
#######################################################
#                                                     #
#                        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:    47      29_A - 75_A        4.79    22.56
  LONGEST_CONTINUOUS_SEGMENT:    47      30_A - 76_A        4.94    22.29
  LCS_AVERAGE:     28.10

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      32_A - 56_A        1.96    22.37
  LONGEST_CONTINUOUS_SEGMENT:    25      33_A - 57_A        1.97    22.37
  LCS_AVERAGE:     13.25

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      33_A - 51_A        0.94    23.06
  LCS_AVERAGE:      8.29

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     M     1_F     M     1_A      4    5   17      3    4    5    5    7    7    9   10   13   15   16   18   19   21   25   25   30   34   38   42 
LCS_GDT     F     2_F     F     2_A      4    5   17      3    4    5    5    7    7    9   11   13   15   16   18   19   21   25   25   30   32   37   42 
LCS_GDT     T     3_F     T     3_A      4    6   17      3    4    5    5    7    7   11   12   13   15   16   18   19   21   26   27   32   35   38   42 
LCS_GDT     G     4_F     G     4_A      4    6   20      3    4    4    4    7    7   11   12   13   15   16   18   20   24   26   27   31   35   38   42 
LCS_GDT     W     5_F     W     5_A      4    6   28      3    3    5    5    7    9   12   13   13   15   16   19   20   24   28   30   33   36   40   43 
LCS_GDT     S     6_F     S     6_A      4   10   28      3    3    4    4    6    8   12   13   13   19   21   21   23   27   28   31   33   37   40   43 
LCS_GDT     P     7_F     P     7_A      9   13   28      1    3    6   11   11   12   15   20   23   24   24   25   25   27   29   33   34   37   40   42 
LCS_GDT     F     8_F     F     8_A      9   13   28      0    4    8   11   11   12   18   22   23   24   24   25   25   27   29   33   34   39   40   43 
LCS_GDT     K     9_F     K     9_A      9   13   28      5    7    8   11   11   12   18   22   23   24   24   25   25   26   29   33   34   39   40   43 
LCS_GDT     Y    10_F     Y    10_A      9   13   28      5    7    8   11   11   14   20   22   23   24   24   25   43   43   44   45   46   47   47   49 
LCS_GDT     S    11_F     S    11_A      9   13   28      4    7    8   11   11   16   20   22   23   24   24   42   43   43   44   45   46   47   47   49 
LCS_GDT     K    12_F     K    12_A      9   13   28      5    7    8   11   12   16   20   22   23   35   42   42   43   43   44   45   46   47   47   49 
LCS_GDT     G    13_F     G    13_A      9   13   28      5    7    8   11   13   16   20   22   23   24   24   25   28   33   39   44   44   47   47   49 
LCS_GDT     N    14_F     N    14_A      9   13   28      5    7    8   11   13   16   20   22   23   24   24   25   25   26   35   38   41   44   46   49 
LCS_GDT     T    15_F     T    15_A      9   13   28      4    7    8   11   13   16   20   22   23   24   24   25   25   26   29   33   37   40   43   45 
LCS_GDT     V    16_F     V    16_A      8   14   28      4    6    7   11   13   16   20   22   23   24   24   25   25   29   36   38   39   44   46   49 
LCS_GDT     T    17_F     T    17_A      7   14   28      4    6    7   11   13   16   20   22   23   24   24   25   25   27   29   34   37   39   42   45 
LCS_GDT     F    18_F     F    18_A      7   14   28      4    6    7    9   13   16   20   22   23   24   24   25   25   27   32   34   37   40   42   45 
LCS_GDT     K    19_F     K    19_A      7   14   28      5    5    7    9   13   16   20   22   23   24   24   25   25   27   29   32   35   38   41   44 
LCS_GDT     T    20_F     T    20_A      6   14   28      5    5    6   10   13   16   20   22   23   24   24   25   25   25   27   31   37   39   42   45 
LCS_GDT     P    21_F     P    21_A      6   14   28      5    5    6   10   13   16   20   22   23   24   24   25   25   25   26   31   34   38   40   43 
LCS_GDT     D    22_F     D    22_A      6   14   28      5    5    6    8   12   16   20   22   23   24   24   25   25   25   26   31   35   38   40   43 
