
#######################################################
#                                                     #
#                        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  130 ( 1045),  selected  130 , name one
# Molecule2: number of CA atoms  157 ( 1259),  selected  130 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      10_A - 42_A        4.81    25.52
  LONGEST_CONTINUOUS_SEGMENT:    33      55_A - 87_A        4.97    27.27
  LONGEST_CONTINUOUS_SEGMENT:    33      59_A - 91_A        4.98    27.30
  LCS_AVERAGE:     18.69

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      10_A - 30_A        1.96    29.52
  LCS_AVERAGE:      8.95

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      73_A - 88_A        0.97    27.35
  LCS_AVERAGE:      6.46

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  130
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     L    10_A     L    10_A     14   21   33     10   12   14   19   20   21   22   23   25   27   28   30   31   31   32   32   32   32   34   34 
LCS_GDT     Q    11_A     Q    11_A     14   21   33     10   12   14   19   20   21   22   23   25   27   28   30   31   31   32   32   32   33   35   36 
LCS_GDT     A    12_A     A    12_A     14   21   33     10   12   14   19   20   21   22   23   25   27   28   30   31   31   32   32   32   34   35   36 
LCS_GDT     F    13_A     F    13_A     14   21   33     10   12   14   19   20   21   22   23   25   27   28   30   31   31   32   32   32   34   35   36 
LCS_GDT     F    14_A     F    14_A     14   21   33     10   12   14   19   20   21   22   23   25   27   28   30   31   31   32   32   35   37   39   44 
LCS_GDT     E    15_A     E    15_A     14   21   33     10   12   14   19   20   21   22   23   25   27   28   30   31   31   32   32   35   37   40   44 
LCS_GDT     V    16_A     V    16_A     14   21   33     10   12   14   19   20   21   22   23   25   27   28   30   31   31   32   32   32   35   39   40 
LCS_GDT     H    17_A     H    17_A     14   21   33     10   12   14   19   20   21   22   23   25   27   28   30   31   31   32   32   33   37   39   40 
LCS_GDT     T    18_A     T    18_A     14   21   33     10   12   14   19   20   21   22   23   25   27   28   30   31   31   32   32   35   37   40   44 
LCS_GDT     R    19_A     R    19_A     14   21   33     10   12   14   19   20   21   22   23   25   27   28   30   31   31   32   32   35   37   40   44 
LCS_GDT     L    20_A     L    20_A     14   21   33      4   12   14   19   20   21   22   23   25   27   28   30   31   31   32   32   35   37   39   40 
LCS_GDT     V    21_A     V    21_A     14   21   33      5   10   14   19   20   21   22   23   25   27   28   30   31   31   32   32   35   37   40   44 
LCS_GDT     H    22_A     H    22_A     14   21   33      5   10   14   19   20   21   22   23   25   27   28   30   31   31   32   32   35   37   40   44 
LCS_GDT     R    23_A     R    23_A     14   21   33      5   10   14   19   20   21   22   23   25   27   28   30   31   31   32   32   35   37   39   43 
LCS_GDT     L    24_A     L    24_A     10   21   33      4    6   11   16   20   21   22   23   25   27   28   30   31   31   32   32   35   37   39   43 
LCS_GDT     A    25_A     A    25_A      4   21   33      3    4    4    8   12   19   22   23   25   27   28   30   31   31   32   32   35   37   39   43 
LCS_GDT     G    26_A     G    26_A      4   21   33      3    4    4    8   17   19   21   23   25   27   28   30   31   31   32   32   35   37   40   44 
LCS_GDT     I    27_A     I    27_A      4   21   33      4    4   14   19   20   21   22   23   25   27   28   30   31   31   32   32   35   37   40   44 
LCS_GDT     E    28_A     E    28_A      4   21   33      4    4    8   19   20   21   22   23   25   27   28   30   31   31   32   33   38   44   46   48 
LCS_GDT     P    29_A     P    29_A      4   21   33      4    5   12   19   20   21   22   23   25   27   28   30   31   31   32   35   38   44   46   48 
LCS_GDT     D    30_A     D    30_A     10   21   33      4    8   14   19   20   21   22   23   25   27   28   32   33   37   39   39   41   44   46   48 
LCS_GDT     P    31_A     P    31_A     10   11   33      9    9   10   10   10   11   19   23   25   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     R    32_A     R    32_A     10   11   33      9    9   10   10   10   10   11   14   16   25   28   32   34   37   39   39   41   44   46   48 
