
#######################################################
#                                                     #
#                        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:    32      30_A - 61_A        5.00    20.89
  LONGEST_CONTINUOUS_SEGMENT:    32      31_A - 62_A        4.72    20.77
  LONGEST_CONTINUOUS_SEGMENT:    32      32_A - 63_A        4.81    20.60
  LONGEST_CONTINUOUS_SEGMENT:    32      33_A - 64_A        4.96    20.42
  LCS_AVERAGE:     20.04

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      33_A - 53_A        1.95    22.50
  LCS_AVERAGE:      8.57

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:     8      33_A - 40_A        0.95    22.07
  LONGEST_CONTINUOUS_SEGMENT:     8      34_A - 41_A        0.92    21.61
  LONGEST_CONTINUOUS_SEGMENT:     8      44_A - 51_A        0.95    22.14
  LCS_AVERAGE:      3.90

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      3    9   22      1    3    5    6    8    9   11   14   15   17   17   20   22   24   27   29   31   32   33   34 
LCS_GDT     F     2_F     F     2_A      4    9   22      4    4    5    6    8    9   11   11   13   13   17   20   22   24   27   29   31   32   33   37 
LCS_GDT     T     3_F     T     3_A      4    9   22      4    4    5    6    8    9   11   14   15   17   18   20   22   25   28   31   39   40   45   47 
LCS_GDT     G     4_F     G     4_A      4    9   22      4    4    5    6    8    9   12   14   15   20   23   27   32   35   37   41   43   46   49   54 
LCS_GDT     W     5_F     W     5_A      4    9   22      4    4    5    6    9   10   12   15   17   21   23   27   32   35   37   41   43   48   56   60 
LCS_GDT     S     6_F     S     6_A      4    9   22      3    4    5    7    9   11   13   16   20   21   27   28   32   35   37   43   52   55   57   60 
LCS_GDT     P     7_F     P     7_A      4   12   22      3    4    5    9   11   12   14   16   20   22   27   28   32   35   39   47   52   55   57   63 
LCS_GDT     F     8_F     F     8_A      5   12   22      3    4    5    9   11   12   14   16   20   22   27   28   32   35   39   47   52   55   57   63 
LCS_GDT     K     9_F     K     9_A      5   12   22      3    4    6    9   12   14   14   16   20   23   27   31   35   39   44   49   52   55   57   63 
LCS_GDT     Y    10_F     Y    10_A      5   12   22      3    4    6    9   12   14   14   16   22   24   27   31   35   39   44   49   52   55   57   63 
LCS_GDT     S    11_F     S    11_A      5   12   22      3    4    6    9   12   14   14   20   22   24   27   31   35   39   44   49   52   55   57   63 
LCS_GDT     K    12_F     K    12_A      5   12   22      3    4    5    9   12   14   16   20   22   24   26   31   35   38   44   49   52   55   57   63 
LCS_GDT     G    13_F     G    13_A      4   12   22      3    4    6    9   12   14   17   20   22   24   27   31   35   39   44   49   52   55   57   63 
LCS_GDT     N    14_F     N    14_A      4   12   22      3    4    6    9   12   14   14   16   20   23   27   31   35   39   44   49   52   55   57   63 
LCS_GDT     T    15_F     T    15_A      4   12   22      3    4    6    8   12   14   14   15   16   19   22   28   32   35   43   49   52   55   57   63 
LCS_GDT     V    16_F     V    16_A      4   12   22      3    4    6    9   12   14   14   15   16   17   20   27   29   31   36   42   46   51   57   63 
LCS_GDT     T    17_F     T    17_A      4   12   22      3    4    5    9   12   14   14   15   16   17   20   24   25   28   30   32   35   37   41   45 
LCS_GDT     F    18_F     F    18_A      4   12   22      3    4    6    9   11   14   14   15   18   21   22   24   25   28   30   32   35   39   42   45 
LCS_GDT     K    19_F     K    19_A      4   12   22      3    4    5    9   12   14   14   15   18   21   22   24   25   28   30   32   34   39   42   45 
LCS_GDT     T    20_F     T    20_A      4   12   22      3    4    5    9   12   14   14   15   18   21   22   24   25   28   31   33   37   39   43   45 
LCS_GDT     P    21_F     P    21_A      4   12   22      3    4    6    8   11   14   14   15   17   19   22   24   26   29   31   33   37   39   43   45 