LCS_GDT     E    23_F     E    23_A      6   14   30      5    5    6    8   13   16   20   22   23   24   24   25   25   25   26   31   35   38   40   42 
LCS_GDT     S    24_F     S    24_A      3   14   31      3    5    6   10   13   16   20   22   23   24   24   25   25   27   30   32   35   38   41   43 
LCS_GDT     S    25_F     S    25_A      5   14   31      3    4    5    8   13   16   20   22   23   24   24   26   28   29   32   34   37   38   41   44 
LCS_GDT     I    26_F     I    26_A      5   14   32      4    5    6   10   13   16   20   22   23   25   26   26   28   29   32   34   37   39   42   44 
LCS_GDT     A    27_F     A    27_A      5   14   33      4    5    6   10   13   16   20   22   24   25   26   26   28   29   32   34   36   38   41   44 
LCS_GDT     Y    28_F     Y    28_A      5   14   46      4    5    6   10   13   16   20   22   24   25   26   26   28   29   32   34   37   39   42   45 
LCS_GDT     M    29_F     M    29_A      5   23   47      4    4    6   10   13   16   20   22   23   25   26   27   28   29   32   38   39   41   44   47 
LCS_GDT     R    30_F     R    30_A      5   24   47      3    5    6   10   18   21   22   24   26   28   34   39   40   43   44   45   46   47   47   49 
LCS_GDT     F    31_F     F    31_A      5   24   47      0    3    4    8   13   20   26   31   36   40   42   42   43   43   44   45   46   47   47   49 
LCS_GDT     R    32_F     R    32_A     17   25   47      4   10   16   20   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     N    33_F     N    33_A     19   25   47      7   13   18   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     C    34_F     C    34_A     19   25   47      4   13   18   20   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     V    35_F     V    35_A     19   25   47      7   15   18   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   49 
LCS_GDT     F    36_F     F    36_A     19   25   47      7   15   18   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   49 
LCS_GDT     T    37_F     T    37_A     19   25   47      7   15   18   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   49 
LCS_GDT     F    38_F     F    38_A     19   25   47      6   13   18   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   49 
LCS_GDT     T    39_F     T    39_A     19   25   47      7   15   18   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   49 
LCS_GDT     D    40_F     D    40_A     19   25   47      7   15   18   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   49 
LCS_GDT     P    41_F     P    41_A     19   25   47      6   15   17   20   24   28   32   37   39   40   42   42   42   43   44   45   46   47   47   49 
LCS_GDT     K    42_F     K    42_A     19   25   47      6   15   18   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   49 
LCS_GDT     G    43_F     G    43_A     19   25   47      6   15   18   20   22   28   33   37   39   40   42   42   43   43   44   45   46   47   47   49 
LCS_GDT     S    44_F     S    44_A     19   25   47      7   15   18   20   22   26   31   36   39   40   42   42   43   43   44   45   46   47   47   49 
LCS_GDT     L    45_F     L    45_A     19   25   47      7   15   18   20   22   26   31   36   39   40   42   42   43   43   44   45   46   47   47   49 
LCS_GDT     H    46_F     H    46_A     19   25   47      7   15   18   20   22   28   31   37   39   40   42   42   43   43   44   45   46   47   47   49 
LCS_GDT     S    47_F     S    47_A     19   25   47      7   15   18   20   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   49 
LCS_GDT     I    48_F     I    48_A     19   25   47      7   15   18   20   22   28   33   37   39   40   42   42   43   43   44   45   46   47   47   49 