LCS_GDT     F    33_A     F    33_A     10   11   33     10   12   14   19   20   21   22   23   25   27   28   32   34   37   39   39   41   44   46   48 
LCS_GDT     E    34_A     E    34_A     10   11   33      9    9   10   10   10   10   11   18   25   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     I    35_A     I    35_A     10   11   33      9    9   10   10   10   10   14   19   24   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     L    36_A     L    36_A     10   11   33      9    9   10   10   13   21   22   23   25   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     D    37_A     D    37_A     10   11   33      9    9   10   10   10   12   19   22   25   27   28   30   31   37   39   39   41   44   46   48 
LCS_GDT     K    38_A     K    38_A     10   11   33      9    9   10   10   10   10   11   12   20   25   28   29   31   31   33   35   41   44   46   47 
LCS_GDT     Y    39_A     Y    39_A     10   11   33      9    9   10   10   10   13   17   21   25   27   28   32   34   37   39   39   41   44   46   48 
LCS_GDT     I    40_A     I    40_A      3   11   33      3    3    4    6    8   10   15   19   24   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     F    41_A     F    41_A      8   14   33      4    8    9   10   14   15   16   19   23   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     R    42_A     R    42_A      8   14   33      4    8    9   10   14   15   16   17   18   19   20   21   24   31   35   37   41   44   46   48 
LCS_GDT     Q    43_A     Q    43_A      8   14   32      4    8    9   10   14   15   16   17   18   19   20   23   27   29   29   35   40   43   46   48 
LCS_GDT     I    44_A     I    44_A      8   14   30      4    8    9   10   14   15   16   17   18   19   23   25   27   29   33   34   40   44   46   48 
LCS_GDT     V    45_A     V    45_A      8   14   24      4    8    9   10   14   15   16   17   18   19   20   21   23   24   27   29   31   36   39   44 
LCS_GDT     A    46_A     A    46_A      8   14   24      4    8    9   10   14   15   16   17   18   19   20   21   23   24   25   27   30   31   33   35 
LCS_GDT     D    47_A     D    47_A      8   14   24      4    8    9   10   14   15   16   17   18   19   20   21   25   27   28   30   31   34   35   35 
LCS_GDT     N    48_A     N    48_A      8   14   24      3    8    9   10   14   15   16   17   18   19   20   21   23   26   28   32   35   37   39   44 
LCS_GDT     P    49_A     P    49_A      4   14   24      3    5    7   10   14   15   16   17   18   19   20   22   25   28   31   32   35   37   41   44 
LCS_GDT     E    50_A     E    50_A      5   14   24      3    3    5    9   14   15   16   17   18   19   20   22   25   28   31   32   35   37   41   44 
LCS_GDT     E    51_A     E    51_A      5   14   24      4    4    5   10   14   15   16   17   18   19   20   21   23   24   25   28   33   36   41   44 
LCS_GDT     R    52_A     R    52_A      5   14   24      4    4    5   10   14   15   16   17   18   19   20   21   23   24   26   30   33   37   40   44 
LCS_GDT     E    53_A     E    53_A      5   14   24      4    5    7   10   14   15   16   17   18   19   20   21   23   24   28   33   37   41   46   51 
LCS_GDT     K    54_A     K    54_A      5   14   24      4    4    6    8   14   15   16   17   18   19   20   21   25   28   32   33   36   37   40   46 
LCS_GDT     I    55_A     I    55_A      5    8   33      4    4    5    7    8    9   11   17   18   21   22   25   31   31   32   34   36   37   40   41 
LCS_GDT     R    56_A     R    56_A      5    8   33      3    3    4    7    8    8   10   16   18   21   22   24   31   31   32   34   36   37   40   41 
LCS_GDT     L    57_A     L    57_A      3   10   33      3    3    9    9    9   12   13   17   18   21   22   24   31   31   32   34   36   39   43   50 
LCS_GDT     D    58_A     D    58_A      9   10   33      6    9    9    9   10   10   10   12   13   15   19   24   31   31   32   34   36   37   40   43 
LCS_GDT     Y    59_A     Y    59_A      9   10   33      7    9    9    9   10   10   10   11   14   15   21   24   31   31   32   34   37   40   46   51 
LCS_GDT     G    60_A     G    60_A      9   10   33      7    9    9    9   10   10   10   14   17   19   22   25   31   31   32   34   38   42   46   51 
LCS_GDT     R    61_A     R    61_A      9   10   33      7    9    9    9   10   11   13   16   19   21   22   25   31   31   32   34   37   40   46   51 
