
#######################################################
#                                                     #
#                        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  132 ( 1136),  selected  124 , name one
# Molecule2: number of CA atoms  124 ( 1059),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:D  -ch2:D  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    47       3_D - 49_D        4.94    24.47
  LONGEST_CONTINUOUS_SEGMENT:    47       4_D - 50_D        4.91    24.30
  LCS_AVERAGE:     28.31

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      97_D - 125_D       1.65    18.73
  LCS_AVERAGE:     16.45

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      98_D - 124_D       0.87    19.35
  LCS_AVERAGE:     13.96

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     D     2_D     D     2_D     24   26   44      8   23   23   23   24   24   24   25   25   26   26   26   36   46   48   48   48   51   54   55 
LCS_GDT     K     3_D     K     3_D     24   26   47     17   23   23   23   24   24   24   25   25   26   26   26   34   46   48   49   50   51   54   55 
LCS_GDT     E     4_D     E     4_D     24   26   47     17   23   23   23   24   24   24   25   25   26   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     I     5_D     I     5_D     24   26   47     17   23   23   23   24   24   24   25   25   33   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     A     6_D     A     6_D     24   26   47     17   23   23   23   24   24   24   25   25   26   27   39   44   46   48   49   50   51   54   55 
LCS_GDT     K     7_D     K     7_D     24   26   47     17   23   23   23   24   24   24   25   25   26   30   43   45   46   48   49   50   51   54   55 
LCS_GDT     E     8_D     E     8_D     24   26   47     17   23   23   23   24   24   24   25   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     I     9_D     I     9_D     24   26   47     17   23   23   23   24   24   24   25   25   33   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     F    10_D     F    10_D     24   26   47     17   23   23   23   24   24   24   25   25   28   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     N    11_D     N    11_D     24   26   47     17   23   23   23   24   24   24   25   27   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     M    12_D     M    12_D     24   26   47     17   23   23   23   24   24   24   25   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     M    13_D     M    13_D     24   26   47     17   23   23   23   24   24   24   25   25   32   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     F    14_D     F    14_D     24   26   47     17   23   23   23   24   24   24   25   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     M    15_D     M    15_D     24   26   47     17   23   23   23   24   24   24   25   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     L    16_D     L    16_D     24   26   47     16   23   23   23   24   24   24   25   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     L    17_D     L    17_D     24   26   47     16   23   23   23   24   24   24   25   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     W    18_D     W    18_D     24   26   47     16   23   23   23   24   24   24   25   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     R    19_D     R    19_D     24   26   47     17   23   23   23   24   24   24   25   27   32   37   43   45   46   48   49   50   51   54   55 
LCS_GDT     V    20_D     V    20_D     24   26   47     17   23   23   23   24   24   24   25   25   29   34   39   45   46   48   49   50   51   54   55 
LCS_GDT     F    21_D     F    21_D     24   26   47     17   23   23   23   24   24   24   25   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     R    22_D     R    22_D     24   26   47     17   23   23   23   24   24   24   25   27   33   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     S    23_D     S    23_D     24   26   47      5   23   23   23   24   24   24   25   25   26   32   43   45   46   48   49   50   51   54   55 