LCS_GDT     D    49_F     D    49_A     19   25   47      7   15   18   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     V    50_F     V    50_A     19   25   47     11   15   18   20   22   27   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     T    51_F     T    51_A     19   25   47     11   15   18   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     E    52_F     E    52_A     14   25   47     11   11   13   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     V    53_F     V    53_A     14   25   47     11   11   13   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     L    54_F     L    54_A     14   25   47     11   11   13   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     N    55_F     N    55_A     14   25   47     11   11   13   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     N    56_F     N    56_A     14   25   47     11   11   13   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     M    57_F     M    57_A     14   25   47     11   11   13   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     A    58_F     A    58_A     14   23   47     11   11   13   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     K    59_F     K    59_A     14   23   47     11   11   13   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     G    60_F     G    60_A     14   23   47     11   11   13   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     F    61_F     F    61_A     14   23   47      7   11   13   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     R    62_F     R    62_A     14   23   47      7   11   13   21   24   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     D    63_F     D    63_A     14   23   47      7   11   11   19   22   27   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     A    64_F     A    64_A     11   23   47      7   11   11   19   21   27   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     Q    65_F     Q    65_A     11   23   47      7   11   11   19   21   26   31   36   38   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     N    66_F     N    66_A     11   23   47      7   11   12   19   21   27   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     P    67_F     P    67_A     11   23   47      7   11   12   19   23   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     P    68_F     P    68_A     11   23   47      3   11   12   19   23   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     S    69_F     S    69_A     11   23   47      3   11   11   17   21   28   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     S    70_F     S    70_A     11   23   47      5   11   11   14   21   26   33   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     F    71_F     F    71_A     11   23   47      3   11   11   14   21   26   32   37   39   40   42   42   43   43   44   45   46   47   47   50 
LCS_GDT     T    72_F     T    72_A      9   17   47      1    6   10   13   14   15   18   25   25   30   38   41   42   43   44   45   46   47   47   50 
LCS_GDT     L    73_F     L    73_A      8   15   47      2    6   10   13   14   15   18   25   25   27   31   38   42   43   44   45   46   47   47   50 
LCS_GDT     G    74_F     G    74_A      7   15   47      3    4    7   11   14   15   17   20   24   26   30   34   40   43   44   44   46   46   47   50 
LCS_GDT     G    75_F     G    75_A      4    9   47      3    4    7    9   13   15   17   20   20   25   30   33   37   40   42   43   44   46   47   50 
LCS_GDT     H    76_F     H    76_A      5    9   47      3    5    7    9   13   15   17   20   20   21   26   31   37   40   42   43   44   46   47   50 
LCS_GDT     C    77_F     C    77_A      5    9   33      3    5    7    9   13   15   17   20   20   22   28   33   37   40   42   43   44   46   47   50 
LCS_GDT     Q    78_F     Q    78_A      5    9   33      3    5    7    9   13   15   17   20   20   25   30   33   37   40   42   43   44   46   47   50 
LCS_GDT     A    79_F     A    79_A      5    9   33      3    5    7    9   13   15   17   20   20   22   26   33   37   40   42   43   44   46   47   50 
LCS_GDT     P    80_F     P    80_A      5    9   33      3    5    7    9   13   15   17   20   20   21   25   30   35   40   42   43   44   46   47   50 
LCS_GDT     L    81_F     L    81_A      6    9   33      3    4    7    9   13   15   17   20   20   21   25   30   37   40   42   43   44   46   47   50 
