
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  132 ( 1136),  selected  124 , name one
# Molecule2: number of CA atoms  124 ( 1059),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:D  -ch2:D  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    67       2_D - 68_D        4.98    25.40
  LCS_AVERAGE:     41.23

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    44       2_D - 45_D        1.95    26.09
  LCS_AVERAGE:     23.34

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      98_D - 123_D       0.80    20.58
  LCS_AVERAGE:     14.15

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     D     2_D     D     2_D     24   44   67      6   18   27   32   38   41   45   48   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     K     3_D     K     3_D     24   44   67     14   22   27   32   38   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     E     4_D     E     4_D     24   44   67     14   22   27   33   39   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     I     5_D     I     5_D     24   44   67     14   22   27   32   38   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     A     6_D     A     6_D     24   44   67     15   22   27   32   38   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     K     7_D     K     7_D     24   44   67     15   22   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     E     8_D     E     8_D     24   44   67     15   22   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     I     9_D     I     9_D     24   44   67     15   22   27   33   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     F    10_D     F    10_D     24   44   67     15   22   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     N    11_D     N    11_D     24   44   67     15   22   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     M    12_D     M    12_D     24   44   67     15   22   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     M    13_D     M    13_D     24   44   67     15   22   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     F    14_D     F    14_D     24   44   67     14   22   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     M    15_D     M    15_D     24   44   67     15   22   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     L    16_D     L    16_D     24   44   67     14   22   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     L    17_D     L    17_D     24   44   67     15   22   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     W    18_D     W    18_D     24   44   67     15   22   27   33   38   44   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     R    19_D     R    19_D     24   44   67     15   22   27   33   38   44   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     V    20_D     V    20_D     24   44   67     15   22   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     F    21_D     F    21_D     24   44   67     14   22   27   33   38   44   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     R    22_D     R    22_D     24   44   67      4   21   27   32   38   43   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     S    23_D     S    23_D     24   44   67      9   21   27   31   38   43   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     Q    24_D     Q    24_D     24   44   67      9   21   27   31   38   42   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     R    25_D     R    25_D     24   44   67      3    3    7   15   33   36   41   45   49   54   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     I    26_D     I    26_D      4   44   67      0   19   27   33   38   44   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     D    27_D     D    27_D      4   44   67      2   19   27   33   38   44   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     A    28_D     A    28_D      4   44   67      3    4    5    8   36   45   49   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     N    29_D     N    29_D     22   44   67      6   20   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     N    30_D     N    30_D     24   44   67      9   19   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     V    31_D     V    31_D     24   44   67     10   21   27   33   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     E    32_D     E    32_D     24   44   67     10   20   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     L    33_D     L    33_D     24   44   67     13   20   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     I    34_D     I    34_D     24   44   67     10   21   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     K    35_D     K    35_D     24   44   67     15   22   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     F    36_D     F    36_D     24   44   67     11   22   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     N    37_D     N    37_D     24   44   67     15   22   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     I    38_D     I    38_D     24   44   67     13   20   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     R    39_D     R    39_D     24   44   