LCS_GDT     Q    24_D     Q    24_D     24   26   47     14   23   23   23   24   24   24   25   25   26   26   33   45   46   48   49   50   51   54   55 
LCS_GDT     R    25_D     R    25_D     24   26   47      3    8   19   23   24   24   24   25   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     I    26_D     I    26_D      6   26   47      3    4    6   10   16   24   24   25   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     D    27_D     D    27_D     19   26   47      3    5   13   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     A    28_D     A    28_D     22   24   47      3   10   18   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     N    29_D     N    29_D     22   24   47      7   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     N    30_D     N    30_D     22   24   47      3   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     V    31_D     V    31_D     22   24   47      9   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     E    32_D     E    32_D     22   24   47      9   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     L    33_D     L    33_D     22   24   47      9   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     I    34_D     I    34_D     22   24   47      9   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     K    35_D     K    35_D     22   24   47      8   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     F    36_D     F    36_D     22   24   47      9   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     N    37_D     N    37_D     22   24   47      9   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     I    38_D     I    38_D     22   24   47      8   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     R    39_D     R    39_D     22   24   47      9   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     V    40_D     V    40_D     22   24   47     10   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     L    41_D     L    41_D     22   24   47     10   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     D    42_D     D    42_D     22   24   47     10   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     W    43_D     W    43_D     22   24   47     10   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     I    44_D     I    44_D     22   24   47     10   18   21   22   23   24   24   24   26   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     M    45_D     M    45_D     22   24   47     10   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     A    46_D     A    46_D     22   24   47     10   18   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     E    47_D     E    47_D     22   24   47     10   18   21   22   23   24   24   24   26   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     A    48_D     A    48_D     22   24   47     10   16   21   22   23   24   24   24   26   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     D    49_D     D    49_D     22   24   47     10   14   21   22   23   24   24   24   28   34   38   43   45   46   48   49   50   51   54   55 
LCS_GDT     N    50_D     N    50_D      3   24   47      3    3    4    4    5    5    8   13   22   28   36   42   44   46   46   49   50   51   54   55 
LCS_GDT     D    51_D     D    51_D      3    8   44      3    3    4    4    7   10   11   13   14   18   19   24   31   38   45   49   50   51   54   55 
LCS_GDT     L    52_D     L    52_D      4    8   35      4    4    5    6    7   10   11   13   14   16   19   20   22   25   34   47   50   51   52   55 
LCS_GDT     C    53_D     C    53_D      4    8   22      4    4    5    6    7   10   11   13   14   15   18   20   21   24   25   29   37   48   51   52 
LCS_GDT     Y    54_D     Y    54_D      4    8   22      4    4    5    6   11   16   21   22   26   30   33   33   33   33   34   35   36   37   39   41 