LCS_GDT     N    82_F     N    82_A      6    8   25      5    5    6    7   12   15   17   20   20   21   25   25   28   29   31   36   39   42   47   50 
LCS_GDT     A    83_F     A    83_A      6    8   25      5    5    6    7    8    9   10   14   17   20   25   25   28   29   31   33   35   36   38   42 
LCS_GDT     F    84_F     F    84_A      6    9   25      5    5    6    7    8    8   11   14   15   20   25   25   28   29   31   34   38   42   47   50 
LCS_GDT     S    85_F     S    85_A      8   10   25      5    5    8    8   11   14   17   20   20   22   26   30   37   40   42   43   44   46   47   50 
LCS_GDT     F    86_F     F    86_A      8   10   25      5    7   14   16   18   19   19   20   22   25   30   33   37   40   42   43   44   46   47   50 
LCS_GDT     V    87_F     V    87_A      8   10   27      3    7    8    8   12   18   18   21   22   23   26   31   37   40   42   43   44   46   47   50 
LCS_GDT     L    88_F     L    88_A      8   10   27      5    7    8   10   14   16   17   21   22   23   27   33   37   40   42   43   44   46   47   50 
LCS_GDT     P    89_F     P    89_A      8   10   27      5    7    8    8    9   12   15   20   20   21   25   26   33   37   41   42   44   46   47   50 
LCS_GDT     G    90_F     G    90_A      8   10   27      5    7    8    9   13   15   17   20   20   21   26   29   33   37   41   42   44   46   47   50 
LCS_GDT     V    91_F     V    91_A      8   10   27      5    7    8    8   13   15   17   20   20   22   26   30   35   38   41   42   44   46   47   50 
LCS_GDT     N    92_F     N    92_A      8   10   27      5    7    8    8    9   13   17   20   20   21   25   28   32   36   40   42   44   46   47   50 
LCS_GDT     D    93_F     D    93_A      4   10   27      3    4    6   10   13   16   17   21   22   23   25   25   28   32   35   37   41   43   45   47 
LCS_GDT     R    94_F     R    94_A      4   10   27      3    4    4    6    9    9   17   21   22   23   25   26   28   29   31   33   35   39   43   46 
LCS_GDT     A    95_F     A    95_A      4   16   27      3    4    7   10   14   16   17   21   22   23   25   26   26   27   28   29   33   39   40   42 
LCS_GDT     T    96_F     T    96_A      3   17   27      3    4    4    6    8   14   17   21   22   23   25   26   26   28   31   33   35   39   40   43 
LCS_GDT     V    97_F     V    97_A     15   18   27      3    9   13   16   17   19   19   21   22   23   25   26   28   29   31   33   35   39   40   43 
LCS_GDT     A    98_F     A    98_A     15   18   27      3    9   13   16   18   19   19   20   22   23   25   26   26   27   29   32   35   39   40   43 
LCS_GDT     T    99_F     T    99_A     15   18   27      6   12   15   16   18   19   19   21   22   23   25   26   28   29   31   33   35   39   40   43 
LCS_GDT     A   100_F     A   100_A     15   18   27      7   12   15   16   18   19   19   21   22   23   25   26   28   29   31   33   35   39   40   43 
LCS_GDT     D   101_F     D   101_A     15   18   27      7   12   15   16   18   19   19   21   22   23   25   26   28   29   31   33   35   39   40   42 
LCS_GDT     E   102_F     E   102_A     15   18   27      7   12   15   16   18   19   19   21   22   23   25   26   28   29   31   33   35   39   40   43 
LCS_GDT     A   103_F     A   103_A     15   18   27      7   12   15   16   18   19   19   21   22   23   25   26   28   29   31   35   39   42   44   46 
LCS_GDT     K   104_F     K   104_A     15   18   27      7   12   15   16   18   19   19   21   22   23   25   26   27   29   32   36   39   42   44   46 
LCS_GDT     K   105_F     K   105_A     15   18   27      7   12   15   16   18   19   19   21   22   23   25   26   26   29   32   36   39   42   44   47 
LCS_GDT     W   106_F     W   106_A     15   18   27      7   12   15   16   18   19   19   21   22   23   25   26   29   34   40   41   43   46   47   50 
LCS_GDT     E   107_F     E   107_A     15   18   27      6   12   15   16   18   19   19   21   22   23   25   29   32   36   41   42   44   46   47   50 