LCS_GDT     A    62_A     A    62_A      9   10   33      7    9    9    9   11   13   15   18   21   24   27   28   31   31   35   37   39   43   46   51 
LCS_GDT     A    63_A     A    63_A      9   10   33      7    9    9    9   11   13   15   18   21   24   27   28   31   34   39   39   41   44   46   51 
LCS_GDT     E    64_A     E    64_A      9   10   33      7    9    9    9   10   13   15   18   21   24   27   28   31   32   39   39   41   44   46   51 
LCS_GDT     I    65_A     I    65_A      9   10   33      7    9    9    9   10   10   10   11   19   24   25   27   31   31   32   39   41   44   46   51 
LCS_GDT     F    66_A     F    66_A      9   10   33      6    9    9    9   10   11   16   20   23   27   29   32   34   37   39   39   41   44   46   51 
LCS_GDT     R    67_A     R    67_A      6   10   33      3    4    6    9   10   11   16   20   23   27   29   32   34   37   39   39   41   44   46   51 
LCS_GDT     D    68_A     D    68_A      6    7   33      4    6    6    8   11   13   16   20   23   27   29   32   34   37   39   39   41   44   46   50 
LCS_GDT     A    69_A     A    69_A      6    7   33      4    6    6    7   11   14   18   20   23   27   29   32   34   37   39   39   41   44   46   50 
LCS_GDT     L    70_A     L    70_A      6    7   33      4    6    6    7   10   12   18   20   22   24   27   28   34   37   39   39   41   44   46   48 
LCS_GDT     A    71_A     A    71_A      6    7   33      4    6    6    7    7    8    8   10   16   27   29   30   34   37   39   39   41   44   46   48 
LCS_GDT     R    72_A     R    72_A      6   17   33      4    6    6    7    8   12   17   20   23   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     D    73_A     D    73_A     16   19   33      4   11   14   16   17   18   19   20   22   24   27   28   32   37   39   39   41   43   46   48 
LCS_GDT     I    74_A     I    74_A     16   19   33      6   12   15   16   18   18   19   20   22   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     T    75_A     T    75_A     16   19   33      6   12   15   16   18   18   19   20   22   25   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     T    76_A     T    76_A     16   19   33      8   12   15   16   18   18   19   20   23   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     P    77_A     P    77_A     16   19   33      8   12   15   16   18   18   19   20   23   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     E    78_A     E    78_A     16   19   33      8   12   15   16   18   18   19   20   23   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     A    79_A     A    79_A     16   19   33      8   12   15   16   18   18   19   20   23   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     F    80_A     F    80_A     16   19   33      8   12   15   16   18   18   19   20   23   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     N    81_A     N    81_A     16   19   33      8   12   15   16   18   18   19   20   23   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     A    82_A     A    82_A     16   19   33      8   12   15   16   18   18   19   20   23   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     Y    83_A     Y    83_A     16   19   33      7   12   15   16   18   18   19   20   23   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     L    84_A     L    84_A     16   19   33      7   12   15   16   18   18   19   20   23   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     E    85_A     E    85_A     16   19   33      8   12   15   16   18   18   19   20   22   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     A    86_A     A    86_A     16   19   33      6   11   15   16   18   18   19   20   22   24   27   30   34   37   39   39   41   43   45   48 
LCS_GDT     L    87_A     L    87_A     16   19   33      4   11   15   16   18   18   19   20   23   27   29   32   34   37   39   39   41   44   46   48 
LCS_GDT     G    88_A     G    88_A     16   19   33      4   11   15   16   18   18   19   20   23   27   29   32   34   37   39   39   41   44   46   50 
LCS_GDT     P    89_A     P    89_A     15   19   33      4    7   14   16   18   18   19   20   23   27   29   32   34   37   39   39   41   44   46   51 
LCS_GDT     D    90_A     D    90_A     15   19   33      3    6   14   16   18   18   19   20   22   27   29   32   34   37   39   39   41   44   46   51 
