
#######################################################
#                                                     #
#                        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:    75       1_A - 75_A        4.69    22.94
  LONGEST_CONTINUOUS_SEGMENT:    75       2_A - 76_A        4.84    22.81
  LCS_AVERAGE:     45.59

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    43      23_A - 65_A        1.90    22.51
  LONGEST_CONTINUOUS_SEGMENT:    43      24_A - 66_A        1.99    22.51
  LCS_AVERAGE:     17.44

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38      25_A - 62_A        0.99    22.49
  LONGEST_CONTINUOUS_SEGMENT:    38      26_A - 63_A        0.87    22.47
  LCS_AVERAGE:     13.38

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      5    8   75      3    4    5    6   16   20   21   25   26   30   37   40   43   46   50   56   61   67   68   71 
LCS_GDT     F     2_F     F     2_A      5    8   75      3    4    5    7    8   29   35   39   44   51   57   63   68   69   71   73   73   73   73   73 
LCS_GDT     T     3_F     T     3_A      5    8   75      3    4    6    6    8    9   12   12   14   14   25   44   54   66   71   73   73   73   73   73 
LCS_GDT     G     4_F     G     4_A      5    8   75      4    4    5    7   11   18   24   33   38   44   56   61   67   70   71   73   73   73   73   73 
LCS_GDT     W     5_F     W     5_A      5    8   75      4    4    7   13   20   30   36   46   49   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     S     6_F     S     6_A      4    8   75      4    4    6    9   24   30   37   47   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     P     7_F     P     7_A      4   10   75      4    4    6    8    8   12   14   17   27   32   36   64   68   70   71   73   73   73   73   73 
LCS_GDT     F     8_F     F     8_A      4   10   75      3    4    6    8   10   12   15   44   53   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     K     9_F     K     9_A      5   10   75      4    4    6   12   13   15   16   17   20   41   57   65   68   70   71   73   73   73   73   73 
LCS_GDT     Y    10_F     Y    10_A      5   10   75      4    4    6    8   11   38   45   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     S    11_F     S    11_A      5   10   75      4    4    6    8   10   11   12   15   36   53   59   65   68   70   71   73   73   73   73   73 
LCS_GDT     K    12_F     K    12_A      5   10   75      4    4    6    8   10   21   28   30   51   57   60   65   68   70   71   73   73   73   73   73 
LCS_GDT     G    13_F     G    13_A      5   10   75      3    4   13   25   33   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     N    14_F     N    14_A      4   11   75      1    4    7   12   24   30   36   42   49   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     T    15_F     T    15_A      6   11   75      4    6   10   19   25   35   43   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     V    16_F     V    16_A      6   11   75      4    6   10   21   30   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     T    17_F     T    17_A      6   11   75      3    6   10   21   28   39   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     F    18_F     F    18_A      6   11   75      4    6   10   21   30   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     K    19_F     K    19_A      6   11   75      3    5    9   21   27   35   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     T    20_F     T    20_A      6   11   75      3    5   10   21   27   37   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     P    21_F     P    21_A      6   11   75      3    5    9   21   32   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     D    22_F     D    22_A      5   11   75      3    5    6    9   13   35   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     E    23_F     E    23_A      5   43   75      3    5    5    8   12   15   34   50   54   57   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     S    24_F     S    24_A      4   43   75      3    3    6   26   37   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     S    25_F     S    25_A     38   43   75      4    6   12   20   25   38   40   41   49   55   59   65   68   70   71   73   73   73   73   73 