LCS_GDT     D    22_F     D    22_A      4   12   22      3    3    6    9   12   14   14   15   18   21   22   24   26   29   31   33   37   39   43   45 
LCS_GDT     E    23_F     E    23_A      4    9   22      3    3    6    6    9   11   12   15   18   21   22   24   26   29   31   33   37   39   43   45 
LCS_GDT     S    24_F     S    24_A      4    8   22      3    3    6    6    9   11   12   14   18   21   22   24   25   28   31   33   37   39   43   45 
LCS_GDT     S    25_F     S    25_A      4    8   22      3    3    6    6    8   11   12   14   18   21   22   24   25   28   31   33   37   39   43   44 
LCS_GDT     I    26_F     I    26_A      4    7   22      3    3    4    6    8    9   12   14   18   21   22   24   25   28   31   33   37   39   43   48 
LCS_GDT     A    27_F     A    27_A      3    7   21      2    3    4    9   10   10   11   14   18   21   22   24   25   28   31   33   37   39   43   48 
LCS_GDT     Y    28_F     Y    28_A      5    7   19      2    4    8    9   10   10   11   14   17   19   21   23   25   28   31   33   37   39   43   45 
LCS_GDT     M    29_F     M    29_A      5    7   18      3    4    8    9   10   10   11   14   17   19   21   23   26   29   31   33   37   39   43   48 
LCS_GDT     R    30_F     R    30_A      5    7   32      3    4    8    9   10   10   11   14   17   19   21   23   25   28   31   33   37   39   43   45 
LCS_GDT     F    31_F     F    31_A      5    7   32      3    4    8    9   10   10   11   14   17   19   21   26   32   35   39   41   44   45   46   48 
LCS_GDT     R    32_F     R    32_A      5   10   32      3    4    8    9   10   10   15   16   26   31   33   34   37   39   39   42   44   45   46   48 
LCS_GDT     N    33_F     N    33_A      8   21   32      3    6   12   16   19   22   24   25   28   31   33   34   37   39   39   42   44   45   46   48 
LCS_GDT     C    34_F     C    34_A      8   21   32      3    8   13   17   19   22   24   25   28   31   33   34   37   39   39   42   44   45   46   48 
LCS_GDT     V    35_F     V    35_A      8   21   32      4   10   13   17   19   22   24   25   28   31   33   34   37   39   39   42   44   46   49   51 
LCS_GDT     F    36_F     F    36_A      8   21   32      5   10   13   17   19   22   24   25   28   31   33   34   37   39   44   49   52   55   57   63 
LCS_GDT     T    37_F     T    37_A      8   21   32      5   10   13   17   19   22   24   25   28   31   33   34   37   39   43   49   52   55   57   63 
LCS_GDT     F    38_F     F    38_A      8   21   32      5   10   13   17   19   22   24   25   28   31   33   34   37   39   44   49   52   55   57   63 
LCS_GDT     T    39_F     T    39_A      8   21   32      3    8   13   17   19   22   24   25   28   31   33   34   37   39   43   48   50   54   57   63 
LCS_GDT     D    40_F     D    40_A      8   21   32      3    6   12   17   19   22   24   25   28   31   33   34   37   39   39   45   50   53   54   63 
LCS_GDT     P    41_F     P    41_A      8   21   32      3    8   12   17   19   22   24   25   28   31   33   34   37   39   39   42   44   45   48   54 
LCS_GDT     K    42_F     K    42_A      6   21   32      5   10   13   17   19   22   24   25   28   31   33   34   37   39   40   44   50   53   54   57 
LCS_GDT     G    43_F     G    43_A      4   21   32      3    4    6    8   13   16   19   22   26   28   33   34   37   39   44   49   50   53   57   63 
LCS_GDT     S    44_F     S    44_A      8   21   32      3    8   13   17   19   22   24   25   28   31   33   34   37   39   44   49   52   55   57   63 
LCS_GDT     L    45_F     L    45_A      8   21   32      3   10   13   17   19   22   24   25   28   31   33   34   37   39   44   49   52   55   57   63 
LCS_GDT     H    46_F     H    46_A      8   21   32      3   10   13   17   19   22   24   25   28   31   33   34   37   39   44   49   52   55   57   63 
LCS_GDT     S    47_F     S    47_A      8   21   32      5   10   13   17   19   22   24   25   28   31   33   34   37   39   41   49   52   55   57   63 
LCS_GDT     I    48_F     I    48_A      8   21   32      3    6   13   17   19   22   24   25   28   31   33   34   37   39   39   44   50   54   57   63 