67     12   20   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     V    40_D     V    40_D     24   44   67     13   21   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     L    41_D     L    41_D     24   44   67     13   20   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     D    42_D     D    42_D     24   44   67     13   20   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     W    43_D     W    43_D     24   44   67     13   20   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     I    44_D     I    44_D     24   44   67     13   20   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     M    45_D     M    45_D     24   44   67     13   20   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     A    46_D     A    46_D     24   42   67     13   20   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     E    47_D     E    47_D     24   42   67      9   20   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     A    48_D     A    48_D     24   42   67     13   20   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     D    49_D     D    49_D     24   39   67     13   20   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     N    50_D     N    50_D     24   38   67      6   18   27   34   40   45   49   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     D    51_D     D    51_D     24   38   67      6   17   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     L    52_D     L    52_D     24   38   67      6   16   27   34   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     C    53_D     C    53_D     24   32   67      6   18   27   34   40   45   49   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     Y    54_D     Y    54_D     23   32   67      6   14   26   32   40   45   48   53   54   56   56   58   59   60   64   64   64   64   64   65 
LCS_GDT     F    55_D     F    55_D     20   32   67      6   14   26   33   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     I    56_D     I    56_D     17   32   67      3    7   24   32   40   45   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     G    57_D     G    57_D      4   32   67      3    4    5    9   16   32   47   51   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     T    58_D     T    58_D      4   31   67      3    3   13   23   35   43   50   53   54   56   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     H    59_D     H    59_D      4    6   67      3   17   25   32   38   40   44   46   50   54   57   58   60   61   64   64   64   64   64   65 
LCS_GDT     D    60_D     D    60_D      5    6   67      3    4    5    6    8   13   13   16   35   43   51   56   60   61   64   64   64   64   64   65 
LCS_GDT     K    61_D     K    61_D      5    6   67      4    4    5    7    9   13   24   30   39   46   51   56   60   61   64   64   64   64   64   65 
LCS_GDT     C    62_D     C    62_D      5    6   67      4    4    5    7    9   13   15   30   39   46   51   56   60   61   64   64   64   64   64   65 
LCS_GDT     E    63_D     E    63_D      5    6   67      4    4    5    7    9   13   21   27   35   43   51   52   58   61   64   64   64   64   64   65 
LCS_GDT     N    64_D     N    64_D      5    6   67      4    4    5    7    9   13   14   22   32   38   40   46   50   56   64   64   64   64   64   65 
LCS_GDT     P    65_D     P    65_D      4    5   67      3    4    5    6   13   28   34   37   43   48   52   56   59   60   64   64   64   64   64   65 
LCS_GDT     K    66_D     K    66_D      4    5   67      3    4    5    5    5    7   10   15   17   33   38   42   44   46   50   52   57   61   64   65 
LCS_GDT     E    67_D     E    67_D      3    5   67      3    3    3    6    6    8   12   14   19   24   33   38   41   43   46   48   50   53   54   58 
LCS_GDT     Q    68_D     Q    68_D      3   13   67      0    3    6   10   11   14   15   16   17   20   23   29   34   38   41   44   47   50   51   52 
LCS_GDT     W    69_D     W    69_D     10   13   42      4    4    8   11   13   14   15   16   17   18   23   28   34   38   41   44   47   50   51   52 
LCS_GDT     V    70_D     V    70_D     10   13   18      4    7   11   11   13   14   15   16   17   19   23   29   34   37   41   44   47   50   51   52 
LCS_GDT     A    71_D     A    71_D     10   13   18      6    8   11   11   13   14   15   16   17   20   23   29   34   37   41   44   47   50   51   52 
LCS_GDT     N    72_D     N    72_D     10   13   18      6    8   11   11   13   14   15   16   17   20   22   28   34   37   41   44   47   50   51   52 
LCS_GDT     Y    73_D     Y    73_D     10   13   18      6    8   11   11   13   14   15   16   17   20   23   29   34   37   41   44   47   50   51   52 
LCS_GDT     Q    74_D     Q    74_D     10   13   18      6    8   11   11   13   14   15   16   17   20   23   29   34   37   41   44   47   50   51   52 
LCS_GDT     N    75_D     N    75_D     10   13   18      6    8   11   11   13   14   15   16   17   20   22   25   33   37   39   44   47   50   51   52 
LCS_GDT     L    76_D     L    76_D     10   13   18      6    8   11   11   13   14   15   16   17   20   22   24   27   29   31   38   44   48   51   52 