LCS_GDT     I    26_F     I    26_A     38   43   75      4   10   20   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     A    27_F     A    27_A     38   43   75      7   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     Y    28_F     Y    28_A     38   43   75      8   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     M    29_F     M    29_A     38   43   75     11   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     R    30_F     R    30_A     38   43   75      8   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     F    31_F     F    31_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     R    32_F     R    32_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     N    33_F     N    33_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     C    34_F     C    34_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     V    35_F     V    35_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     F    36_F     F    36_A     38   43   75     10   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     T    37_F     T    37_A     38   43   75     19   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     F    38_F     F    38_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     T    39_F     T    39_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     D    40_F     D    40_A     38   43   75     22   34   36   37   39   40   45   50   54   57   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     P    41_F     P    41_A     38   43   75     22   34   36   37   39   40   45   50   54   57   60   65   68   70   71   73   73   73   73   73 
LCS_GDT     K    42_F     K    42_A     38   43   75     22   34   36   37   39   40   45   50   54   57   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     G    43_F     G    43_A     38   43   75     22   34   36   37   39   40   46   50   54   57   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     S    44_F     S    44_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     L    45_F     L    45_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     H    46_F     H    46_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     S    47_F     S    47_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     I    48_F     I    48_A     38   43   75     13   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     D    49_F     D    49_A     38   43   75     17   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     V    50_F     V    50_A     38   43   75     19   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     T    51_F     T    51_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     E    52_F     E    52_A     38   43   75     16   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     V    53_F     V    53_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     L    54_F     L    54_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     N    55_F     N    55_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     N    56_F     N    56_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     M    57_F     M    57_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     A    58_F     A    58_A     38   43   75     21   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     K    59_F     K    59_A     38   43   75     22   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     G    60_F     G    60_A     38   43   75     19   34   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     F    61_F     F    61_A     38   43   75      4   21   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     R    62_F     R    62_A     38   43   75      4   29   36   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     D    63_F     D    63_A     38   43   75      4    7    9   37   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     A    64_F     A    64_A     37   43   75      4    7   12   34   39   40   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     Q    65_F     Q    65_A      8   43   75      4    7    8   17   26   38   46   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     N    66_F     N    66_A      8   43   75      4    7    8   11   16   26   41   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     P    67_F     P    67_A      8   13   75      4    7    8   11   16   26   43   50   54   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     P    68_F     P    68_A      8   13   75      5    7    8   10   14   20   28   38   43   