.290   1.229    34.255    0.000    0.000
LGA    E    23_F      E    23_A    25.628     0    0.117   0.426    27.741    0.000    0.000
LGA    S    24_F      S    24_A    27.247     0    0.524   0.510    29.925    0.000    0.000
LGA    S    25_F      S    25_A    24.107     0    0.221   0.631    25.959    0.000    0.000
LGA    I    26_F      I    26_A    19.045     0    0.152   1.100    20.597    0.000    0.000
LGA    A    27_F      A    27_A    18.398     0    0.692   0.620    21.432    0.000    0.000
LGA    Y    28_F      Y    28_A    21.187     0    0.707   1.179    31.550    0.000    0.000
LGA    M    29_F      M    29_A    16.489     0    0.039   1.064    19.098    0.000    0.000
LGA    R    30_F      R    30_A    17.367     0    0.145   1.242    24.335    0.000    0.000
LGA    F    31_F      F    31_A    13.700     0    0.268   1.252    16.899    0.000    0.519
LGA    R    32_F      R    32_A    15.105     0    0.166   1.108    23.242    0.000    0.000
LGA    N    33_F      N    33_A    12.478     0    0.509   0.457    15.813    0.000    0.000
LGA    C    34_F      C    34_A     8.612     0    0.089   0.844     9.494    2.500    4.524
LGA    V    35_F      V    35_A     9.351     0    0.105   1.045    10.462    1.548    1.088
LGA    F    36_F      F    36_A    10.385     0    0.139   1.143    12.566    0.119    0.043
LGA    T    37_F      T    37_A    12.894     0    0.054   0.110    14.807    0.000    0.000
LGA    F    38_F      F    38_A    14.416     0    0.264   0.360    17.652    0.000    0.000
LGA    T    39_F      T    39_A    14.851     0    0.628   1.398    15.671    0.000    0.000
LGA    D    40_F      D    40_A    18.513     0    0.118   1.189    21.195    0.000    0.000
LGA    P    41_F      P    41_A    21.334     0    0.056   0.356    22.628    0.000    0.000
LGA    K    42_F      K    42_A    21.633     0    0.204   1.146    22.308    0.000    0.000
LGA    G    43_F      G    43_A    21.503     0    0.052   0.052    21.503    0.000    0.000
LGA    S    44_F      S    44_A    20.375     0    0.137   0.718    20.949    0.000    0.000
LGA    L    45_F      L    45_A    17.843     0    0.069   0.881    21.847    0.000    0.000
LGA    H    46_F      H    46_A    13.641     0    0.125   1.385    14.901    0.000    0.000
LGA    S    47_F      S    47_A    10.358     0    0.100   0.564    11.357    0.000    0.079
LGA    I    48_F      I    48_A     9.026     0    0.075   1.078    11.985    5.595    3.214
LGA    D    49_F      D    49_A     6.067     0    0.114   0.290     7.159   13.571   20.714
LGA    V    50_F      V    50_A     5.813     0    0.330   1.207     8.997   30.476   23.333
LGA    T    51_F      T    51_A     2.614     0    0.024   0.048     3.758   61.667   64.286
LGA    E    52_F      E    52_A     2.841     0    0.074   1.100     8.424   59.048   34.603
LGA    V    53_F      V    53_A     3.278     0    0.036   1.111     6.727   55.476   47.075
LGA    L    54_F      L    54_A     2.513     0    0.073   0.095     4.351   65.000   53.452
LGA    N    55_F      N    55_A     1.053     0    0.075   0.137     1.578   79.286   80.357
LGA    N    56_F      N    56_A     1.033     0    0.074   0.164     3.136   88.214   74.702
LGA    M    57_F      M    57_A     1.632     0    0.047   0.709     4.844   72.976   57.083
LGA    A    58_F      A    58_A     2.255     0    0.061   0.060     2.779   64.881   63.333
LGA    K    59_F      K    59_A     2.257     0    0.099   0.206     4.689   68.810   55.608