LCS_GDT     N   108_F     N   108_A     15   18   27      7   12   15   16   18   19   19   21   22   23   26   31   37   40   42   43   44   46   47   50 
LCS_GDT     C   109_F     C   109_A     15   18   27      7   12   15   16   18   19   19   21   22   23   26   31   37   40   42   43   44   46   47   50 
LCS_GDT     D   110_F     D   110_A     15   18   27      7   12   15   16   18   19   19   21   23   25   30   33   37   40   42   43   44   45   46   47 
LCS_GDT     A   111_F     A   111_A     15   18   27      5   12   15   16   18   19   19   21   23   25   30   33   36   40   42   43   44   45   46   47 
LCS_GDT     T   112_F     T   112_A     15   18   27      1    7   15   16   18   19   19   21   22   23   25   26   27   29   31   34   34   39   41   46 
LCS_GDT     L   113_F     L   113_A     15   18   27      0    7   15   16   18   19   19   20   22   23   25   26   26   27   30   32   34   39   41   43 
LCS_GDT     T   114_F     T   114_A      4   18   26      1    3    4   14   18   19   19   20   22   23   25   26   26   27   28   31   34   39   40   43 
LCS_GDT     G   115_F     G   115_A      3   18   26      3    3    6    7    8    8   14   18   20   22   25   26   26   27   28   31   34   39   40   43 
LCS_GDT     L   116_F     L   116_A      3    7   26      3    3    3    5    6    8   10   15   19   22   25   26   26   27   28   31   33   39   40   43 
LCS_GDT     Q   117_F     Q   117_A      3    6   26      3    3    3    4    7   12   15   17   19   22   23   26   26   27   28   32   35   36   38   41 
LCS_GDT     R   118_F     R   118_A      3    5   26      3    3    3    4    5    8    8   11   14   17   20   23   25   26   28   31   35   36   38   41 
LCS_GDT     I   119_F     I   119_A      3    5   25      3    3    3    4    5    8    9   11   13   17   19   20   22   24   28   32   35   36   38   42 
LCS_GDT     I   120_F     I   120_A      3    5   25      3    3    3    4    6    8    9   10   13   17   19   22   25   29   31   32   35   36   38   42 
LCS_GDT     H   121_F     H   121_A      3    5   25      3    3    3    4    5    8    9   10   13   13   16   20   21   24   28   31   33   36   38   42 
LCS_GDT     H   122_F     H   122_A      3    5   23      3    3    3    4    5    8    9   10   13   13   15   16   21   24   27   28   31   35   38   42 
LCS_GDT     H   123_F     H   123_A      3    5   20      3    3    3    4    7    8    9   10   13   13   15   17   20   24   27   28   30   31   37   42 
LCS_GDT     H   124_F     H   124_A      3    4   19      3    3    5    5    7    7    9   10   10   11   15   16   17   19   21   28   30   34   38   42 
LCS_AVERAGE  LCS_A:  16.55  (   8.29   13.25   28.10 )

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     11     15     18     21     24     28     33     37     39     40     42     42     43     43     44     45     46     47     47     50 
GDT PERCENT_AT   8.87  12.10  14.52  16.94  19.35  22.58  26.61  29.84  31.45  32.26  33.87  33.87  34.68  34.68  35.48  36.29  37.10  37.90  37.90  40.32
GDT RMS_LOCAL    0.31   0.63   0.88   1.45   1.54   1.92   2.30   2.54   2.73   2.79   3.03   3.03   3.42   3.21   3.50   3.67   3.84   4.05   4.06   6.30
GDT RMS_ALL_AT  21.60  23.17  22.97  22.60  22.57  22.59  23.03  22.90  22.98  23.01  23.08  23.08  23.42  23.01  23.32  23.24  23.24  23.15  23.26  21.89

# Checking swapping
#   possible swapping detected:  F     2_F      F     2_A
#   possible swapping detected:  F     8_F      F     8_A
#   possible swapping detected:  D    22_F      D    22_A
#   possible swapping detected:  E    23_F      E    23_A
#   possible swapping detected:  Y    28_F      Y    28_A
#   possible swapping detected:  F    31_F      F    31_A
#   possible swapping detected:  F    36_F      F    36_A
#   possible swapping detected:  D    40_F      D    40_A
#   possible swapping detected:  D    49_F      D    49_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:  D    93_F      D    93_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    37.294     0    0.023   0.874    39.063    0.000    0.000
LGA    F     2_F      F     2_A    32.604     0    0.033   1.267    33.974    0.000    0.000