LCS_GDT     F    55_D     F    55_D      4    8   22      4    4    5    7    8   10   11   13   14   15   18   20   21   24   27   34   36   37   38   41 
LCS_GDT     I    56_D     I    56_D      3    8   22      3    3    3    6    7   10   11   13   14   15   17   19   20   21   22   26   30   33   35   39 
LCS_GDT     G    57_D     G    57_D      3    8   22      3    4    6    7    8    9   11   12   14   15   18   20   21   24   25   27   30   33   36   39 
LCS_GDT     T    58_D     T    58_D      3    8   22      3    3    5    6    7   10   11   12   14   15   18   20   21   24   25   27   30   33   36   39 
LCS_GDT     H    59_D     H    59_D      5    8   23      4    4    6    7    8    9   11   13   14   15   18   20   21   24   25   27   30   33   36   39 
LCS_GDT     D    60_D     D    60_D      5    8   23      4    4    6    7    8    9   11   13   13   17   18   20   21   24   25   27   30   33   36   39 
LCS_GDT     K    61_D     K    61_D      5    8   23      4    4    6    7    8    9   11   12   16   17   19   21   22   24   25   27   30   33   36   39 
LCS_GDT     C    62_D     C    62_D      5   16   23      4    4    5    7    8    9   11   15   16   19   19   21   22   33   34   35   36   37   38   41 
LCS_GDT     E    63_D     E    63_D      8   16   23      3   11   17   24   25   28   30   31   31   32   33   33   33   33   35   35   36   37   39   41 
LCS_GDT     N    64_D     N    64_D     11   16   23      3    4    6   28   30   30   30   31   31   32   33   33   35   35   36   36   37   37   39   41 
LCS_GDT     P    65_D     P    65_D     13   16   23     11   12   14   28   30   30   30   31   31   32   33   34   35   35   36   36   37   37   39   41 
LCS_GDT     K    66_D     K    66_D     13   16   23     11   12   23   27   28   29   29   31   31   32   33   34   35   35   36   36   37   37   40   41 
LCS_GDT     E    67_D     E    67_D     13   16   23     11   12   14   14   18   25   28   31   31   32   32   34   35   36   38   38   39   41   44   45 
LCS_GDT     Q    68_D     Q    68_D     13   16   23     11   12   14   14   15   16   19   23   26   30   32   34   35   36   38   38   39   41   43   45 
LCS_GDT     W    69_D     W    69_D     13   16   23     11   12   14   17   23   27   29   31   31   32   33   34   35   36   38   38   39   41   44   45 
LCS_GDT     V    70_D     V    70_D     13   16   23     11   12   14   14   15   16   17   18   21   23   30   32   33   36   38   38   39   41   44   45 
LCS_GDT     A    71_D     A    71_D     13   16   23     11   12   14   14   15   16   17   18   18   22   28   31   33   36   38   38   39   41   44   45 
LCS_GDT     N    72_D     N    72_D     13   16   23     11   12   14   14   15   16   17   18   18   19   22   27   31   36   38   38   39   41   44   45 
LCS_GDT     Y    73_D     Y    73_D     13   16   23     11   12   14   14   15   16   17   18   20   23   28   31   33   36   38   38   39   41   44   45 
LCS_GDT     Q    74_D     Q    74_D     13   16   23     11   12   14   14   15   16   17   18   18   19   20   26   28   32   35   36   39   41   44   45 
LCS_GDT     N    75_D     N    75_D     13   16   23     11   12   14   14   15   16   17   18   18   19   20   21   23   24   25   29   30   33   36   39 
LCS_GDT     L    76_D     L    76_D     13   16   23      8   12   14   14   15   16   17   18   18   19   20   21   23   24   25   29   30   33   36   39 
LCS_GDT     N    77_D     N    77_D     13   16   23      4   10   14   14   15   16   17   18   18   19   20   21   23   24   25   29   30   35   40   43 
LCS_GDT     N    78_D     N    78_D      3   16   23      3    4    5    6   11   14   16   18   18   19   20   21   23   24   26   31   34   36   40   43 
LCS_GDT     V    79_D     V    79_D      4    5   23      4    4    5    6    6    7    9   12   16   17   19   21   23   24   25   29   30   33   36   39 