LCS_GDT     A    91_A     A    91_A      9   19   33      3    4    9   12   18   18   19   20   23   27   29   32   34   37   39   39   41   44   46   51 
LCS_GDT     V    92_A     V    92_A      9   19   32      6    7    9   10   12   16   18   19   20   21   25   30   32   33   35   37   41   44   46   51 
LCS_GDT     R    93_A     R    93_A      9   10   31      6    7    9   10   12   15   18   19   20   21   25   30   32   33   35   37   40   43   46   51 
LCS_GDT     T    94_A     T    94_A      9   10   29      5    7    9   10   12   13   18   19   20   21   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     V    95_A     V    95_A      9   10   28      6    7    9   10   12   13   18   19   20   21   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     Q    96_A     Q    96_A      9   10   27      6    7    9   10   12   13   15   18   20   21   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     D    97_A     D    97_A      9   10   27      6    7    9   10   12   13   13   15   19   21   21   30   32   33   35   37   40   42   46   51 
LCS_GDT     L    98_A     L    98_A      9   10   27      6    7    9   10   12   13   13   15   19   21   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     T    99_A     T    99_A      9   10   27      8    9    9    9    9   10   13   15   18   21   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     R   100_A     R   100_A      9   10   27      8    9    9    9   12   13   15   16   18   21   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     R   101_A     R   101_A      9   10   27      8    9    9    9   11   12   15   17   21   22   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     F   102_A     F   102_A      9   10   27      8    9    9   13   14   15   16   18   21   22   24   30   32   33   35   37   40   41   46   51 
LCS_GDT     V   103_A     V   103_A      9   10   26      8    9    9    9    9    9   11   13   17   20   24   28   32   33   35   37   40   42   46   51 
LCS_GDT     D   104_A     D   104_A      9   10   26      8    9    9    9   14   15   16   18   21   22   24   30   32   33   35   37   40   42   46   51 
LCS_GDT     V   105_A     V   105_A      9   10   26      8    9    9    9    9   14   16   18   18   22   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     I   106_A     I   106_A      9   10   26      8    9    9    9    9    9   10   14   15   18   20   21   22   23   26   31   34   36   41   49 
LCS_GDT     R   107_A     R   107_A      9   10   26      7    9    9    9    9   10   13   14   15   18   20   21   22   27   31   32   36   41   46   51 
LCS_GDT     A   108_A     A   108_A      3   13   26      3    3    3    5    8   13   16   18   18   22   24   26   28   29   31   35   38   42   46   51 
LCS_GDT     D   109_A     D   109_A     12   13   26     11   11   12   13   14   15   16   18   21   22   24   26   28   31   35   37   40   42   46   51 
LCS_GDT     P   110_A     P   110_A     12   13   26     11   11   12   13   14   15   16   18   21   22   24   26   28   31   35   37   40   42   46   51 
LCS_GDT     E   111_A     E   111_A     12   13   26     11   11   12   13   14   15   16   18   21   22   24   26   28   29   31   35   37   41   46   51 
LCS_GDT     A   112_A     A   112_A     12   13   26     11   11   12   13   14   15   16   18   21   22   24   26   28   29   31   35   37   41   46   51 
LCS_GDT     I   113_A     I   113_A     12   13   26     11   11   12   13   14   15   16   18   21   22   24   26   28   29   31   35   37   41   46   51 
LCS_GDT     A   114_A     A   114_A     12   13   26     11   11   12   13   14   15   16   18   21   22   24   26   28   29   31   35   37   41   46   51 
LCS_GDT     K   115_A     K   115_A     12   13   26     11   11   12   13   14   15   16   18   21   22   24   26   28   29   31   35   37   38   41   44 
LCS_GDT     L   116_A     L   116_A     12   13   26     11   11   12   13   14   15   16   18   21   22   24   26   28   29   31   35   37   38   41   44 
LCS_GDT     L   117_A     L   117_A     12   13   26     11   11   12   13   14   15   16   18   21   22   24   26   28   29   31   35   37   37   39   44 
LCS_GDT     N   118_A     N   118_A     12   13   26     11   11   12   13   14   15   16   18   21   22   24   26   28   29   31   35   37   37   39   44 