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     S    69_F     S    69_A      8   13   75      5    7    8   11   15   22   32   39   47   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     S    70_F     S    70_A      8   13   75      5    6    7   11   15   24   32   39   47   56   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     F    71_F     F    71_A      7   12   75      5    6    7    8   12   22   32   39   47   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     T    72_F     T    72_A      7   12   75      5    6    7    8   12   22   32   39   47   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     L    73_F     L    73_A      7   12   75      3    6    7    8   12   16   30   39   47   58   63   65   68   70   71   73   73   73   73   73 
LCS_GDT     G    74_F     G    74_A      7   10   75      3    5    7    7   12   16   20   32   43   51   59   65   68   70   71   73   73   73   73   73 
LCS_GDT     G    75_F     G    75_A      4    8   75      3    4    4    7    8    8    9   11   16   19   29   39   48   53   57   64   70   71   72   73 
LCS_GDT     H    76_F     H    76_A      4    8   75      3    4    4    7    8    8    9   13   16   20   27   32   41   45   50   55   57   59   61   65 
LCS_GDT     C    77_F     C    77_A      4    6   74      3    4    4    6    8   10   13   18   20   27   32   37   42   48   50   55   57   60   64   70 
LCS_GDT     Q    78_F     Q    78_A      4    6   67      4    4    5    6    7    8   11   18   20   20   27   32   40   44   50   53   56   59   61   65 
LCS_GDT     A    79_F     A    79_A      4    6   20      4    4    5    6    8   10   13   18   20   21   29   34   41   45   50   55   57   60   64   67 
LCS_GDT     P    80_F     P    80_A      4    6   20      4    4    5    6    8   13   16   18   20   21   29   35   41   46   50   55   57   60   64   67 
LCS_GDT     L    81_F     L    81_A      4    6   20      4    4    5    6    8   10   16   17   19   21   29   34   41   45   50   55   57   60   65   70 
LCS_GDT     N    82_F     N    82_A      4    6   20      3    3    5    6    8   15   16   17   19   21   25   28   36   41   45   48   53   55   58   60 
LCS_GDT     A    83_F     A    83_A      4    6   20      3    3    4    4    6    8   11   14   16   21   25   32   37   42   46   50   53   57   63   69 
LCS_GDT     F    84_F     F    84_A      4    6   20      3    3    5    6    8   10   11   15   19   21   25   27   28   32   35   38   45   47   52   58 
LCS_GDT     S    85_F     S    85_A     10   12   29      3   10   11   12   13   15   16   17   19   20   23   27   28   32   35   38   45   47   52   55 
LCS_GDT     F    86_F     F    86_A     10   12   30      8   10   11   12   13   15   16   17   19   21   25   27   28   32   35   38   43   47   51   58 
LCS_GDT     V    87_F     V    87_A     10   12   30      8   10   11   12   13   15   16   17   19   23   25   26   28   29   31   34   37   41   42   45 
LCS_GDT     L    88_F     L    88_A     10   12   30      8   10   11   12   13   15   16   17   19   23   25   26   28   29   31   34   36   41   42   44 
LCS_GDT     P    89_F     P    89_A     10   12   30      8   10   11   12   13   15   16   17   19   23   25   26   28   29   31   34   36   41   42   44 
LCS_GDT     G    90_F     G    90_A     10   12   30      8   10   11   12   13   15   16   17   19   20   21   23   28   29   31   34   36   39   42   44 
LCS_GDT     V    91_F     V    91_A     10   12   30      8   10   11   12   13   15   16   17   19   23   24   26   28   29   31   34   36   39   42   44 
LCS_GDT     N    92_F     N    92_A     10   12   30      8   10   11   12   14   15   17   17   19   23   25   26   28   29   31   34   36   41   42   44 
LCS_GDT     D    93_F     D    93_A     10   12   30      8   10   11   12   13   15   17   17   19   23   25   26   28   29   31   34   36   41   42   44 
LCS_GDT     R    94_F     R    94_A     10   12   30      3   10   11   12   13   15   16   17   19   23   25   26   28   29   31   34   36   41   42   44 
LCS_GDT     A    95_F     A    95_A      4   12   30      3    4    6   10   11   15   17   17   19   23   25   26   28   29   31   34   36   41   42   44 
LCS_GDT     T    96_F     T    96_A      4   15   30      3    4    5    8   10   15   17   17   19   23   25   26   28   29   31   33   35   39   40   44 