LCS_GDT     V    80_D     V    80_D      4    5   23      4    4    5    6    6    7    8   11   16   17   19   21   23   24   26   29   30   33   36   43 
LCS_GDT     F    81_D     F    81_D      4    5   23      4    4    5    6    6    7    8   10   12   16   19   21   23   24   26   29   33   35   39   43 
LCS_GDT     T    82_D     T    82_D      4    5   23      4    4    5    6    6    7    8   10   12   16   17   21   23   24   26   29   30   33   39   43 
LCS_GDT     N    83_D     N    83_D      4    5   18      3    4    4    4    4    5    6    9   10   13   15   17   20   23   26   28   30   31   39   43 
LCS_GDT     K    84_D     K    84_D      4    5   17      3    4    4    4    4    5    6    9   10   13   15   17   20   27   31   32   34   35   40   43 
LCS_GDT     E    85_D     E    85_D      3    4   17      3    3    3    3    4    5    6    9   10   13   20   22   25   27   31   32   34   36   40   43 
LCS_GDT     L    86_D     L    86_D      4    6   17      3    3    4    4    6    8   11   13   16   20   22   24   28   30   33   36   39   41   42   43 
LCS_GDT     E    87_D     E    87_D      4    6   22      3    3    4    4    7   10   12   14   16   20   22   24   28   31   35   36   39   41   44   45 
LCS_GDT     D    88_D     D    88_D      4    6   22      3    3    5    6    7   10   12   14   16   20   22   24   28   32   35   36   39   41   44   45 
LCS_GDT     I    89_D     I    89_D      4    6   22      3    3    4    5    7   10   12   14   16   19   22   26   28   33   36   37   39   41   44   45 
LCS_GDT     Y    90_D     Y    90_D      3    6   22      3    3    3    5    6    7    9   10   13   16   18   19   22   25   33   35   39   41   44   45 
LCS_GDT     D    91_D     D    91_D      6    6   22      4    4    6    6    6   10   12   13   14   16   18   21   24   28   33   35   39   41   44   45 
LCS_GDT     L    92_D     L    92_D      6    6   22      4    5    6    6    6    6    6   10   11   13   15   17   20   21   24   27   33   36   40   43 
LCS_GDT     S    93_D     S    93_D      6    6   33      4    5    6    6    6    6    6   10   11   13   15   17   20   21   23   24   25   28   30   31 
LCS_GDT     N    94_D     N    94_D      6    6   33      4    5    6    6    6    6    9   10   12   13   16   18   22   23   29   36   39   41   44   45 
LCS_GDT     K    95_D     K    95_D      6    6   33      3    5    6    6    7   10   13   18   21   26   30   32   34   36   38   38   39   41   44   45 
LCS_GDT     E    96_D     E    96_D      6    6   33      3    5    6    6    7   10   13   19   25   28   31   33   34   36   38   38   39   41   44   45 
LCS_GDT     E    97_D     E    97_D      3   29   33      3    3    4    6   12   16   21   30   31   32   33   34   35   36   38   38   39   41   44   45 
LCS_GDT     T    98_D     T    98_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   45 
LCS_GDT     K    99_D     K    99_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   45 
LCS_GDT     E   100_D     E   100_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   45 
LCS_GDT     V   101_D     V   101_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   45 
LCS_GDT     L   102_D     L   102_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   45 
LCS_GDT     K   103_D     K   103_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   46 
LCS_GDT     K   104_D     K   104_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   40   44   46   53 
LCS_GDT     F   105_D     F   105_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   46 
LCS_GDT     K   106_D     K   106_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   46 
LCS_GDT     E   107_D     E   107_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   46   51   54   55 
LCS_GDT     K   108_D     K   108_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   44   46   51   54   55 
LCS_GDT     V   109_D     V   109_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   48   53 