LCS_GDT     I   119_A     I   119_A     12   13   26     11   11   12   13   14   15   16   18   21   22   24   26   28   29   31   35   37   41   43   45 
LCS_GDT     S   120_A     S   120_A     12   13   26      7    7   12   13   14   15   16   18   21   22   24   26   28   29   31   35   37   41   46   51 
LCS_GDT     K   121_A     K   121_A      8    9   26      7    7    7    8    9   11   13   15   16   19   19   21   25   27   30   34   37   41   43   46 
LCS_GDT     E   122_A     E   122_A      8    9   26      7    7    7    8    8   12   13   15   17   19   22   26   28   29   30   35   37   41   46   51 
LCS_GDT     D   123_A     D   123_A      8    9   26      7    7    7   13   14   15   16   18   21   22   24   26   28   31   35   37   40   42   46   51 
LCS_GDT     V   124_A     V   124_A      8    9   26      7    7    7    8    8   10   12   15   18   19   21   22   25   27   35   37   40   42   46   51 
LCS_GDT     Q   125_A     Q   125_A      8    9   26      7    7    7    8    8   10   11   14   15   17   20   22   25   27   31   35   37   41   46   51 
LCS_GDT     G   126_A     G   126_A      8    9   26      7    7    7   10   13   15   15   17   21   22   24   30   32   33   35   37   40   42   46   51 
LCS_GDT     L   127_A     L   127_A      8   12   25      3    4    5    8   11   12   15   16   18   21   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     A   128_A     A   128_A     11   12   25     11   11   11   11   13   15   15   17   21   22   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     R   129_A     R   129_A     11   12   25     11   11   11   11   11   11   13   15   21   22   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     A   130_A     A   130_A     11   12   25     11   11   11   11   11   11   16   18   21   22   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     G   131_A     G   131_A     11   12   25     11   11   11   11   11   11   15   17   21   22   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     E   132_A     E   132_A     11   12   25     11   11   11   11   11   12   15   16   18   21   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     A   133_A     A   133_A     11   12   17     11   11   11   11   11   11   13   16   18   21   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     A   134_A     A   134_A     11   12   17     11   11   11   11   11   11   11   12   16   19   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     I   135_A     I   135_A     11   12   17     11   11   11   11   11   11   11   12   13   17   21   30   32   33   35   37   40   42   46   50 
LCS_GDT     E   136_A     E   136_A     11   12   17     11   11   11   11   11   12   15   16   18   21   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     R   137_A     R   137_A     11   12   17     11   11   11   11   11   11   13   15   18   21   25   30   32   33   35   37   40   42   46   51 
LCS_GDT     G   138_A     G   138_A     11   12   17     11   11   11   11   11   11   11   12   13   17   21   28   30   33   35   37   40   42   46   50 
LCS_GDT     E   139_A     E   139_A      3   12   17      3    3    3    3    4    6    8   12   12   15   21   22   27   27   31   37   39   41   44   49 
LCS_AVERAGE  LCS_A:  11.37  (   6.46    8.95   18.69 )

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     12     15     19     20     21     22     23     25     27     29     32     34     37     39     39     41     44     46     51 
GDT PERCENT_AT   7.01   7.64   9.55  12.10  12.74  13.38  14.01  14.65  15.92  17.20  18.47  20.38  21.66  23.57  24.84  24.84  26.11  28.03  29.30  32.48
GDT RMS_LOCAL    0.25   0.45   0.77   1.32   1.49   1.83   2.02   2.12   2.52   3.05   3.68   6.89   4.16   4.43   4.69   4.69   5.03   5.70   5.96   7.45
GDT RMS_ALL_AT  27.41  31.02  27.49  30.51  30.11  29.57  29.13  29.13  28.76  27.86  26.74  26.84  26.86  26.92  26.94  26.94  26.75  26.65  26.09  19.80

# Checking swapping
#   possible swapping detected:  F    14_A      F    14_A
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  D    47_A      D    47_A