LGA    T     3_F      T     3_A    31.073     0    0.686   1.094    35.223    0.000    0.000
LGA    G     4_F      G     4_A    27.606     0    0.214   0.214    28.969    0.000    0.000
LGA    W     5_F      W     5_A    21.963     0    0.217   0.571    24.392    0.000    0.000
LGA    S     6_F      S     6_A    20.254     0    0.155   0.211    21.169    0.000    0.000
LGA    P     7_F      P     7_A    18.311     0    0.660   0.589    19.405    0.000    0.000
LGA    F     8_F      F     8_A    13.728     0    0.238   1.280    15.017    0.000    4.286
LGA    K     9_F      K     9_A    14.507     0    0.039   0.443    21.882    0.000    0.000
LGA    Y    10_F      Y    10_A    10.620     0    0.047   1.407    12.011    0.000    0.397
LGA    S    11_F      S    11_A    10.360     0    0.090   0.612    13.505    1.429    0.952
LGA    K    12_F      K    12_A     6.996     0    0.029   0.147     9.497    6.667   10.529
LGA    G    13_F      G    13_A    10.545     0    0.024   0.024    14.156    1.190    1.190
LGA    N    14_F      N    14_A    12.829     0    0.075   0.160    14.579    0.000    0.000
LGA    T    15_F      T    15_A    16.410     0    0.102   1.212    20.933    0.000    0.000
LGA    V    16_F      V    16_A    14.545     0    0.148   1.088    17.523    0.000    0.000
LGA    T    17_F      T    17_A    19.660     0    0.165   1.107    24.358    0.000    0.000
LGA    F    18_F      F    18_A    18.526     0    0.108   1.291    22.653    0.000    0.000
LGA    K    19_F      K    19_A    23.513     0    0.022   0.916    31.631    0.000    0.000
LGA    T    20_F      T    20_A    23.521     0    0.023   0.033    27.114    0.000    0.000
LGA    P    21_F      P    21_A    27.213     0    0.032   0.244    31.094    0.000    0.000
LGA    D    22_F      D    22_A    30.085     0    0.432   1.240    30.608    0.000    0.000
LGA    E    23_F      E    23_A    31.879     0    0.286   0.381    38.367    0.000    0.000
LGA    S    24_F      S    24_A    32.094     0    0.658   0.575    32.395    0.000    0.000
LGA    S    25_F      S    25_A    28.291     0    0.325   0.344    29.494    0.000    0.000
LGA    I    26_F      I    26_A    24.287     0    0.127   1.258    26.293    0.000    0.000
LGA    A    27_F      A    27_A    24.905     0    0.087   0.096    27.421    0.000    0.000
LGA    Y    28_F      Y    28_A    19.522     0    0.138   1.330    26.146    0.000    0.000
LGA    M    29_F      M    29_A    14.855     0    0.130   1.013    16.904    0.000    0.000
LGA    R    30_F      R    30_A     9.201     0    0.159   1.396    14.526    3.929    1.688
LGA    F    31_F      F    31_A     6.016     0    0.566   0.478     9.045   21.786   14.199
LGA    R    32_F      R    32_A     1.850     0    0.050   0.459     4.500   57.738   59.307
LGA    N    33_F      N    33_A     2.367     0    0.027   0.084     4.260   60.119   50.952
LGA    C    34_F      C    34_A     3.396     0    0.070   0.144     5.927   65.238   53.254
LGA    V    35_F      V    35_A     2.619     0    0.049   0.052     4.261   50.357   47.347
LGA    F    36_F      F    36_A     2.380     0    0.042   1.404     9.416   75.238   40.649
LGA    T    37_F      T    37_A     2.273     0    0.062   0.110     4.122   62.857   53.605
LGA    F    38_F      F    38_A     1.106     0    0.115   1.200     7.558   79.286   53.506
LGA    T    39_F      T    39_A     1.018     0    0.176   1.054     5.046   79.524   65.578
LGA    D    40_F      D    40_A     2.341     0    0.012   0.123     5.017   75.119   58.810
LGA    P    41_F      P    41_A     2.973     0    0.010   0.120     5.666   65.357   50.204
LGA    K    42_F      K    42_A     2.552     0    0.032   0.332     9.685   54.048   32.857
LGA    G    43_F      G    43_A     3.571     0    0.023   0.023     5.645   40.238   40.238
LGA    S    44_F      S    44_A     5.786     0    0.060   0.127     7.272   30.595   24.286
LGA    L    45_F      L    45_A     5.204     0    0.022   1.288     6.808   22.738   20.536