LCS_GDT     N   110_D     N   110_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   50 
LCS_GDT     Q   111_D     Q   111_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   44   48   51   54   55 
LCS_GDT     F   112_D     F   112_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   44   48   51   54   55 
LCS_GDT     Y   113_D     Y   113_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   52 
LCS_GDT     R   114_D     R   114_D     27   29   33     15   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   47   51   53 
LCS_GDT     H   115_D     H   115_D     27   29   33     14   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   44   47   51   53 
LCS_GDT     A   116_D     A   116_D     27   29   33     14   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   47   51   53 
LCS_GDT     F   117_D     F   117_D     27   29   33     14   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   45 
LCS_GDT     D   118_D     D   118_D     27   29   33     14   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   45 
LCS_GDT     I   119_D     I   119_D     27   29   33     12   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   45 
LCS_GDT     I   120_D     I   120_D     27   29   33      5   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   45 
LCS_GDT     N   121_D     N   121_D     27   29   33      5   24   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   45 
LCS_GDT     K   122_D     K   122_D     27   29   33      6   23   25   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   45 
LCS_GDT     Y   123_D     Y   123_D     27   29   33      4   16   24   27   30   30   30   31   31   32   33   34   35   35   38   38   39   41   44   45 
LCS_GDT     G   124_D     G   124_D     27   29   33      3    4   21   28   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   45 
LCS_GDT     L   125_D     L   125_D      5   29   33      3   16   23   26   30   30   30   31   31   32   33   34   35   36   38   38   39   41   44   45 
LCS_AVERAGE  LCS_A:  19.57  (  13.96   16.45   28.31 )

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     17     24     25     28     30     30     30     31     31     34     38     43     45     46     48     49     50     51     54     55 
GDT PERCENT_AT  13.71  19.35  20.16  22.58  24.19  24.19  24.19  25.00  25.00  27.42  30.65  34.68  36.29  37.10  38.71  39.52  40.32  41.13  43.55  44.35
GDT RMS_LOCAL    0.33   0.62   0.66   1.05   1.18   1.18   1.18   1.63   1.60   3.74   4.11   4.57   4.72   4.80   5.05   5.29   5.53   5.62   6.21   6.38
GDT RMS_ALL_AT  27.24  19.56  19.58  18.80  18.79  18.79  18.79  18.60  18.95  24.69  24.71  24.56  24.45  24.48  24.48  24.09  23.93  23.96  23.83  23.68

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  E     8_D      E     8_D
#   possible swapping detected:  F    14_D      F    14_D
#   possible swapping detected:  D    49_D      D    49_D
#   possible swapping detected:  F    55_D      F    55_D
#   possible swapping detected:  D    60_D      D    60_D
#   possible swapping detected:  E    63_D      E    63_D
#   possible swapping detected:  F    81_D      F    81_D
#   possible swapping detected:  E    85_D      E    85_D
#   possible swapping detected:  D    88_D      D    88_D
#   possible swapping detected:  Y    90_D      Y    90_D
#   possible swapping detected:  D    91_D      D    91_D
#   possible swapping detected:  F   112_D      F   112_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D    27.983     0    0.612   1.019    29.275    0.000    0.000
LGA    K     3_D      K     3_D    23.580     0    0.032   0.779    25.348    0.000    0.000
LGA    E     4_D      E     4_D    21.304     0    0.028   0.194    22.436    0.000    0.000
LGA    I     5_D      I     5_D    23.177     0    0.066   1.410    27.946    0.000    0.000
LGA    A     6_D      A     6_D    22.232     0    0.022   0.030    23.205    0.000    0.000
LGA    K     7_D      K     7_D    18.090     0    0.012   0.604    19.603    0.000    0.000