#   possible swapping detected:  E    51_A      E    51_A
#   possible swapping detected:  D    58_A      D    58_A
#   possible swapping detected:  Y    59_A      Y    59_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  E    78_A      E    78_A
#   possible swapping detected:  Y    83_A      Y    83_A
#   possible swapping detected:  D    90_A      D    90_A
#   possible swapping detected:  D   104_A      D   104_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  D   123_A      D   123_A
#   possible swapping detected:  E   132_A      E   132_A
#   possible swapping detected:  E   136_A      E   136_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L    10_A      L    10_A     2.770     0    0.429   1.368     8.760   64.881   41.548
LGA    Q    11_A      Q    11_A     1.975     0    0.035   1.225     5.604   75.119   57.196
LGA    A    12_A      A    12_A     0.445     0    0.048   0.060     1.158   95.357   94.381
LGA    F    13_A      F    13_A     1.255     0    0.022   1.306     8.168   83.690   49.394
LGA    F    14_A      F    14_A     0.799     0    0.076   1.359     8.116   92.857   53.810
LGA    E    15_A      E    15_A     0.965     0    0.054   1.170     4.582   86.190   72.804
LGA    V    16_A      V    16_A     1.960     0    0.113   1.156     4.739   75.000   67.143
LGA    H    17_A      H    17_A     1.492     0    0.037   1.039     5.672   79.286   59.048
LGA    T    18_A      T    18_A     0.729     0    0.034   1.196     3.634   85.952   78.571
LGA    R    19_A      R    19_A     2.165     0    0.091   1.161     3.841   64.881   62.511
LGA    L    20_A      L    20_A     2.596     0    0.117   1.421     6.314   62.976   55.238
LGA    V    21_A      V    21_A     0.725     0    0.020   0.210     1.456   92.857   87.959
LGA    H    22_A      H    22_A     1.309     0    0.083   1.289     7.498   79.524   50.619
LGA    R    23_A      R    23_A     1.112     0    0.212   1.742    12.316   83.690   43.983
LGA    L    24_A      L    24_A     2.019     0    0.602   0.590     4.047   63.571   56.071
LGA    A    25_A      A    25_A     4.189     0    0.634   0.583     6.648   58.929   49.810
LGA    G    26_A      G    26_A     3.483     0    0.223   0.223     3.860   50.119   50.119
LGA    I    27_A      I    27_A     2.308     0    0.119   1.162     5.037   77.381   60.000
LGA    E    28_A      E    28_A     2.070     0    0.102   0.900     4.114   64.881   57.725
LGA    P    29_A      P    29_A     1.515     0    0.595   0.701     3.850   67.619   74.830
LGA    D    30_A      D    30_A     1.306     0    0.622   0.983     6.855   77.143   52.202
LGA    P    31_A      P    31_A     6.012     0    0.074   0.142     8.380   23.810   21.020
LGA    R    32_A      R    32_A     6.646     0    0.095   0.896    16.345   23.095    8.874
LGA    F    33_A      F    33_A     1.312     0    0.014   1.401     9.352   68.929   36.450
LGA    E    34_A      E    34_A     6.689     0    0.044   1.088    13.900   16.310    7.566
LGA    I    35_A      I    35_A     8.867     0    0.051   0.071    12.716    5.714    2.857
LGA    L    36_A      L    36_A     4.269     0    0.018   1.409     8.120   39.167   30.417
LGA    D    37_A      D    37_A     5.088     0    0.156   0.776     9.196   22.738   15.774
LGA    K    38_A      K    38_A    10.810     0    0.235   0.801    16.609    1.190    0.529
LGA    Y    39_A      Y    39_A     9.389     0    0.391   1.395    11.455    0.714   12.262
LGA    I    40_A      I    40_A    10.449     0    0.596   0.789    12.040    0.357    0.952
LGA    F    41_A      F    41_A    13.751     0    0.547   1.506    18.103    0.000    0.000
LGA    R    42_A      R    42_A    20.397     0    0.176   0.825    23.142    0.000    0.000
LGA    Q    43_A      Q    43_A    19.775     0    0.069   0.313    22.706    0.000    0.000
LGA    I    44_A      I    44_A    19.499     0    0.087   0.646    23.939    0.000    0.000
LGA    V    45_A      V    45_A    25.873     0    0.038   0.303    30.055    0.000    0.000
LGA    A    46_A      A    46_A    29.203     0    0.081   0.074    31.317    0.000    0.000
LGA    D    47_A      D    47_A    27.375     0    0.328   1.164    30.221    0.000    0.000
LGA    N    48_A      N    48_A    29.620     0    0.304   0.565    30.910    0.000    0.000
LGA    P    49_A      P    49_A    34.318     0    0.517   0.460    36.802    0.000    0.000
LGA    E    50_A      E    50_A    35.318     0    0.723   1.338    35.772    0.000    0.000
LGA    E    51_A      E    51_A    30.440     0    0.283   1.210    32.131    0.000    0.000
LGA    R    52_A      R    52_A    29.165     0    0.079   1.095    31.269    0.000    0.000
LGA    E    53_A      E    53_A    34.571     0    0.201   1.492    40.015    0.000    0.000
LGA    K    54_A      K    54_A    32.664     0    0.167   1.406    33.127    0.000    0.000