LGA    G    60_F      G    60_A     1.467     0    0.174   0.174     1.726   81.548   81.548
LGA    F    61_F      F    61_A     0.883     0    0.220   1.213     5.269   88.214   68.009
LGA    R    62_F      R    62_A     1.604     0    0.185   1.530     4.322   72.976   62.684
LGA    D    63_F      D    63_A     1.387     0    0.174   0.275     2.766   81.429   73.155
LGA    A    64_F      A    64_A     1.137     0    0.670   0.616     2.658   73.214   71.524
LGA    Q    65_F      Q    65_A     4.130     0    0.631   1.005     7.169   37.500   31.005
LGA    N    66_F      N    66_A     6.605     0    0.560   1.058    10.273   14.762    8.631
LGA    P    67_F      P    67_A     4.380     0    0.107   0.746     4.432   45.238   44.490
LGA    P    68_F      P    68_A     4.294     0    0.116   0.498     7.749   49.643   33.197
LGA    S    69_F      S    69_A     2.447     0    0.682   0.883     6.673   64.881   49.841
LGA    S    70_F      S    70_A     3.110     0    0.596   0.698     4.848   59.405   50.079
LGA    F    71_F      F    71_A     1.208     0    0.535   1.364     6.524   79.286   55.931
LGA    T    72_F      T    72_A     2.054     0    0.129   0.120     2.833   68.929   66.054
LGA    L    73_F      L    73_A     2.325     0    0.300   0.899     4.959   64.881   53.512
LGA    G    74_F      G    74_A     2.922     0    0.458   0.458     2.922   64.881   64.881
LGA    G    75_F      G    75_A     3.557     0    0.689   0.689     5.359   37.738   37.738
LGA    H    76_F      H    76_A     8.247     0    0.659   0.632    11.826    5.833    2.429
LGA    C    77_F      C    77_A    10.765     0    0.049   0.707    14.442    0.714    1.349
LGA    Q    78_F      Q    78_A    13.571     0    0.383   1.011    16.200    0.000    0.000
LGA    A    79_F      A    79_A    12.134     0    0.583   0.570    12.562    0.000    0.000
LGA    P    80_F      P    80_A    13.699     0    0.694   0.979    18.160    0.000    0.000
LGA    L    81_F      L    81_A    11.066     0    0.177   0.532    15.052    0.000    0.000
LGA    N    82_F      N    82_A    15.028     0    0.607   0.909    15.447    0.000    0.000
LGA    A    83_F      A    83_A    17.252     0    0.706   0.677    19.616    0.000    0.000
LGA    F    84_F      F    84_A    14.257     0    0.286   1.180    23.488    0.000    0.000
LGA    S    85_F      S    85_A    12.682     0    0.313   0.305    13.441    0.000    0.000
LGA    F    86_F      F    86_A    15.407     0    0.078   1.305    18.517    0.000    0.000
LGA    V    87_F      V    87_A    21.315     0    0.078   0.133    24.230    0.000    0.000
LGA    L    88_F      L    88_A    27.471     0    0.182   1.318    30.913    0.000    0.000
LGA    P    89_F      P    89_A    31.146     0    0.441   0.556    35.025    0.000    0.000
LGA    G    90_F      G    90_A    35.627     0    0.289   0.289    39.124    0.000    0.000
LGA    V    91_F      V    91_A    37.103     0    0.310   0.320    38.485    0.000    0.000
LGA    N    92_F      N    92_A    37.559     0    0.077   1.305    37.559    0.000    0.000
LGA    D    93_F      D    93_A    36.707     0    0.639   1.054    40.338    0.000    0.000
LGA    R    94_F      R    94_A    36.938     0    0.188   1.141    37.020    0.000    0.000
LGA    A    95_F      A    95_A    36.987     0    0.316   0.314    37.270    0.000    0.000
LGA    T    96_F      T    96_A    38.472     0    0.568   0.520    41.457    0.000    0.000