LGA    H    46_F      H    46_A     4.529     0    0.075   1.147    10.161   42.262   22.619
LGA    S    47_F      S    47_A     3.111     0    0.050   0.673     4.487   45.119   44.603
LGA    I    48_F      I    48_A     3.139     0    0.042   1.229     6.630   65.595   47.679
LGA    D    49_F      D    49_A     1.760     0    0.058   0.247     3.064   63.095   67.083
LGA    V    50_F      V    50_A     2.976     0    0.268   1.222     6.374   62.976   51.905
LGA    T    51_F      T    51_A     1.425     0    0.023   0.031     2.006   81.786   80.408
LGA    E    52_F      E    52_A     1.241     0    0.053   1.091     6.700   81.429   54.286
LGA    V    53_F      V    53_A     2.312     0    0.046   0.075     3.509   68.810   60.816
LGA    L    54_F      L    54_A     2.105     0    0.009   0.045     3.683   70.833   59.643
LGA    N    55_F      N    55_A     0.882     0    0.008   0.163     1.676   88.214   83.810
LGA    N    56_F      N    56_A     0.949     0    0.022   0.069     2.284   90.476   80.655
LGA    M    57_F      M    57_A     1.599     0    0.012   0.885     5.535   77.143   64.583
LGA    A    58_F      A    58_A     1.651     0    0.007   0.006     2.027   79.286   76.381
LGA    K    59_F      K    59_A     0.702     0    0.092   0.977     7.949   90.476   62.328
LGA    G    60_F      G    60_A     1.142     0    0.181   0.181     1.473   83.690   83.690
LGA    F    61_F      F    61_A     2.067     0    0.216   1.261     6.422   72.976   50.260
LGA    R    62_F      R    62_A     1.465     0    0.161   1.519     3.072   75.000   71.905
LGA    D    63_F      D    63_A     3.223     0    0.039   0.197     4.033   50.119   45.179
LGA    A    64_F      A    64_A     3.315     0    0.018   0.029     3.392   50.000   51.429
LGA    Q    65_F      Q    65_A     4.343     0    0.056   0.382     6.514   38.690   27.778
LGA    N    66_F      N    66_A     3.633     0    0.021   0.741     6.850   50.238   40.774
LGA    P    67_F      P    67_A     1.887     0    0.048   0.069     2.444   68.810   70.612
LGA    P    68_F      P    68_A     1.995     0    0.079   0.164     2.011   70.833   71.701
LGA    S    69_F      S    69_A     3.474     0    0.212   0.319     5.028   48.452   42.857
LGA    S    70_F      S    70_A     3.668     0    0.031   0.114     4.682   46.667   42.540
LGA    F    71_F      F    71_A     3.937     0    0.115   1.135     6.122   33.571   31.082
LGA    T    72_F      T    72_A     7.300     0    0.018   0.447     9.082   11.071    9.864
LGA    L    73_F      L    73_A     8.934     0    0.089   0.775     9.881    2.143    2.857
LGA    G    74_F      G    74_A    11.036     0    0.587   0.587    12.881    0.000    0.000
LGA    G    75_F      G    75_A    16.738     0    0.034   0.034    17.627    0.000    0.000
LGA    H    76_F      H    76_A    20.667     0    0.184   1.356    25.163    0.000    0.000
LGA    C    77_F      C    77_A    20.607     0    0.649   0.868    22.390    0.000    0.000
LGA    Q    78_F      Q    78_A    17.688     0    0.208   1.189    19.841    0.000    0.000
LGA    A    79_F      A    79_A    19.960     0    0.040   0.056    21.891    0.000    0.000
LGA    P    80_F      P    80_A    18.125     0    0.181   0.352    20.941    0.000    0.000
LGA    L    81_F      L    81_A    17.276     0    0.071   1.296    19.649    0.000    0.000
LGA    N    82_F      N    82_A    21.899     0    0.168   0.867    24.212    0.000    0.000
LGA    A    83_F      A    83_A    21.050     0    0.081   0.089    22.890    0.000    0.000
LGA    F    84_F      F    84_A    20.052     0    0.034   0.043    26.737    0.000    0.000
LGA    S    85_F      S    85_A    17.067     0    0.649   0.750    18.040    0.000    0.000
LGA    F    86_F      F    86_A    15.208     0    0.037   1.193    18.109    0.000    0.519
LGA    V    87_F      V    87_A    21.563     0    0.024   0.066    26.327    0.000    0.000
LGA    L    88_F      L    88_A    21.150     0    0.065   1.390    25.021    0.000    0.000
LGA    P    89_F      P    89_A    28.256     0    0.025   0.100    29.409    0.000    0.000