LGA    I    55_A      I    55_A    26.910     0    0.638   0.640    28.863    0.000    0.000
LGA    R    56_A      R    56_A    29.486     0    0.548   1.134    33.087    0.000    0.000
LGA    L    57_A      L    57_A    31.454     0    0.640   0.555    32.359    0.000    0.000
LGA    D    58_A      D    58_A    31.561     0    0.536   1.329    33.416    0.000    0.000
LGA    Y    59_A      Y    59_A    30.472     0    0.038   1.035    32.579    0.000    0.000
LGA    G    60_A      G    60_A    30.606     0    0.010   0.010    30.878    0.000    0.000
LGA    R    61_A      R    61_A    27.011     0    0.016   1.719    30.448    0.000    0.000
LGA    A    62_A      A    62_A    24.457     0    0.042   0.066    25.620    0.000    0.000
LGA    A    63_A      A    63_A    25.824     0    0.036   0.039    27.752    0.000    0.000
LGA    E    64_A      E    64_A    23.490     0    0.126   1.230    28.438    0.000    0.000
LGA    I    65_A      I    65_A    19.517     0    0.010   0.070    21.219    0.000    0.000
LGA    F    66_A      F    66_A    19.933     0    0.575   1.250    21.452    0.000    0.000
LGA    R    67_A      R    67_A    25.574     0    0.548   1.400    31.461    0.000    0.000
LGA    D    68_A      D    68_A    27.468     0    0.143   1.056    28.986    0.000    0.000
LGA    A    69_A      A    69_A    25.621     0    0.034   0.037    26.965    0.000    0.000
LGA    L    70_A      L    70_A    28.973     0    0.055   0.175    30.753    0.000    0.000
LGA    A    71_A      A    71_A    31.459     0    0.054   0.055    32.549    0.000    0.000
LGA    R    72_A      R    72_A    30.675     0    0.234   1.071    31.018    0.000    0.000
LGA    D    73_A      D    73_A    30.736     0    0.424   1.350    30.834    0.000    0.000
LGA    I    74_A      I    74_A    28.912     0    0.646   0.698    30.245    0.000    0.000
LGA    T    75_A      T    75_A    25.674     0    0.279   1.063    28.145    0.000    0.000
LGA    T    76_A      T    76_A    24.108     0    0.159   1.099    27.485    0.000    0.000
LGA    P    77_A      P    77_A    21.132     0    0.037   0.113    22.317    0.000    0.000
LGA    E    78_A      E    78_A    24.761     0    0.030   1.217    30.677    0.000    0.000
LGA    A    79_A      A    79_A    28.085     0    0.023   0.024    28.968    0.000    0.000
LGA    F    80_A      F    80_A    25.048     0    0.085   1.396    25.706    0.000    0.000
LGA    N    81_A      N    81_A    23.328     0    0.043   0.846    25.200    0.000    0.000
LGA    A    82_A      A    82_A    28.733     0    0.026   0.026    30.450    0.000    0.000
LGA    Y    83_A      Y    83_A    30.216     0    0.119   1.499    39.013    0.000    0.000
LGA    L    84_A      L    84_A    25.988     0    0.039   1.357    27.120    0.000    0.000
LGA    E    85_A      E    85_A    26.572     0    0.048   0.355    28.978    0.000    0.000
LGA    A    86_A      A    86_A    32.663     0    0.076   0.077    34.724    0.000    0.000
LGA    L    87_A      L    87_A    32.702     0    0.249   1.124    36.753    0.000    0.000
LGA    G    88_A      G    88_A    28.980     0    0.073   0.073    30.004    0.000    0.000
LGA    P    89_A      P    89_A    23.546     0    0.058   0.116    26.454    0.000    0.000
LGA    D    90_A      D    90_A    26.504     0    0.588   1.182    28.724    0.000    0.000
LGA    A    91_A      A    91_A    25.816     0    0.386   0.387    25.843    0.000    0.000
LGA    V    92_A      V    92_A    25.020     0    0.022   1.120    26.739    0.000    0.000
LGA    R    93_A      R    93_A    27.497     0    0.073   1.129    29.911    0.000    0.000
LGA    T    94_A      T    94_A    30.480     0    0.121   0.187    32.476    0.000    0.000
LGA    V    95_A      V    95_A    29.373     0    0.025   0.121    30.533    0.000    0.000
LGA    Q    96_A      Q    96_A    29.305     0    0.046   0.984    31.754    0.000    0.000
LGA    D    97_A      D    97_A    33.056     0    0.147   0.132    35.090    0.000    0.000
LGA    L    98_A      L    98_A    35.100     0    0.549   0.620    36.935    0.000    0.000
LGA    T    99_A      T    99_A    35.319     0    0.590   0.672    35.411    0.000    0.000
LGA    R   100_A      R   100_A    36.994     0    0.031   1.719    39.516    0.000    0.000
LGA    R   101_A      R   101_A    41.092     0    0.015   1.333    51.734    0.000    0.000
LGA    F   102_A      F   102_A    36.541     0    0.064   1.437    38.112    0.000    0.000