LGA    V    97_F      V    97_A    32.735     0    0.561   1.307    34.248    0.000    0.000
LGA    A    98_F      A    98_A    35.715     0    0.387   0.362    37.482    0.000    0.000
LGA    T    99_F      T    99_A    35.444     0    0.598   1.367    37.601    0.000    0.000
LGA    A   100_F      A   100_A    36.643     0    0.067   0.065    37.622    0.000    0.000
LGA    D   101_F      D   101_A    38.024     0    0.030   1.442    39.144    0.000    0.000
LGA    E   102_F      E   102_A    34.722     0    0.052   0.707    35.952    0.000    0.000
LGA    A   103_F      A   103_A    32.814     0    0.056   0.063    33.606    0.000    0.000
LGA    K   104_F      K   104_A    34.984     0    0.060   1.203    39.036    0.000    0.000
LGA    K   105_F      K   105_A    33.333     0    0.116   0.262    38.273    0.000    0.000
LGA    W   106_F      W   106_A    28.902     0    0.292   0.895    30.384    0.000    0.000
LGA    E   107_F      E   107_A    30.116     0    0.067   0.688    37.592    0.000    0.000
LGA    N   108_F      N   108_A    28.858     0    0.265   0.276    32.076    0.000    0.000
LGA    C   109_F      C   109_A    25.160     0    0.595   0.573    26.503    0.000    0.000
LGA    D   110_F      D   110_A    24.741     0    0.186   0.364    25.299    0.000    0.000
LGA    A   111_F      A   111_A    22.194     0    0.573   0.574    23.136    0.000    0.000
LGA    T   112_F      T   112_A    15.503     0    0.637   1.428    17.838    0.000    0.000
LGA    L   113_F      L   113_A    14.723     0    0.619   0.575    14.912    0.000    0.000
LGA    T   114_F      T   114_A    15.448     0    0.592   1.396    19.082    0.000    0.000
LGA    G   115_F      G   115_A    10.152     0    0.540   0.540    11.714    1.905    1.905
LGA    L   116_F      L   116_A     7.971     0    0.586   0.604    13.605    8.333    4.167
LGA    Q   117_F      Q   117_A     7.169     0    0.592   0.864     9.079   10.357    7.037
LGA    R   118_F      R   118_A     3.148     0    0.612   1.371    10.155   56.190   30.346
LGA    I   119_F      I   119_A     5.086     0    0.612   0.583     9.495   25.119   16.012
LGA    I   120_F      I   120_A     7.118     0    0.625   0.501     8.959   12.143    8.869
LGA    H   121_F      H   121_A     7.170     0    0.369   0.452    13.607   11.667    5.000
LGA    H   122_F      H   122_A     6.568     0    0.159   1.185     9.993    7.976   11.905
LGA    H   123_F      H   123_A    10.848     0    0.188   1.473    15.159    1.071    0.429
LGA    H   124_F      H   124_A    14.825     0    0.675   1.268    17.301    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):    17.522         17.523                 17.643           14.476   12.304

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     25    2.59    18.952    16.511     0.928

LGA_LOCAL      RMSD:   2.594  Number of atoms:   25  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  20.734  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  17.522  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.452053 * X  +  -0.880021 * Y  +  -0.145637 * Z  + -65.867020
  Y_new =   0.683878 * X  +   0.446757 * Y  +  -0.576819 * Z  + -20.249529
  Z_new =   0.572677 * X  +   0.161155 * Y  +   0.803785 * Z  + -60.611900 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.986717 -0.609768  0.197872   [DEG:   56.5347  -34.9371   11.3372 ]
ZXZ: -0.247314  0.637166  1.296484   [DEG:  -14.1701   36.5069   74.2830 ]
 
# END of job