LCS_GDT     N    77_D     N    77_D     10   13   18      4    8   11   11   13   14   15   16   17   20   22   24   25   31   39   43   45   49   53   54 
LCS_GDT     N    78_D     N    78_D     10   13   18      3    8   11   11   13   14   15   16   17   18   20   21   24   27   32   39   44   47   49   51 
LCS_GDT     V    79_D     V    79_D     10   13   18      3    4   11   11   13   14   15   16   17   18   20   21   22   24   31   35   38   43   45   51 
LCS_GDT     V    80_D     V    80_D      4   13   18      3    3    4   10   13   14   15   16   17   18   20   24   38   40   41   43   47   52   54   55 
LCS_GDT     F    81_D     F    81_D      4   12   18      3    4    5    5    6    6   10   13   16   18   20   34   38   40   41   43   47   49   53   54 
LCS_GDT     T    82_D     T    82_D      4    5   18      3    4    5    5    6    6    8   10   19   27   34   35   38   40   41   43   47   52   54   55 
LCS_GDT     N    83_D     N    83_D      4    5   26      3    4    5    5    6    7    9   16   23   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     K    84_D     K    84_D      4    5   26      3    4    5    5    6    7   11   17   26   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     E    85_D     E    85_D      3    5   26      3    3    3    3    4    5    9   11   17   25   34   35   38   40   41   44   47   52   54   55 
LCS_GDT     L    86_D     L    86_D      4    6   26      3    3    4    5    6    8   11   14   17   20   22   29   38   40   41   44   47   52   56   59 
LCS_GDT     E    87_D     E    87_D      4    6   26      3    3    4    5    7   10   12   14   17   20   22   25   29   32   34   42   44   49   54   59 
LCS_GDT     D    88_D     D    88_D      4    6   38      3    3    4    5    8   10   13   15   17   20   22   25   29   35   40   44   47   52   56   59 
LCS_GDT     I    89_D     I    89_D      4    6   38      3    3    4    5    8   10   13   15   17   20   31   35   38   40   41   44   47   52   56   59 
LCS_GDT     Y    90_D     Y    90_D      3    6   38      3    3    3    5    6    8   10   14   17   18   22   24   29   32   35   44   47   52   56   59 
LCS_GDT     D    91_D     D    91_D      4    6   38      3    3    4    4    6    8   10   14   17   17   21   24   29   32   38   44   47   52   56   59 
LCS_GDT     L    92_D     L    92_D      6    6   38      3    4    6    6    6    7    8   11   14   17   19   22   28   36   41   44   47   52   56   59 
LCS_GDT     S    93_D     S    93_D      6    6   38      3    4    6    6    6    6    7   10   11   14   17   22   24   29   36   44   47   52   56   59 
LCS_GDT     N    94_D     N    94_D      6    6   38      3    4    6    6    6   13   20   24   29   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     K    95_D     K    95_D      6    6   38      3    4    6    6   14   15   19   23   29   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     E    96_D     E    96_D      6   29   38      4    4    6    6    6    7   17   20   21   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     E    97_D     E    97_D      6   29   38      4    4    6   16   23   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     T    98_D     T    98_D     26   29   38      4   22   26   26   26   26   28   30   30   31   32   34   38   40   41   42   47   49   53   57 
LCS_GDT     K    99_D     K    99_D     26   29   38      9   22   26   26   26   27   28   30   30   31   33   35   38   40   41   43   47   52   56   59 
LCS_GDT     E   100_D     E   100_D     26   29   38     13   22   26   26   26   27   28   30   30   31   34   35   38   43   45   47   50   54   57   59 
LCS_GDT     V   101_D     V   101_D     26   29   38     13   22   26   26   26   27   28   30   30   31   34   38   39   43   45   49   50   54   57   59 
LCS_GDT     L   102_D     L   102_D     26   29   38     13   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     K   103_D     K   103_D     26   29   38     13   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     K   104_D     K   104_D     26   29   38     13   22   26   26   26   27   28   30   30   31   34   35   38   40   44   46   51   54   57   59 
LCS_GDT     F   105_D     F   105_D     26   29   38     13   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   48   52   56   59 
LCS_GDT     K   106_D     K   106_D     26   29   38     13   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     E   107_D     E   107_D     26   29   38     13   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     K   108_D     K   108_D     26   29   38     13   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     V   109_D     V   109_D     26   29   38     13   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     N   110_D     N   110_D     26   29   38     13   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     Q   111_D     Q   111_D     26   29   38     13   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     F   112_D     F   112_D     26   29   38     12   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     Y   113_D     Y   113_D     26   29   