LCS_GDT     V    97_F     V    97_A      3   15   30      3    3    3    7    9   10   12   17   19   23   25   26   28   29   31   31   33   34   37   41 
LCS_GDT     A    98_F     A    98_A     12   15   30      3    8   12   13   14   15   17   17   19   23   25   26   28   29   31   31   32   34   35   38 
LCS_GDT     T    99_F     T    99_A     12   15   30      5   10   12   13   14   15   17   17   19   23   25   26   28   29   31   31   32   32   34   36 
LCS_GDT     A   100_F     A   100_A     12   15   30      5   10   12   13   14   15   17   17   19   23   25   26   28   29   31   31   32   32   34   36 
LCS_GDT     D   101_F     D   101_A     12   15   30      5   10   12   13   14   15   17   17   19   23   25   26   28   29   31   31   32   32   34   36 
LCS_GDT     E   102_F     E   102_A     12   15   30      5   10   12   13   14   15   17   17   19   23   25   26   28   29   31   31   32   32   34   36 
LCS_GDT     A   103_F     A   103_A     12   15   30      5   10   12   13   14   15   17   17   19   23   25   26   28   29   31   31   32   32   34   36 
LCS_GDT     K   104_F     K   104_A     12   15   30      4   10   12   13   14   15   17   17   19   23   25   26   28   29   31   31   32   32   34   36 
LCS_GDT     K   105_F     K   105_A     12   15   30      4   10   12   13   14   15   17   17   19   23   25   26   28   29   31   31   32   32   34   36 
LCS_GDT     W   106_F     W   106_A     12   15   30      4   10   12   13   14   15   17   17   19   23   25   26   28   29   31   31   32   32   34   36 
LCS_GDT     E   107_F     E   107_A     12   15   30      4   10   12   13   14   15   17   17   19   23   25   26   28   29   31   31   32   32   34   36 
LCS_GDT     N   108_F     N   108_A     12   15   30      4    6   12   13   14   15   17   17   19   23   25   26   28   29   31   31   32   32   34   36 
LCS_GDT     C   109_F     C   109_A     12   15   30      4   10   12   13   14   15   17   17   19   23   25   26   28   29   31   31   32   32   34   36 
LCS_GDT     D   110_F     D   110_A      3   15   30      3    3    3   13   14   15   17   17   19   23   25   26   28   29   31   31   32   32   34   35 
LCS_GDT     A   111_F     A   111_A      3   14   30      0    3    3    6    7   10   13   16   19   23   25   26   28   29   31   31   32   32   34   35 
LCS_GDT     T   112_F     T   112_A      3    3   30      1    3    3    3    6    8   12   16   19   23   25   26   28   29   31   31   32   32   34   35 
LCS_GDT     L   113_F     L   113_A      3    3   30      0    3    3    7    7   10   11   16   19   23   25   26   28   29   31   31   32   32   34   36 
LCS_GDT     T   114_F     T   114_A      3    3   30      0    3    4    4    9   10   11   12   13   14   24   26   28   29   31   31   32   32   34   35 
LCS_GDT     G   115_F     G   115_A      3    3   30      0    3    4    4    9   10   11   12   13   14   17   19   27   29   31   31   32   41   42   44 
LCS_GDT     L   116_F     L   116_A      3    3   30      0    3    4    4    4   10   11   12   13   21   25   27   28   31   35   38   41   47   54   60 
LCS_GDT     Q   117_F     Q   117_A      3    3   27      0    3    3    4    8   10   10   12   13   14   16   17   24   29   31   31   38   43   45   59 
LCS_GDT     R   118_F     R   118_A      3    3    9      0    3    3    5    8   10   10   10   12   14   16   17   18   22   27   29   32   36   41   57 
LCS_GDT     I   119_F     I   119_A      3    3    9      3    3    3    5    8   10   10   10   12   14   16   17   18   18   23   28   35   45   55   65 
LCS_GDT     I   120_F     I   120_A      3    3    9      3    3    3    3    5    6    6    7    9   10   13   16   18   18   32   36   42   50   55   56 
LCS_GDT     H   121_F     H   121_A      3    3    9      3    3    3    3    5    6    6    7    9   10   13   13   15   17   17   36   42   50   55   56 
LCS_GDT     H   122_F     H   122_A      3    3    9      0    3    3    3    5    6    6    7    9   10   12   12   13   14   17   18   19   21   27   29 
LCS_GDT     H   123_F     H   123_A      3    3    9      0    3    3    3    3    3    4    5    6    7    9    9    9   12   13   14   19   21   27   29 
LCS_GDT     H   124_F     H   124_A      3    3    9      0    3    3    3    3    3    4    5    6    7    9    9    9   11   13   14   15   17   19   22 
LCS_AVERAGE  LCS_A:  25.47  (  13.38   17.44   45.59 )