LCS_GDT     D    49_F     D    49_A      8   21   32      3   10   13   17   19   22   24   25   28   31   33   34   37   39   39   42   44   45   47   48 
LCS_GDT     V    50_F     V    50_A      8   21   32      3   10   13   17   19   22   24   25   28   30   33   34   37   39   39   44   50   53   54   63 
LCS_GDT     T    51_F     T    51_A      8   21   32      3    9   13   17   19   22   24   25   28   31   33   34   37   39   39   42   50   52   52   53 
LCS_GDT     E    52_F     E    52_A      4   21   32      3    5   10   15   19   22   24   25   28   30   33   34   36   39   39   44   50   53   54   63 
LCS_GDT     V    53_F     V    53_A      4   21   32      3    4    6    8   19   22   24   25   28   30   33   34   37   39   44   49   52   54   57   63 
LCS_GDT     L    54_F     L    54_A      4   13   32      3    4    8   15   18   20   22   25   28   31   33   34   37   39   44   49   52   55   57   63 
LCS_GDT     N    55_F     N    55_A      4   13   32      3    4   10   14   19   21   24   25   28   31   33   34   37   39   44   49   50   53   56   63 
LCS_GDT     N    56_F     N    56_A      7   13   32      1    6    8   10   15   20   24   25   28   31   33   34   37   39   44   49   52   55   57   63 
LCS_GDT     M    57_F     M    57_A      7   13   32      4    6    8   10   13   17   19   25   28   31   33   34   37   39   44   49   52   55   57   63 
LCS_GDT     A    58_F     A    58_A      7   13   32      4    6    8   10   13   17   19   24   28   31   33   34   37   39   44   49   52   55   57   63 
LCS_GDT     K    59_F     K    59_A      7   13   32      4    6    8   10   13   17   19   21   28   31   33   34   37   39   44   49   52   55   57   63 
LCS_GDT     G    60_F     G    60_A      7   13   32      4    6    8   10   13   17   19   21   24   31   33   34   37   39   40   47   52   55   57   60 
LCS_GDT     F    61_F     F    61_A      7   13   32      4    6    8   10   13   17   19   21   23   25   27   30   33   37   39   42   52   55   57   60 
LCS_GDT     R    62_F     R    62_A      7   13   32      4    6    8   10   13   17   19   21   23   25   27   31   33   37   39   47   52   55   57   60 
LCS_GDT     D    63_F     D    63_A      5   13   32      3    4    8   10   13   17   19   21   23   24   27   30   32   36   39   42   44   50   56   60 
LCS_GDT     A    64_F     A    64_A      5   13   32      3    6    8   10   13   17   19   21   23   24   27   30   32   36   39   41   44   48   54   59 
LCS_GDT     Q    65_F     Q    65_A      5   13   28      3    4    4    6   11   13   18   21   23   24   26   28   31   32   36   39   41   48   54   57 
LCS_GDT     N    66_F     N    66_A      5   13   28      3    4    4    6   10   13   14   19   22   23   26   26   27   30   33   36   39   43   47   56 
LCS_GDT     P    67_F     P    67_A      5    7   28      3    4    4   10   12   17   19   21   23   24   26   28   30   32   35   37   39   45   50   56 
LCS_GDT     P    68_F     P    68_A      3    7   28      0    3    3    7   12   17   19   21   23   24   26   29   31   32   35   37   39   43   46   53 
LCS_GDT     S    69_F     S    69_A      4    7   28      0    4    5    6   12   16   19   21   23   24   26   28   31   32   34   36   39   43   45   48 
LCS_GDT     S    70_F     S    70_A      5    7   28      3    4    7   10   13   17   19   21   23   25   28   32   33   37   39   42   44   45   46   53 
LCS_GDT     F    71_F     F    71_A      5    7   28      3    5    8   10   13   16   17   21   24   31   32   33   37   39   39   42   44   48   54   57 
LCS_GDT     T    72_F     T    72_A      5    7   28      3    4    5    9   16   21   24   25   28   31   33   34   37   39   39   42   44   47   54   57 
LCS_GDT     L    73_F     L    73_A      5    7   28      3    4    5    6    9   18   22   25   28   29   33   34   37   39   39   42   46   50   56   59 
LCS_GDT     G    74_F     G    74_A      5    6   27      3    4    5    6    8    9   12   13   15   16   19   25   31   35   37   41   46   50   55   59 
LCS_GDT     G    75_F     G    75_A      4    5   26      3    4    4    5    7    8   20   23   24   26   27   29   31   35   37   41   46   50   55   59 