38      6   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     R   114_D     R   114_D     26   29   38      6   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     H   115_D     H   115_D     26   29   38      6   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     A   116_D     A   116_D     26   29   38      6   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     F   117_D     F   117_D     26   29   38      4   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     D   118_D     D   118_D     26   29   38     12   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     I   119_D     I   119_D     26   29   38     13   22   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     I   120_D     I   120_D     26   29   38      6   20   26   26   26   27   28   30   30   31   34   35   38   40   41   43   47   52   56   59 
LCS_GDT     N   121_D     N   121_D     26   29   38      6   20   26   26   26   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     K   122_D     K   122_D     26   29   38      7   20   26   26   26   27   28   30   30   31   34   35   38   40   41   43   47   52   56   59 
LCS_GDT     Y   123_D     Y   123_D     26   29   38      6   17   26   26   26   27   28   30   30   31   34   35   38   40   41   43   47   52   56   59 
LCS_GDT     G   124_D     G   124_D      5   29   38      3    4    5   14   23   27   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_GDT     L   125_D     L   125_D      5   29   38      0    5   11   12   18   26   28   30   30   31   34   35   38   40   41   44   47   52   56   59 
LCS_AVERAGE  LCS_A:  26.24  (  14.15   23.34   41.23 )

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     15     22     27     34     40     45     50     53     54     56     57     58     60     61     64     64     64     64     64     65 
GDT PERCENT_AT  12.10  17.74  21.77  27.42  32.26  36.29  40.32  42.74  43.55  45.16  45.97  46.77  48.39  49.19  51.61  51.61  51.61  51.61  51.61  52.42
GDT RMS_LOCAL    0.33   0.47   0.76   1.24   1.48   1.77   2.06   2.21   2.26   2.42   2.64   2.70   3.14   3.29   3.61   3.61   3.61   3.61   3.61   3.91
GDT RMS_ALL_AT  26.69  26.72  26.66  24.36  24.30  24.19  24.95  24.72  24.59  24.57  24.91  24.78  25.42  25.56  25.53  25.53  25.53  25.53  25.53  25.49

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  E     4_D      E     4_D
#   possible swapping detected:  E     8_D      E     8_D
#   possible swapping detected:  F    10_D      F    10_D
#   possible swapping detected:  F    14_D      F    14_D
#   possible swapping detected:  D    27_D      D    27_D
#   possible swapping detected:  E    32_D      E    32_D
#   possible swapping detected:  Y    54_D      Y    54_D
#   possible swapping detected:  D    60_D      D    60_D
#   possible swapping detected:  E    63_D      E    63_D
#   possible swapping detected:  F    81_D      F    81_D
#   possible swapping detected:  E    85_D      E    85_D
#   possible swapping detected:  D    88_D      D    88_D
#   possible swapping detected:  E    96_D      E    96_D
#   possible swapping detected:  E   100_D      E   100_D
#   possible swapping detected:  E   107_D      E   107_D
#   possible swapping detected:  Y   113_D      Y   113_D
#   possible swapping detected:  D   118_D      D   118_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D     5.222     0    0.600   1.151     6.393   27.976   29.524
LGA    K     3_D      K     3_D     3.749     0    0.061   1.719     8.969   46.905   35.556
LGA    E     4_D      E     4_D     2.516     0    0.038   1.002     5.456   57.262   45.238
LGA    I     5_D      I     5_D     3.181     0    0.033   0.062     5.220   53.571   44.762
LGA    A     6_D      A     6_D     2.897     0    0.029   0.051     3.303   61.190   58.952
LGA    K     7_D      K     7_D     1.436     0    0.044   1.013     4.998   83.810   70.529
LGA    E     8_D      E     8_D     1.167     0    0.049   0.820     5.204   81.429   63.122
LGA    I     9_D      I     9_D     1.746     0    0.030   1.582     4.170   72.857   66.607
LGA    F    10_D      F    10_D     1.275     0    0.062   1.395     7.849   85.952   52.338
LGA    N    11_D      N    11_D     0.430     0    0.038   0.270     0.883   97.619   96.429
LGA    M    12_D      M    12_D     1.004     0    0.025   0.482     4.717   88.214   70.000
LGA    M    13_D      M    13_D     0.927     0    0.038   0.941     3.174   92.857   82.143
LGA    F    14_D      F    14_D     0.647     0    0.079   1.196     4.975   92.857   68.701
LGA    M    15_D      M    15_D     0.834     0    0.037   1.605     6.937   90.595   68.512
LGA    L    16_D      L    16_D     0.575     0    0.113   1.536     4.508   92.857   74.226
LGA    L    17_D      L    17_D     0.753     0    0.064   1.368     4.629   90.595   73.690
LGA    W    18_D      W    18_D     2.085     0    0.019   0.890    10.646   67.024   28.844
LGA    R    19_D      R    19_D     2.452     0    0.087   1.416     6.478   61.071   48.398
LGA    V    20_D      V    20_D     0.985     0    0.052   0.095     1.778   81.548   86.803
LGA    F    21_D      F    21_D     2.359     0    0.033   1.090     3.747   57.738   54.935