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     22     34     36     37     39     40     46     50     54     58     63     65     68     70     71     73     73     73     73     73 
GDT PERCENT_AT  17.74  27.42  29.03  29.84  31.45  32.26  37.10  40.32  43.55  46.77  50.81  52.42  54.84  56.45  57.26  58.87  58.87  58.87  58.87  58.87
GDT RMS_LOCAL    0.30   0.56   0.68   0.78   1.06   1.26   2.34   2.45   2.76   3.38   3.53   3.61   3.80   3.93   4.01   4.26   4.26   4.26   4.26   4.26
GDT RMS_ALL_AT  22.41  22.43  22.45  22.47  22.48  22.47  22.52  22.52  22.59  22.64  22.70  22.72  22.69  22.69  22.76  22.81  22.81  22.81  22.81  22.81

# Checking swapping
#   possible swapping detected:  F     2_F      F     2_A
#   possible swapping detected:  E    23_F      E    23_A
#   possible swapping detected:  Y    28_F      Y    28_A
#   possible swapping detected:  F    71_F      F    71_A
#   possible swapping detected:  D   101_F      D   101_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    12.131     0    0.061   1.036    19.872    0.000    0.000
LGA    F     2_F      F     2_A     6.773     0    0.165   1.352     8.617    6.429   41.948
LGA    T     3_F      T     3_A    11.165     0    0.640   1.038    14.447    0.357    0.204
LGA    G     4_F      G     4_A    11.336     0    0.659   0.659    11.336    0.000    0.000
LGA    W     5_F      W     5_A     8.139     0    0.071   1.182    13.787    9.524    4.422
LGA    S     6_F      S     6_A     6.517     0    0.064   0.185     7.449   14.286   12.857
LGA    P     7_F      P     7_A     8.184     0    0.621   0.584    10.029    6.190    4.626
LGA    F     8_F      F     8_A     6.149     0    0.182   1.278     6.936   14.286   33.593
LGA    K     9_F      K     9_A     7.781     0    0.090   0.405    17.682   11.905    5.291
LGA    Y    10_F      Y    10_A     3.877     0    0.166   1.122    11.857   24.524   19.127
LGA    S    11_F      S    11_A     6.655     0    0.203   0.261     8.760   30.238   21.111
LGA    K    12_F      K    12_A     4.553     0    0.115   0.583    10.327   31.905   19.577
LGA    G    13_F      G    13_A     2.707     0    0.708   0.708     4.703   47.619   47.619
LGA    N    14_F      N    14_A     8.037     0    0.451   0.412    13.976   12.143    6.071
LGA    T    15_F      T    15_A     5.659     0    0.013   0.353     6.409   22.738   20.340
LGA    V    16_F      V    16_A     3.590     0    0.043   0.087     4.233   46.905   51.361
LGA    T    17_F      T    17_A     3.829     0    0.026   0.377     5.137   43.333   39.116
LGA    F    18_F      F    18_A     3.460     0    0.021   0.284     4.190   43.452   48.918
LGA    K    19_F      K    19_A     4.319     0    0.192   0.836     4.720   37.143   36.561
LGA    T    20_F      T    20_A     4.180     0    0.048   0.073     4.960   41.905   39.048
LGA    P    21_F      P    21_A     3.036     0    0.028   0.050     4.100   50.119   48.299
LGA    D    22_F      D    22_A     4.584     0    0.548   1.238     6.865   28.571   36.845
LGA    E    23_F      E    23_A     5.197     0    0.318   0.416     8.648   26.548   17.513
LGA    S    24_F      S    24_A     2.607     0    0.606   0.569     4.215   50.357   59.286
LGA    S    25_F      S    25_A     5.374     0    0.623   0.874     8.599   34.524   24.683
LGA    I    26_F      I    26_A     3.412     0    0.117   0.935     4.065   50.357   50.238
LGA    A    27_F      A    27_A     2.124     0    0.048   0.066     2.567   66.905   64.952
LGA    Y    28_F      Y    28_A     2.182     0    0.030   0.348     2.630   62.857   68.492
LGA    M    29_F      M    29_A     2.855     0    0.038   0.622     3.354   59.048   54.524
LGA    R    30_F      R    30_A     2.792     0    0.203   1.380     8.514   52.143   39.870
LGA    F    31_F      F    31_A     1.908     0    0.064   0.060     2.158   68.810   70.693
LGA    R    32_F      R    32_A     2.486     0    0.009   0.990     7.663   62.857   42.208
LGA    N    33_F      N    33_A     2.425     0    0.018   0.111     3.670   64.762   57.440
LGA    C    34_F      C    34_A     1.633     0    0.136   0.175     1.795   77.143   75.714
LGA    V    35_F      V    35_A     1.510     0    0.063   0.062     2.420   72.976   70.612
LGA    F    36_F      F    36_A     1.571     0    0.024   1.106     8.088   79.286   46.407
LGA    T    37_F      T    37_A     1.455     0    0.042   0.946     3.071   75.000   70.884
LGA    F    38_F      F    38_A     1.716     0    0.050   0.076     1.838   75.000   75.974