LCS_GDT     H    76_F     H    76_A      5    6   25      3    4    5    5    7    7    9   10   11   17   17   26   31   35   37   38   40   47   54   57 
LCS_GDT     C    77_F     C    77_A      5    6   15      3    4    5    5    7    7    9   10   13   17   17   21   22   28   37   38   40   42   45   53 
LCS_GDT     Q    78_F     Q    78_A      5    6   17      3    3    5    5    7    7    9   10   14   29   33   34   37   39   39   42   44   45   46   48 
LCS_GDT     A    79_F     A    79_A      5    6   21      1    3    5    5    7   13   23   25   28   31   33   34   37   39   39   42   44   45   46   48 
LCS_GDT     P    80_F     P    80_A      5    6   21      3    3    5    6   13   16   19   24   28   31   32   33   37   39   39   42   44   45   46   48 
LCS_GDT     L    81_F     L    81_A      3    6   21      3    3    5    9   13   18   21   25   28   31   33   34   37   39   39   42   44   45   46   48 
LCS_GDT     N    82_F     N    82_A      3    5   21      3    3    7   11   17   22   24   25   28   31   33   34   37   39   39   42   44   45   46   48 
LCS_GDT     A    83_F     A    83_A      3    5   21      0    5    5    8   15   22   24   25   27   29   33   34   37   39   39   42   44   45   46   51 
LCS_GDT     F    84_F     F    84_A      3    7   21      3    3    3    5    7   14   20   24   27   29   33   34   36   39   39   44   49   55   57   63 
LCS_GDT     S    85_F     S    85_A      4   10   21      3    4    6    8   11   13   16   18   24   26   27   30   36   37   39   43   52   55   57   63 
LCS_GDT     F    86_F     F    86_A      4   10   21      3    4    5    8   10   12   16   18   24   26   27   30   35   39   44   49   52   55   57   63 
LCS_GDT     V    87_F     V    87_A      4   10   23      3    4    5    7   10   12   13   16   20   23   27   31   35   39   44   49   52   55   57   63 
LCS_GDT     L    88_F     L    88_A      4   10   23      3    4    5    7   10   12   13   15   18   20   23   29   32   39   43   46   50   54   57   63 
LCS_GDT     P    89_F     P    89_A      5   10   23      4    5    5    7   10   12   13   15   18   20   22   27   32   36   43   46   50   54   57   63 
LCS_GDT     G    90_F     G    90_A      5   10   23      4    5    5    7   10   12   13   15   18   20   21   23   25   28   30   32   38   39   46   54 
LCS_GDT     V    91_F     V    91_A      5   10   23      4    5    5    7   10   12   13   15   18   20   21   23   25   28   30   33   38   39   41   45 
LCS_GDT     N    92_F     N    92_A      5   10   24      4    5    5    6    8   11   13   15   18   19   21   23   25   29   31   38   43   46   54   63 
LCS_GDT     D    93_F     D    93_A      5   10   24      3    5    5    7   10   11   13   16   20   22   27   29   32   39   44   49   52   55   57   63 
LCS_GDT     R    94_F     R    94_A      3   10   24      3    4    5    7   10   12   13   15   22   24   27   31   35   39   44   49   52   55   57   63 
LCS_GDT     A    95_F     A    95_A      3    6   24      3    4    5    5    9   14   17   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     T    96_F     T    96_A      3    6   24      3    4    5    5    7   10   17   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     V    97_F     V    97_A      3    6   24      1    4    4    5    6    8    9   13   16   22   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     A    98_F     A    98_A      4    6   24      2    4    5    8   10   14   17   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     T    99_F     T    99_A      4    6   24      1    3    5    8   10   14   17   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     A   100_F     A   100_A      4    5   24      3    3    5    8   10   14   17   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     D   101_F     D   101_A      4    5   24      3    3    5    8   10   14   17   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     E   102_F     E   102_A      3    5   24      3    3    5    8    9    9   11   13   17   22   25   31   35   39   43   49   52   55   57   63 