LGA    E     8_D      E     8_D    17.833     0    0.083   0.936    23.703    0.000    0.000
LGA    I     9_D      I     9_D    19.032     0    0.058   0.126    23.641    0.000    0.000
LGA    F    10_D      F    10_D    17.405     0    0.032   1.452    18.060    0.000    0.000
LGA    N    11_D      N    11_D    14.682     0    0.061   0.883    15.482    0.000    0.000
LGA    M    12_D      M    12_D    15.028     0    0.022   0.802    15.962    0.000    0.000
LGA    M    13_D      M    13_D    16.348     0    0.036   0.135    21.575    0.000    0.000
LGA    F    14_D      F    14_D    15.115     0    0.033   0.122    18.553    0.000    0.000
LGA    M    15_D      M    15_D    13.834     0    0.019   1.147    14.164    0.000    0.000
LGA    L    16_D      L    16_D    14.126     0    0.060   1.421    16.143    0.000    0.000
LGA    L    17_D      L    17_D    16.410     0    0.022   0.627    20.128    0.000    0.000
LGA    W    18_D      W    18_D    16.125     0    0.017   0.111    21.318    0.000    0.000
LGA    R    19_D      R    19_D    14.406     0    0.005   1.276    18.598    0.000    0.000
LGA    V    20_D      V    20_D    15.970     0    0.067   1.353    17.970    0.000    0.000
LGA    F    21_D      F    21_D    19.514     0    0.049   0.299    22.767    0.000    0.000
LGA    R    22_D      R    22_D    19.927     0    0.105   0.139    20.973    0.000    0.000
LGA    S    23_D      S    23_D    19.392     0    0.045   0.083    19.939    0.000    0.000
LGA    Q    24_D      Q    24_D    21.530     0    0.271   1.359    23.597    0.000    0.000
LGA    R    25_D      R    25_D    26.245     0    0.014   1.021    34.574    0.000    0.000
LGA    I    26_D      I    26_D    28.350     0    0.166   0.702    31.569    0.000    0.000
LGA    D    27_D      D    27_D    32.937     0    0.078   1.256    36.062    0.000    0.000
LGA    A    28_D      A    28_D    35.736     0    0.703   0.637    38.202    0.000    0.000
LGA    N    29_D      N    29_D    33.264     0    0.109   0.850    34.040    0.000    0.000
LGA    N    30_D      N    30_D    28.861     0    0.100   1.168    30.695    0.000    0.000
LGA    V    31_D      V    31_D    30.173     0    0.073   1.337    34.140    0.000    0.000
LGA    E    32_D      E    32_D    29.094     0    0.009   0.804    30.275    0.000    0.000
LGA    L    33_D      L    33_D    25.189     0    0.020   0.075    26.745    0.000    0.000
LGA    I    34_D      I    34_D    24.537     0    0.000   0.120    26.238    0.000    0.000
LGA    K    35_D      K    35_D    26.142     0    0.012   0.161    32.834    0.000    0.000
LGA    F    36_D      F    36_D    23.800     0    0.020   0.107    24.771    0.000    0.000
LGA    N    37_D      N    37_D    20.838     0    0.082   0.144    22.060    0.000    0.000
LGA    I    38_D      I    38_D    22.271     0    0.062   0.190    23.819    0.000    0.000
LGA    R    39_D      R    39_D    23.300     0    0.033   1.031    25.954    0.000    0.000
LGA    V    40_D      V    40_D    20.536     0    0.009   1.331    21.476    0.000    0.000
LGA    L    41_D      L    41_D    19.573     0    0.029   1.142    20.243    0.000    0.000
LGA    D    42_D      D    42_D    22.066     0    0.014   0.710    26.513    0.000    0.000
LGA    W    43_D      W    43_D    21.827     0    0.006   0.291    22.126    0.000    0.000
LGA    I    44_D      I    44_D    19.600     0    0.004   0.051    20.244    0.000    0.000
LGA    M    45_D      M    45_D    20.736     0    0.054   1.143    21.954    0.000    0.000
LGA    A    46_D      A    46_D    23.442     0    0.051   0.055    24.270    0.000    0.000
LGA    E    47_D      E    47_D    22.482     0    0.125   0.139    24.191    0.000    0.000
LGA    A    48_D      A    48_D    21.326     0    0.357   0.358    21.880    0.000    0.000
LGA    D    49_D      D    49_D    24.092     0    0.360   1.124    29.941    0.000    0.000
LGA    N    50_D      N    50_D    18.997     0    0.544   0.641    20.751    0.000    0.000