LGA    T    39_F      T    39_A     2.197     0    0.149   1.001     4.063   62.857   62.313
LGA    D    40_F      D    40_A     2.557     0    0.042   0.082     2.814   59.048   61.905
LGA    P    41_F      P    41_A     3.307     0    0.034   0.151     4.099   50.000   47.211
LGA    K    42_F      K    42_A     2.568     0    0.052   0.342     4.274   62.976   53.651
LGA    G    43_F      G    43_A     1.819     0    0.014   0.014     2.095   72.976   72.976
LGA    S    44_F      S    44_A     1.592     0    0.064   0.090     1.912   72.857   72.857
LGA    L    45_F      L    45_A     1.341     0    0.098   1.118     3.037   81.429   75.417
LGA    H    46_F      H    46_A     0.992     0    0.052   0.102     1.583   85.952   81.524
LGA    S    47_F      S    47_A     0.809     0    0.069   0.658     1.388   85.952   85.952
LGA    I    48_F      I    48_A     1.628     0    0.035   0.116     3.534   81.548   69.524
LGA    D    49_F      D    49_A     1.504     0    0.028   0.208     1.951   75.000   73.929
LGA    V    50_F      V    50_A     1.122     0    0.054   0.054     1.784   83.690   81.497
LGA    T    51_F      T    51_A     1.369     0    0.017   0.041     2.132   79.286   75.374
LGA    E    52_F      E    52_A     1.509     0    0.070   1.106     7.378   81.548   53.862
LGA    V    53_F      V    53_A     1.267     0    0.041   0.058     1.896   81.429   77.755
LGA    L    54_F      L    54_A     1.314     0    0.017   0.079     1.781   79.286   77.143
LGA    N    55_F      N    55_A     1.339     0    0.016   0.089     1.991   81.429   78.214
LGA    N    56_F      N    56_A     0.962     0    0.037   0.092     1.720   83.690   80.417
LGA    M    57_F      M    57_A     1.475     0    0.046   1.048     6.207   77.143   61.726
LGA    A    58_F      A    58_A     1.725     0    0.018   0.016     1.920   75.000   74.571
LGA    K    59_F      K    59_A     0.939     0    0.107   0.829     7.555   81.548   59.365
LGA    G    60_F      G    60_A     1.842     0    0.212   0.212     2.889   69.048   69.048
LGA    F    61_F      F    61_A     2.741     0    0.146   0.282     4.644   59.048   51.775
LGA    R    62_F      R    62_A     2.244     0    0.140   0.931     4.398   66.905   52.727
LGA    D    63_F      D    63_A     1.901     0    0.076   0.268     3.075   72.857   64.107
LGA    A    64_F      A    64_A     1.959     0    0.060   0.057     3.465   63.214   62.000
LGA    Q    65_F      Q    65_A     3.900     0    0.127   0.270     5.877   38.333   41.164
LGA    N    66_F      N    66_A     6.138     0    0.059   0.713     8.400   20.714   15.119
LGA    P    67_F      P    67_A     5.622     0    0.056   0.058     7.713   15.833   18.912
LGA    P    68_F      P    68_A     8.204     0    0.213   0.252     8.378    6.071    8.027
LGA    S    69_F      S    69_A     8.496     0    0.093   0.166     9.600    4.286    3.175
LGA    S    70_F      S    70_A     8.414     0    0.088   0.175     8.920    4.286    3.810
LGA    F    71_F      F    71_A     7.979     0    0.045   0.148     8.009    6.548   10.346
LGA    T    72_F      T    72_A     8.292     0    0.076   0.158     9.646    5.357    3.537
LGA    L    73_F      L    73_A     7.253     0    0.103   0.439     8.144    7.976   13.452
LGA    G    74_F      G    74_A     8.922     0    0.602   0.602     9.701    2.143    2.143
LGA    G    75_F      G    75_A    12.520     0    0.049   0.049    13.459    0.000    0.000
LGA    H    76_F      H    76_A    16.948     0    0.549   1.095    18.866    0.000    0.000
LGA    C    77_F      C    77_A    15.226     0    0.635   0.823    15.565    0.000    0.000
LGA    Q    78_F      Q    78_A    17.010     0    0.301   1.247    23.405    0.000    0.000
LGA    A    79_F      A    79_A    15.436     0    0.164   0.204    15.436    0.000    0.000
LGA    P    80_F      P    80_A    15.654     0    0.107   0.314    18.367    0.000    0.000
LGA    L    81_F      L    81_A    14.408     0    0.675   0.763    17.096    0.000    0.000
LGA    N    82_F      N    82_A    18.578     0    0.703   1.264    23.222    0.000    0.000
LGA    A    83_F      A    83_A    16.291     0    0.047   0.043    17.115    0.000    0.000
LGA    F    84_F      F    84_A    19.318     0    0.511   0.453    21.100    0.000    0.000
LGA    S    85_F      S    85_A    19.541     0    0.653   0.774    21.730    0.000    0.000
LGA    F    86_F      F    86_A    18.879     0    0.027   1.300    22.885    0.000    0.000