LCS_GDT     A   103_F     A   103_A      4    6   24      3    3    4    8   10   14   17   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     K   104_F     K   104_A      4    7   24      3    3    5    5   10   14   17   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     K   105_F     K   105_A      4    8   24      3    3    5    8   10   14   17   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     W   106_F     W   106_A      5    8   24      3    4    5    8   10   14   17   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     E   107_F     E   107_A      5    8   24      3    4    5    8   10   14   17   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     N   108_F     N   108_A      5    8   24      3    4    5    8   10   14   17   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     C   109_F     C   109_A      5    8   24      3    4    5    8   10   14   17   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     D   110_F     D   110_A      5    8   24      3    4    5    8   10   14   17   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     A   111_F     A   111_A      4    8   24      3    4    5    6   10   14   17   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     T   112_F     T   112_A      4    8   24      3    4    5    6   10   14   17   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     L   113_F     L   113_A      4    7   24      3    4    5    6    7    9   14   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     T   114_F     T   114_A      3    7   24      0    3    4    5    7    9   12   20   22   24   26   31   35   39   44   49   52   55   57   63 
LCS_GDT     G   115_F     G   115_A      3    3   24      0    3    4    6    8   12   13   15   20   23   27   31   35   39   44   49   52   55   57   63 
LCS_GDT     L   116_F     L   116_A      3    3   24      0    3    3    3    8    9   13   15   18   21   27   28   32   35   39   49   52   55   57   63 
LCS_GDT     Q   117_F     Q   117_A      3    4   24      1    3    4    6    8   11   13   15   20   22   27   28   34   39   44   49   52   55   57   63 
LCS_GDT     R   118_F     R   118_A      3    4   12      3    3    4    5    6    9   13   16   20   22   27   28   32   35   37   47   52   55   57   63 
LCS_GDT     I   119_F     I   119_A      3    4    9      3    3    3    5    6    9    9   12   14   17   23   27   32   35   37   41   43   46   49   57 
LCS_GDT     I   120_F     I   120_A      3    4    9      3    3    3    6    7    8    8   12   14   16   22   27   32   35   37   41   43   46   49   54 
LCS_GDT     H   121_F     H   121_A      3    4    9      3    3    3    4    5    7    9   12   12   20   23   27   32   35   37   41   43   46   49   54 
LCS_GDT     H   122_F     H   122_A      3    4    8      3    3    3    4    4    4    8   10   11   12   12   15   19   22   24   25   33   37   42   46 
LCS_GDT     H   123_F     H   123_A      3    3    8      3    3    3    3    3    3    4    4   11   12   12   13   15   16   16   24   27   28   31   33 
LCS_GDT     H   124_F     H   124_A      3    3    8      3    3    3    3    3    3    3    4    4    6    8    8   15   16   16   18   19   28   30   33 
LCS_AVERAGE  LCS_A:  10.84  (   3.90    8.57   20.04 )

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      5     10     13     17     19     22     24     25     28     31     33     34     37     39     44     49     52     55     57     63 
GDT PERCENT_AT   4.03   8.06  10.48  13.71  15.32  17.74  19.35  20.16  22.58  25.00  26.61  27.42  29.84  31.45  35.48  39.52  41.94  44.35  45.97  50.81
GDT RMS_LOCAL    0.30   0.62   0.83   1.24   1.51   1.93   2.13   2.27   2.66   3.54   3.36   3.46   4.03   5.11   5.43   5.78   6.26   6.57   6.66   6.96
GDT RMS_ALL_AT  21.98  22.04  22.08  22.16  21.94  22.63  22.01  22.06  21.79  20.84  21.68  21.69  21.01  17.45  17.02  16.80  15.61  15.14  15.22  16.69