LGA    G    90_F      G    90_A    31.169     0    0.027   0.027    31.169    0.000    0.000
LGA    V    91_F      V    91_A    26.226     0    0.093   0.108    27.650    0.000    0.000
LGA    N    92_F      N    92_A    26.543     0    0.578   0.524    28.291    0.000    0.000
LGA    D    93_F      D    93_A    31.533     0    0.157   1.139    36.470    0.000    0.000
LGA    R    94_F      R    94_A    33.931     0    0.635   0.710    40.071    0.000    0.000
LGA    A    95_F      A    95_A    35.950     0    0.635   0.605    39.290    0.000    0.000
LGA    T    96_F      T    96_A    39.159     0    0.623   1.233    39.891    0.000    0.000
LGA    V    97_F      V    97_A    39.598     0    0.241   0.518    41.229    0.000    0.000
LGA    A    98_F      A    98_A    44.427     0    0.132   0.144    47.194    0.000    0.000
LGA    T    99_F      T    99_A    47.878     0    0.020   0.030    51.538    0.000    0.000
LGA    A   100_F      A   100_A    47.203     0    0.017   0.020    48.790    0.000    0.000
LGA    D   101_F      D   101_A    50.736     0    0.000   0.626    56.431    0.000    0.000
LGA    E   102_F      E   102_A    46.135     0    0.074   1.254    47.923    0.000    0.000
LGA    A   103_F      A   103_A    40.805     0    0.030   0.037    43.068    0.000    0.000
LGA    K   104_F      K   104_A    43.251     0    0.015   1.038    48.518    0.000    0.000
LGA    K   105_F      K   105_A    42.667     0    0.044   0.208    51.933    0.000    0.000
LGA    W   106_F      W   106_A    35.779     0    0.041   0.441    38.786    0.000    0.000
LGA    E   107_F      E   107_A    34.252     0    0.025   1.081    41.097    0.000    0.000
LGA    N   108_F      N   108_A    31.605     0    0.023   0.119    37.365    0.000    0.000
LGA    C   109_F      C   109_A    28.449     0    0.013   0.206    32.039    0.000    0.000
LGA    D   110_F      D   110_A    22.443     0    0.108   1.240    24.949    0.000    0.000
LGA    A   111_F      A   111_A    18.268     0    0.059   0.068    19.521    0.000    0.000
LGA    T   112_F      T   112_A    15.657     0    0.087   0.925    19.316    0.000    0.000
LGA    L   113_F      L   113_A    13.143     0    0.174   0.830    13.849    0.000    0.000
LGA    T   114_F      T   114_A    17.524     0    0.681   0.734    20.984    0.000    0.000
LGA    G   115_F      G   115_A    19.224     0    0.162   0.162    19.224    0.000    0.000
LGA    L   116_F      L   116_A    21.463     0    0.662   0.949    22.705    0.000    0.000
LGA    Q   117_F      Q   117_A    25.021     0    0.654   1.178    27.976    0.000    0.000
LGA    R   118_F      R   118_A    28.930     0    0.703   1.398    40.200    0.000    0.000
LGA    I   119_F      I   119_A    28.464     0    0.390   0.408    31.435    0.000    0.000
LGA    I   120_F      I   120_A    33.934     0    0.114   0.224    36.443    0.000    0.000
LGA    H   121_F      H   121_A    38.876     0    0.091   0.307    42.382    0.000    0.000
LGA    H   122_F      H   122_A    40.609     0    0.147   1.301    41.615    0.000    0.000
LGA    H   123_F      H   123_A    45.366     0    0.398   1.205    47.083    0.000    0.000
LGA    H   124_F      H   124_A    51.004     0    0.131   0.894    55.078    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):    17.510         17.394                 18.243           20.671   17.615

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     37    2.54    23.790    22.122     1.404

LGA_LOCAL      RMSD:   2.535  Number of atoms:   37  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  22.904  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  17.510  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.279723 * X  +   0.413570 * Y  +   0.866438 * Z  + -60.350327
  Y_new =  -0.821424 * X  +  -0.364089 * Y  +   0.438978 * Z  +  10.234116
  Z_new =   0.497009 * X  +  -0.834505 * Y  +   0.237872 * Z  +   4.511588 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.242579 -0.520148 -1.293115   [DEG:  -71.1945  -29.8023  -74.0900 ]
ZXZ:  2.039747  1.330622  2.604434   [DEG:  116.8689   76.2390  149.2231 ]
 
# END of job