LGA    V    87_F      V    87_A    24.249     0    0.045   1.004    26.327    0.000    0.000
LGA    L    88_F      L    88_A    27.620     0    0.052   1.385    31.376    0.000    0.000
LGA    P    89_F      P    89_A    31.205     0    0.036   0.079    34.423    0.000    0.000
LGA    G    90_F      G    90_A    38.331     0    0.074   0.074    41.128    0.000    0.000
LGA    V    91_F      V    91_A    37.621     0    0.038   0.063    38.855    0.000    0.000
LGA    N    92_F      N    92_A    34.622     0    0.068   0.162    35.016    0.000    0.000
LGA    D    93_F      D    93_A    33.691     0    0.340   1.004    37.954    0.000    0.000
LGA    R    94_F      R    94_A    38.044     0    0.241   0.536    41.438    0.000    0.000
LGA    A    95_F      A    95_A    38.966     0    0.155   0.162    41.817    0.000    0.000
LGA    T    96_F      T    96_A    42.037     0    0.609   1.159    44.690    0.000    0.000
LGA    V    97_F      V    97_A    46.559     0    0.188   0.192    48.970    0.000    0.000
LGA    A    98_F      A    98_A    49.031     0    0.670   0.607    52.381    0.000    0.000
LGA    T    99_F      T    99_A    54.435     0    0.031   0.036    55.829    0.000    0.000
LGA    A   100_F      A   100_A    57.514     0    0.045   0.043    59.596    0.000    0.000
LGA    D   101_F      D   101_A    59.216     0    0.055   0.612    64.649    0.000    0.000
LGA    E   102_F      E   102_A    53.370     0    0.031   1.370    55.419    0.000    0.000
LGA    A   103_F      A   103_A    51.442     0    0.058   0.075    52.332    0.000    0.000
LGA    K   104_F      K   104_A    55.159     0    0.032   0.989    62.555    0.000    0.000
LGA    K   105_F      K   105_A    52.679     0    0.069   0.219    56.918    0.000    0.000
LGA    W   106_F      W   106_A    47.064     0    0.183   0.431    49.199    0.000    0.000
LGA    E   107_F      E   107_A    49.337     0    0.027   1.072    58.278    0.000    0.000
LGA    N   108_F      N   108_A    47.579     0    0.183   0.264    53.563    0.000    0.000
LGA    C   109_F      C   109_A    41.853     0    0.657   0.682    44.046    0.000    0.000
LGA    D   110_F      D   110_A    39.103     0    0.602   0.492    40.529    0.000    0.000
LGA    A   111_F      A   111_A    37.413     0    0.618   0.606    38.570    0.000    0.000
LGA    T   112_F      T   112_A    30.916     0    0.622   1.275    33.372    0.000    0.000
LGA    L   113_F      L   113_A    25.669     0    0.622   1.178    27.390    0.000    0.000
LGA    T   114_F      T   114_A    25.819     0    0.634   1.326    28.794    0.000    0.000
LGA    G   115_F      G   115_A    24.572     0    0.524   0.524    24.572    0.000    0.000
LGA    L   116_F      L   116_A    18.475     0    0.632   0.839    20.681    0.000    0.000
LGA    Q   117_F      Q   117_A    17.259     0    0.638   1.006    17.643    0.000    0.000
LGA    R   118_F      R   118_A    19.413     0    0.619   1.508    26.738    0.000    0.000
LGA    I   119_F      I   119_A    18.487     0    0.624   0.580    20.326    0.000    0.000
LGA    I   120_F      I   120_A    21.254     0    0.634   0.540    23.155    0.000    0.000
LGA    H   121_F      H   121_A    23.995     0    0.640   1.444    28.555    0.000    0.000
LGA    H   122_F      H   122_A    28.253     0    0.674   1.467    29.321    0.000    0.000
LGA    H   123_F      H   123_A    30.038     0    0.709   1.299    33.582    0.000    0.000
LGA    H   124_F      H   124_A    34.722     0    0.075   0.964    39.083    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):    17.800         17.721                 18.381           28.544   26.798

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     50    2.45    39.113    34.074     1.964

LGA_LOCAL      RMSD:   2.446  Number of atoms:   50  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  22.516  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  17.800  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.080431 * X  +  -0.516343 * Y  +   0.852597 * Z  + -55.978954
  Y_new =  -0.837306 * X  +   0.499074 * Y  +   0.223256 * Z  +  12.124483
  Z_new =  -0.540785 * X  +  -0.695928 * Y  +  -0.472478 * Z  +   4.944313 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.666562  0.571370 -2.167233   [DEG:  -95.4870   32.7371 -124.1733 ]
ZXZ:  1.826901  2.062897 -2.480990   [DEG:  104.6737  118.1953 -142.1503 ]
 
# END of job