# 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:  F    31_F      F    31_A
#   possible swapping detected:  F    38_F      F    38_A
#   possible swapping detected:  D    40_F      D    40_A
#   possible swapping detected:  D    49_F      D    49_A
#   possible swapping detected:  D    63_F      D    63_A
#   possible swapping detected:  F    84_F      F    84_A
#   possible swapping detected:  F    86_F      F    86_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A    36.500     0    0.125   0.703    39.158    0.000    0.000
LGA    F     2_F      F     2_A    34.038     0    0.232   1.269    34.642    0.000    0.000
LGA    T     3_F      T     3_A    35.907     0    0.409   1.342    39.449    0.000    0.000
LGA    G     4_F      G     4_A    35.361     0    0.197   0.197    35.508    0.000    0.000
LGA    W     5_F      W     5_A    32.023     0    0.089   1.320    34.973    0.000    0.000
LGA    S     6_F      S     6_A    32.453     0    0.232   0.419    32.997    0.000    0.000
LGA    P     7_F      P     7_A    30.172     0    0.146   0.313    34.143    0.000    0.000
LGA    F     8_F      F     8_A    26.242     0    0.302   1.163    27.354    0.000    0.000
LGA    K     9_F      K     9_A    26.435     0    0.316   0.690    30.507    0.000    0.000
LGA    Y    10_F      Y    10_A    24.909     0    0.190   1.148    24.909    0.000    0.000
LGA    S    11_F      S    11_A    26.582     0    0.391   0.682    29.605    0.000    0.000
LGA    K    12_F      K    12_A    28.659     0    0.337   0.722    32.436    0.000    0.000
LGA    G    13_F      G    13_A    30.363     0    0.026   0.026    30.363    0.000    0.000
LGA    N    14_F      N    14_A    25.985     0    0.104   0.372    27.358    0.000    0.000
LGA    T    15_F      T    15_A    26.087     0    0.093   1.007    29.937    0.000    0.000
LGA    V    16_F      V    16_A    21.737     0    0.082   1.020    23.607    0.000    0.000
LGA    T    17_F      T    17_A    26.329     0    0.088   0.793    31.060    0.000    0.000
LGA    F    18_F      F    18_A    24.974     0    0.087   1.261    28.035    0.000    0.000
LGA    K    19_F      K    19_A    31.796     0    0.142   0.889    37.614    0.000    0.000
LGA    T    20_F      T    20_A    35.796     0    0.115   0.940    38.799    0.000    0.000
LGA    P    21_F      P    21_A    40.868     0    0.555   0.505    43.953    0.000    0.000
LGA    D    22_F      D    22_A    42.736     0    0.558   1.137    43.432    0.000    0.000
LGA    E    23_F      E    23_A    39.410     0    0.080   1.012    45.180    0.000    0.000
LGA    S    24_F      S    24_A    38.471     0    0.499   0.891    40.633    0.000    0.000
LGA    S    25_F      S    25_A    32.975     0    0.272   0.715    35.379    0.000    0.000
LGA    I    26_F      I    26_A    28.649     0    0.560   1.423    30.142    0.000    0.000
LGA    A    27_F      A    27_A    25.693     0    0.710   0.700    26.973    0.000    0.000
LGA    Y    28_F      Y    28_A    26.530     0    0.628   0.719    38.022    0.000    0.000
LGA    M    29_F      M    29_A    20.947     0    0.128   0.984    22.769    0.000    0.000
LGA    R    30_F      R    30_A    16.402     0    0.118   1.198    24.488    0.000    0.000
LGA    F    31_F      F    31_A    11.175     0    0.167   0.881    14.069    0.238    0.130
LGA    R    32_F      R    32_A     7.378     0    0.422   1.804    13.661   14.048    5.801
LGA    N    33_F      N    33_A     1.907     0    0.125   0.955     3.708   63.214   56.726
LGA    C    34_F      C    34_A     0.783     0    0.264   0.845     3.813   83.810   76.667
LGA    V    35_F      V    35_A     0.819     0    0.189   0.283     1.989   88.214   82.857
LGA    F    36_F      F    36_A     1.102     0    0.087   0.672     3.942   83.690   65.281
LGA    T    37_F      T    37_A     1.303     0    0.159   0.222     1.668   77.143   76.531
LGA    F    38_F      F    38_A     2.357     0    0.160   1.033     5.444   70.833   54.069
LGA    T    39_F      T    39_A     1.121     0    0.195   0.889     3.531   81.429   76.054
LGA    D    40_F      D    40_A     1.250     0    0.021   1.289     6.644   85.952   60.952
LGA    P    41_F      P    41_A     0.774     0    0.587   0.559     3.739   76.667   82.585
LGA    K    42_F      K    42_A     2.253     0    0.496   0.841     6.448   50.119   53.333
LGA    G    43_F      G    43_A     6.124     0    0.283   0.283     6.528   24.762   24.762