LGA    V   103_A      V   103_A    32.412     0    0.031   0.411    33.813    0.000    0.000
LGA    D   104_A      D   104_A    37.304     0    0.084   1.097    40.099    0.000    0.000
LGA    V   105_A      V   105_A    38.372     0    0.137   1.204    42.056    0.000    0.000
LGA    I   106_A      I   106_A    32.234     0    0.088   0.200    34.370    0.000    0.000
LGA    R   107_A      R   107_A    32.268     0    0.231   1.296    33.980    0.000    0.000
LGA    A   108_A      A   108_A    37.259     0    0.650   0.591    40.787    0.000    0.000
LGA    D   109_A      D   109_A    42.029     0    0.379   1.013    45.238    0.000    0.000
LGA    P   110_A      P   110_A    42.077     0    0.025   0.359    42.914    0.000    0.000
LGA    E   111_A      E   111_A    44.660     0    0.025   0.956    47.339    0.000    0.000
LGA    A   112_A      A   112_A    42.961     0    0.033   0.037    43.520    0.000    0.000
LGA    I   113_A      I   113_A    41.004     0    0.018   0.155    41.554    0.000    0.000
LGA    A   114_A      A   114_A    43.011     0    0.032   0.030    44.041    0.000    0.000
LGA    K   115_A      K   115_A    44.465     0    0.027   0.276    48.784    0.000    0.000
LGA    L   116_A      L   116_A    41.861     0    0.022   0.097    42.621    0.000    0.000
LGA    L   117_A      L   117_A    42.035     0    0.012   1.065    43.517    0.000    0.000
LGA    N   118_A      N   118_A    45.209     0    0.159   0.913    46.175    0.000    0.000
LGA    I   119_A      I   119_A    44.730     0    0.686   0.580    47.711    0.000    0.000
LGA    S   120_A      S   120_A    45.318     0    0.572   0.726    46.657    0.000    0.000
LGA    K   121_A      K   121_A    48.991     0    0.013   0.837    53.425    0.000    0.000
LGA    E   122_A      E   122_A    45.711     0    0.025   1.305    47.509    0.000    0.000
LGA    D   123_A      D   123_A    43.794     0    0.109   0.798    45.106    0.000    0.000
LGA    V   124_A      V   124_A    48.372     0    0.041   0.049    51.715    0.000    0.000
LGA    Q   125_A      Q   125_A    48.857     0    0.049   0.133    51.970    0.000    0.000
LGA    G   126_A      G   126_A    44.816     0    0.613   0.613    46.034    0.000    0.000
LGA    L   127_A      L   127_A    44.868     0    0.208   0.189    51.325    0.000    0.000
LGA    A   128_A      A   128_A    43.065     0    0.563   0.543    44.604    0.000    0.000
LGA    R   129_A      R   129_A    35.704     0    0.066   1.597    38.405    0.000    0.000
LGA    A   130_A      A   130_A    34.425     0    0.028   0.026    35.693    0.000    0.000
LGA    G   131_A      G   131_A    39.485     0    0.025   0.025    39.485    0.000    0.000
LGA    E   132_A      E   132_A    36.619     0    0.043   1.103    42.496    0.000    0.000
LGA    A   133_A      A   133_A    29.515     0    0.041   0.040    32.124    0.000    0.000
LGA    A   134_A      A   134_A    32.486     0    0.025   0.025    34.877    0.000    0.000
LGA    I   135_A      I   135_A    35.322     0    0.064   0.127    42.335    0.000    0.000
LGA    E   136_A      E   136_A    29.142     0    0.085   1.095    31.415    0.000    0.000
LGA    R   137_A      R   137_A    25.326     0    0.192   0.774    26.836    0.000    0.000
LGA    G   138_A      G   138_A    30.503     0    0.214   0.214    32.623    0.000    0.000
LGA    E   139_A      E   139_A    33.637     0    0.713   1.094    37.768    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      130     520    520  100.00    1045   1045  100.00               157
SUMMARY(RMSD_GDC):    16.772         16.669                 17.535           11.363    8.991

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  157    4.0     23    2.12    14.809    13.583     1.034

LGA_LOCAL      RMSD:   2.124  Number of atoms:   23  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  29.126  Number of assigned atoms:  130 
Std_ASGN_ATOMS RMSD:  16.772  Standard rmsd on all 130 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.378513 * X  +  -0.208669 * Y  +   0.901768 * Z  +   4.327054
  Y_new =  -0.023304 * X  +   0.976096 * Y  +   0.216087 * Z  +  17.375816
  Z_new =  -0.925302 * X  +   0.060777 * Y  +  -0.374328 * Z  + -48.183628 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.080103  1.181832  2.980634   [DEG: -176.4769   67.7140  170.7778 ]
ZXZ:  1.805987  1.954469 -1.505207   [DEG:  103.4755  111.9828  -86.2420 ]
 
# END of job