LGA    D    51_D      D    51_D    13.379     0    0.609   0.777    14.971    0.000    0.000
LGA    L    52_D      L    52_D    14.439     0    0.316   1.281    17.125    0.000    0.000
LGA    C    53_D      C    53_D    15.887     0    0.076   0.702    19.773    0.000    0.000
LGA    Y    54_D      Y    54_D     8.690     0    0.340   1.386    11.082    4.405    9.802
LGA    F    55_D      F    55_D    10.051     0    0.165   1.185    12.524    0.357    1.645
LGA    I    56_D      I    56_D    14.295     0    0.509   1.519    16.604    0.000    0.000
LGA    G    57_D      G    57_D    19.575     0    0.430   0.430    19.575    0.000    0.000
LGA    T    58_D      T    58_D    18.261     0    0.031   1.114    19.620    0.000    0.000
LGA    H    59_D      H    59_D    20.260     0    0.529   1.220    20.260    0.000    0.000
LGA    D    60_D      D    60_D    18.453     0    0.382   1.161    24.002    0.000    0.000
LGA    K    61_D      K    61_D    16.845     0    0.113   0.987    25.934    0.000    0.000
LGA    C    62_D      C    62_D    11.085     0    0.125   0.649    13.079    1.905    1.746
LGA    E    63_D      E    63_D     5.387     0    0.606   1.082    12.716   38.810   18.889
LGA    N    64_D      N    64_D     2.410     0    0.247   1.272     5.989   49.524   39.940
LGA    P    65_D      P    65_D     2.232     0    0.194   0.218     5.461   48.810   52.653
LGA    K    66_D      K    66_D     9.047     0    0.030   0.986    18.701    4.643    2.063
LGA    E    67_D      E    67_D    13.020     0    0.057   1.161    15.670    0.000    0.000
LGA    Q    68_D      Q    68_D    11.230     0    0.030   1.022    12.994    0.000    0.053
LGA    W    69_D      W    69_D     9.197     0    0.062   1.352    12.793    0.714    5.646
LGA    V    70_D      V    70_D    16.658     0    0.022   1.339    19.481    0.000    0.000
LGA    A    71_D      A    71_D    19.718     0    0.026   0.027    21.269    0.000    0.000
LGA    N    72_D      N    72_D    16.699     0    0.020   0.088    18.195    0.000    0.000
LGA    Y    73_D      Y    73_D    16.846     0    0.007   1.289    20.832    0.000    0.000
LGA    Q    74_D      Q    74_D    24.258     0    0.101   1.402    29.139    0.000    0.000
LGA    N    75_D      N    75_D    25.991     0    0.074   0.215    27.503    0.000    0.000
LGA    L    76_D      L    76_D    23.148     0    0.247   0.914    24.867    0.000    0.000
LGA    N    77_D      N    77_D    27.094     0    0.379   1.484    31.380    0.000    0.000
LGA    N    78_D      N    78_D    28.172     0    0.627   0.635    29.104    0.000    0.000
LGA    V    79_D      V    79_D    28.437     0    0.311   1.246    29.883    0.000    0.000
LGA    V    80_D      V    80_D    24.707     0    0.060   1.345    26.657    0.000    0.000
LGA    F    81_D      F    81_D    26.762     0    0.537   1.210    30.483    0.000    0.000
LGA    T    82_D      T    82_D    32.261     0    0.653   0.574    33.435    0.000    0.000
LGA    N    83_D      N    83_D    31.849     0    0.275   0.891    37.423    0.000    0.000
LGA    K    84_D      K    84_D    32.047     0    0.625   0.950    33.180    0.000    0.000
LGA    E    85_D      E    85_D    29.016     0    0.607   0.621    34.593    0.000    0.000
LGA    L    86_D      L    86_D    24.448     0    0.652   0.966    26.238    0.000    0.000
LGA    E    87_D      E    87_D    24.979     0    0.612   0.724    31.422    0.000    0.000
LGA    D    88_D      D    88_D    22.389     0    0.365   1.068    27.799    0.000    0.000
LGA    I    89_D      I    89_D    18.015     0    0.218   1.373    20.148    0.000    0.000
LGA    Y    90_D      Y    90_D    19.236     0    0.572   1.230    23.567    0.000    0.000
LGA    D    91_D      D    91_D    20.445     0    0.584   1.259    22.357    0.000    0.000
LGA    L    92_D      L    92_D    20.807     0    0.063   1.235    24.906    0.000    0.000