LGA    S    44_F      S    44_A     2.154     0    0.165   0.268     3.004   64.881   62.381
LGA    L    45_F      L    45_A     1.677     0    0.120   1.205     3.795   75.238   67.500
LGA    H    46_F      H    46_A     1.065     0    0.179   0.994     4.517   90.595   69.048
LGA    S    47_F      S    47_A     0.678     0    0.094   0.622     2.837   85.952   80.397
LGA    I    48_F      I    48_A     1.656     0    0.114   0.674     4.255   72.976   59.167
LGA    D    49_F      D    49_A     2.469     0    0.189   0.777     5.487   61.190   49.405
LGA    V    50_F      V    50_A     2.816     0    0.543   1.177     5.346   51.548   49.252
LGA    T    51_F      T    51_A     1.544     0    0.354   1.255     4.441   69.048   61.156
LGA    E    52_F      E    52_A     3.184     0    0.244   1.247     4.999   57.262   51.323
LGA    V    53_F      V    53_A     2.888     0    0.177   1.181     4.918   50.714   53.469
LGA    L    54_F      L    54_A     5.277     0    0.347   1.210    11.137   34.048   18.452
LGA    N    55_F      N    55_A     3.122     0    0.217   0.908     5.727   50.119   40.357
LGA    N    56_F      N    56_A     3.318     0    0.247   0.307     5.680   40.000   47.024
LGA    M    57_F      M    57_A     6.379     0    0.114   1.127     8.633   15.357   18.571
LGA    A    58_F      A    58_A     7.730     0    0.071   0.094     9.923    5.952    6.762
LGA    K    59_F      K    59_A     9.043     0    0.051   0.883    11.812    1.667    2.169
LGA    G    60_F      G    60_A    10.180     0    0.059   0.059    12.806    0.357    0.357
LGA    F    61_F      F    61_A    13.845     0    0.113   1.630    16.377    0.000    1.126
LGA    R    62_F      R    62_A    15.251     0    0.014   1.217    17.603    0.000    0.000
LGA    D    63_F      D    63_A    17.413     0    0.118   0.933    19.225    0.000    0.000
LGA    A    64_F      A    64_A    19.079     0    0.424   0.499    19.881    0.000    0.000
LGA    Q    65_F      Q    65_A    20.126     0    0.110   0.501    22.806    0.000    0.000
LGA    N    66_F      N    66_A    20.870     0    0.322   1.028    21.157    0.000    0.000
LGA    P    67_F      P    67_A    22.250     0    0.353   0.361    25.228    0.000    0.000
LGA    P    68_F      P    68_A    21.567     0    0.372   0.456    22.683    0.000    0.000
LGA    S    69_F      S    69_A    20.652     0    0.424   0.743    22.527    0.000    0.000
LGA    S    70_F      S    70_A    13.623     0    0.391   0.747    16.168    0.000    0.000
LGA    F    71_F      F    71_A     9.211     0    0.075   0.832    10.857    7.024   10.000
LGA    T    72_F      T    72_A     3.407     0    0.158   0.303     5.284   37.738   40.204
LGA    L    73_F      L    73_A     4.769     0    0.200   0.955     8.214   23.214   28.869
LGA    G    74_F      G    74_A    10.492     0    0.364   0.364    12.655    1.190    1.190
LGA    G    75_F      G    75_A    11.677     0    0.148   0.148    12.372    0.000    0.000
LGA    H    76_F      H    76_A    13.188     0    0.648   0.929    17.919    0.000    0.000
LGA    C    77_F      C    77_A    11.070     0    0.730   1.012    11.615    0.357    0.476
LGA    Q    78_F      Q    78_A     6.771     0    0.419   0.939     8.617   11.190    8.889
LGA    A    79_F      A    79_A     5.119     0    0.173   0.221     5.886   23.810   27.714
LGA    P    80_F      P    80_A     8.438     0    0.470   0.634    11.110    8.690    5.374
LGA    L    81_F      L    81_A     5.244     0    0.119   1.063     6.569   36.667   37.857
LGA    N    82_F      N    82_A     3.219     0    0.539   1.158     8.940   40.714   26.488
LGA    A    83_F      A    83_A     4.248     0    0.651   0.586     6.060   40.357   35.714
LGA    F    84_F      F    84_A     5.856     0    0.601   1.453    11.629   17.024    9.481
LGA    S    85_F      S    85_A     8.300     0    0.531   0.530    10.084    5.238    4.762
LGA    F    86_F      F    86_A     7.889     0    0.293   1.386    10.828    3.571   17.879
LGA    V    87_F      V    87_A    14.213     0    0.231   0.770    18.275    0.000    0.000
LGA    L    88_F      L    88_A    15.584     0    0.176   0.815    18.978    0.000    0.000