LGA    S    93_D      S    93_D    20.029     0    0.028   0.058    21.585    0.000    0.000
LGA    N    94_D      N    94_D    15.138     0    0.026   1.160    16.724    0.000    0.000
LGA    K    95_D      K    95_D    13.345     0    0.604   1.054    23.789    0.000    0.000
LGA    E    96_D      E    96_D    11.239     0    0.596   1.194    13.170    0.238    0.106
LGA    E    97_D      E    97_D     6.342     0    0.614   0.490     9.987   22.619   13.175
LGA    T    98_D      T    98_D     0.275     0    0.583   1.365     4.876   91.190   68.231
LGA    K    99_D      K    99_D     0.707     0    0.015   0.808     3.131   92.857   77.513
LGA    E   100_D      E   100_D     1.095     0    0.012   0.997     2.780   88.214   77.989
LGA    V   101_D      V   101_D     0.972     0    0.045   0.905     3.564   88.214   81.156
LGA    L   102_D      L   102_D     0.586     0    0.009   1.351     3.449   95.238   82.381
LGA    K   103_D      K   103_D     0.430     0    0.032   0.456     1.765  100.000   89.788
LGA    K   104_D      K   104_D     0.882     0    0.014   0.532     2.576   90.476   78.095
LGA    F   105_D      F   105_D     1.014     0    0.013   0.074     1.722   88.214   80.779
LGA    K   106_D      K   106_D     0.730     0    0.008   1.038     6.900   92.857   66.296
LGA    E   107_D      E   107_D     0.401     0    0.021   0.130     1.364   95.238   89.577
LGA    K   108_D      K   108_D     1.307     0    0.030   1.198     4.849   83.690   63.228
LGA    V   109_D      V   109_D     1.524     0    0.012   1.340     4.328   79.286   72.653
LGA    N   110_D      N   110_D     0.869     0    0.032   0.411     2.768   95.238   84.226
LGA    Q   111_D      Q   111_D     0.752     0    0.033   0.133     3.197   92.857   77.513
LGA    F   112_D      F   112_D     1.457     0    0.055   0.116     4.170   81.429   61.126
LGA    Y   113_D      Y   113_D     1.102     0    0.049   0.625     4.049   85.952   66.032
LGA    R   114_D      R   114_D     0.689     0    0.007   0.356     2.345   90.476   81.688
LGA    H   115_D      H   115_D     0.917     0    0.081   1.206     6.910   92.857   60.714
LGA    A   116_D      A   116_D     0.610     0    0.015   0.019     0.927   90.476   90.476
LGA    F   117_D      F   117_D     0.743     0    0.017   0.169     1.933   90.476   84.026
LGA    D   118_D      D   118_D     0.721     0    0.039   0.119     1.066   90.476   88.214
LGA    I   119_D      I   119_D     0.449     0    0.007   0.136     1.303   92.976   89.464
LGA    I   120_D      I   120_D     1.885     0    0.040   0.711     4.180   70.952   63.452
LGA    N   121_D      N   121_D     2.395     0    0.010   0.125     3.056   64.881   60.119
LGA    K   122_D      K   122_D     1.919     0    0.029   0.230     2.543   68.810   67.513
LGA    Y   123_D      Y   123_D     2.289     0    0.171   1.388    11.368   70.952   33.849
LGA    G   124_D      G   124_D     1.565     0    0.180   0.180     2.195   72.976   72.976
LGA    L   125_D      L   125_D     2.036     0    0.528   1.524     7.200   71.310   50.595

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00    1059   1059  100.00               124
SUMMARY(RMSD_GDC):    16.960         16.872                 17.192           20.811   17.785

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     31    1.63    26.613    24.050     1.795

LGA_LOCAL      RMSD:   1.627  Number of atoms:   31  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  18.603  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  16.960  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.113516 * X  +   0.149273 * Y  +   0.982258 * Z  +  -9.515565
  Y_new =  -0.228889 * X  +  -0.958126 * Y  +   0.172058 * Z  + -28.793262
  Z_new =   0.966811 * X  +  -0.244359 * Y  +  -0.074596 * Z  +  50.770775 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.110399 -1.312440 -1.867082   [DEG:  -63.6212  -75.1973 -106.9759 ]
ZXZ:  1.744202  1.645461  1.818359   [DEG:   99.9354   94.2780  104.1843 ]
 
# END of job