LGA    P    89_F      P    89_A    22.469     0    0.158   0.378    25.173    0.000    0.000
LGA    G    90_F      G    90_A    27.900     0    0.208   0.208    29.148    0.000    0.000
LGA    V    91_F      V    91_A    25.060     0    0.544   0.975    26.414    0.000    0.000
LGA    N    92_F      N    92_A    24.009     0    0.637   1.058    24.009    0.000    0.000
LGA    D    93_F      D    93_A    25.516     0    0.647   0.921    27.916    0.000    0.000
LGA    R    94_F      R    94_A    27.027     0    0.495   0.872    32.465    0.000    0.000
LGA    A    95_F      A    95_A    27.605     0    0.776   0.743    27.605    0.000    0.000
LGA    T    96_F      T    96_A    22.978     0    0.662   0.976    24.309    0.000    0.000
LGA    V    97_F      V    97_A    21.359     0    0.291   0.373    23.688    0.000    0.000
LGA    A    98_F      A    98_A    25.433     0    0.513   0.513    28.872    0.000    0.000
LGA    T    99_F      T    99_A    28.996     0    0.274   0.442    29.683    0.000    0.000
LGA    A   100_F      A   100_A    31.624     0    0.223   0.233    32.580    0.000    0.000
LGA    D   101_F      D   101_A    33.976     0    0.271   1.079    39.163    0.000    0.000
LGA    E   102_F      E   102_A    28.637     0    0.337   1.442    30.567    0.000    0.000
LGA    A   103_F      A   103_A    24.240     0    0.276   0.294    25.741    0.000    0.000
LGA    K   104_F      K   104_A    27.296     0    0.184   0.972    29.960    0.000    0.000
LGA    K   105_F      K   105_A    24.865     0    0.233   0.685    26.292    0.000    0.000
LGA    W   106_F      W   106_A    22.687     0    0.318   0.969    25.770    0.000    0.000
LGA    E   107_F      E   107_A    28.290     0    0.277   0.898    36.827    0.000    0.000
LGA    N   108_F      N   108_A    26.835     0    0.207   1.162    28.990    0.000    0.000
LGA    C   109_F      C   109_A    22.072     0    0.117   0.300    24.637    0.000    0.000
LGA    D   110_F      D   110_A    23.804     0    0.565   0.885    27.622    0.000    0.000
LGA    A   111_F      A   111_A    18.625     0    0.437   0.399    20.869    0.000    0.000
LGA    T   112_F      T   112_A    19.104     0    0.570   0.929    22.725    0.000    0.000
LGA    L   113_F      L   113_A    15.925     0    0.635   1.374    19.220    0.000    0.000
LGA    T   114_F      T   114_A    21.010     0    0.633   1.197    24.910    0.000    0.000
LGA    G   115_F      G   115_A    20.196     0    0.424   0.424    22.700    0.000    0.000
LGA    L   116_F      L   116_A    20.083     0    0.633   1.134    20.590    0.000    0.000
LGA    Q   117_F      Q   117_A    22.410     0    0.537   0.786    26.982    0.000    0.000
LGA    R   118_F      R   118_A    28.443     0    0.628   1.317    32.080    0.000    0.000
LGA    I   119_F      I   119_A    29.845     0    0.543   1.150    33.268    0.000    0.000
LGA    I   120_F      I   120_A    31.029     0    0.485   0.919    34.362    0.000    0.000
LGA    H   121_F      H   121_A    35.941     0    0.489   1.407    41.059    0.000    0.000
LGA    H   122_F      H   122_A    34.354     0    0.530   1.213    35.514    0.000    0.000
LGA    H   123_F      H   123_A    37.817     0    0.524   0.592    39.741    0.000    0.000
LGA    H   124_F      H   124_A    43.864     0    0.559   1.317    47.391    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):    13.323         13.215                 14.152           15.192   13.779

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     25    2.27    20.363    17.342     1.053

LGA_LOCAL      RMSD:   2.274  Number of atoms:   25  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  22.061  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  13.323  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.763953 * X  +  -0.630697 * Y  +  -0.136376 * Z  + -63.329437
  Y_new =   0.327556 * X  +  -0.561132 * Y  +   0.760156 * Z  +   9.828799
  Z_new =  -0.555953 * X  +   0.536052 * Y  +   0.635267 * Z  +  -6.347061 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.736537  0.589509  0.700896   [DEG:  156.7920   33.7764   40.1584 ]
ZXZ: -2.964076  0.882442 -0.803620   [DEG: -169.8290   50.5602  -46.0440 ]
 
# END of job