LGA    R    22_D      R    22_D     3.945     0    0.109   1.233    11.988   39.167   21.472
LGA    S    23_D      S    23_D     3.737     0    0.246   0.236     4.504   42.024   41.429
LGA    Q    24_D      Q    24_D     3.812     0    0.604   1.282     6.656   36.071   35.450
LGA    R    25_D      R    25_D     6.393     0    0.144   1.274    17.053   28.214   10.649
LGA    I    26_D      I    26_D     1.542     0    0.171   0.890     6.606   54.524   45.238
LGA    D    27_D      D    27_D     2.024     0    0.491   1.371     4.374   67.262   55.476
LGA    A    28_D      A    28_D     3.780     0    0.055   0.066     6.703   51.905   44.190
LGA    N    29_D      N    29_D     1.141     0    0.230   0.841     4.139   75.476   68.929
LGA    N    30_D      N    30_D     2.832     0    0.416   1.246     4.377   60.952   58.988
LGA    V    31_D      V    31_D     2.942     0    0.040   0.130     3.874   55.357   52.109
LGA    E    32_D      E    32_D     2.766     0    0.079   1.148     6.172   60.952   47.566
LGA    L    33_D      L    33_D     2.055     0    0.036   1.006     5.424   68.810   58.452
LGA    I    34_D      I    34_D     1.869     0    0.026   0.743     3.729   72.976   66.190
LGA    K    35_D      K    35_D     1.789     0    0.029   1.324     7.551   72.857   51.217
LGA    F    36_D      F    36_D     1.587     0    0.051   0.194     1.821   77.143   74.416
LGA    N    37_D      N    37_D     1.087     0    0.101   1.124     2.442   81.429   79.524
LGA    I    38_D      I    38_D     1.139     0    0.037   0.575     2.703   83.690   77.381
LGA    R    39_D      R    39_D     0.757     0    0.067   1.144     3.693   90.476   79.004
LGA    V    40_D      V    40_D     0.792     0    0.029   1.178     2.328   90.476   81.837
LGA    L    41_D      L    41_D     1.094     0    0.054   0.920     1.954   83.690   81.548
LGA    D    42_D      D    42_D     1.364     0    0.045   0.104     2.136   79.286   76.131
LGA    W    43_D      W    43_D     0.917     0    0.030   1.366     9.154   88.214   48.503
LGA    I    44_D      I    44_D     0.605     0    0.068   0.742     4.626   90.476   77.560
LGA    M    45_D      M    45_D     1.777     0    0.060   0.761     3.936   72.976   66.250
LGA    A    46_D      A    46_D     2.270     0    0.048   0.057     2.467   66.786   66.381
LGA    E    47_D      E    47_D     1.594     0    0.039   1.046     3.521   75.000   72.434
LGA    A    48_D      A    48_D     1.066     0    0.050   0.055     1.626   77.143   78.000
LGA    D    49_D      D    49_D     2.823     0    0.080   0.305     3.911   57.262   51.131
LGA    N    50_D      N    50_D     3.352     0    0.054   0.131     5.040   53.571   44.762
LGA    D    51_D      D    51_D     1.964     0    0.051   0.505     3.792   72.976   65.298
LGA    L    52_D      L    52_D     1.480     0    0.127   1.331     4.143   77.143   69.524
LGA    C    53_D      C    53_D     3.799     0    0.019   0.154     5.307   45.238   39.762
LGA    Y    54_D      Y    54_D     4.476     0    0.026   1.542    15.137   40.238   16.627
LGA    F    55_D      F    55_D     2.767     0    0.488   1.540     5.960   63.333   50.260
LGA    I    56_D      I    56_D     2.848     0    0.523   1.308     4.968   59.286   50.893
LGA    G    57_D      G    57_D     4.993     0    0.268   0.268     4.993   44.405   44.405
LGA    T    58_D      T    58_D     3.358     0    0.268   0.247     5.324   39.167   41.020
LGA    H    59_D      H    59_D     7.699     0    0.551   1.152    11.227   10.714    4.333
LGA    D    60_D      D    60_D     9.669     0    0.528   1.325    14.221    1.071    0.536
LGA    K    61_D      K    61_D    10.194     0    0.433   1.024    14.261    0.119    0.053
LGA    C    62_D      C    62_D     9.371     0    0.025   0.713    10.438    0.952    1.111
LGA    E    63_D      E    63_D    10.645     0    0.582   1.217    12.987    0.476    0.212
LGA    N    64_D      N    64_D    10.347     0    0.141   0.722    13.544    0.119    0.060
LGA    P    65_D      P    65_D     8.010     0    0.588   0.515    11.167    3.095    9.184
LGA    K    66_D      K    66_D    12.669     0    0.637   1.508    19.323    0.000    0.000
LGA    E    67_D      E    67_D    17.372     0    0.584   1.114    19.913    0.000    0.000
LGA    Q    68_D      Q    68_D    19.584     0    0.541   1.436    23.693    0.000    0.000
LGA    W    69_D      W    69_D    22.302     0    0.565   0.790    24.368    0.000    0.000
LGA    V    70_D      V    70_D    27.684     0    0.105   1.074    30.725    0.000    0.000
LGA    A    71_D      A    71_D    30.437     0    0.049   0.063    30.717    0.000    0.000
LGA    N    72_D      N    72_D    26.262     0    0.033   1.131    27.786    0.000    0.000
LGA    Y    73_D      Y    73_D    28.947     0    0.039   0.978    31.978    0.000    0.000
LGA    Q    74_D      Q    74_D    34.599     0    0.064   1.341    37.873    0.000    0.000
LGA    N    75_D      N    75_D    32.925     0    0.037   1.003    33.536    0.000    0.000
LGA    L    76_D      L    76_D    29.925     0    0.055   1.331    32.173    0.000    0.000
LGA    N    77_D      N    77_D    35.643     0    0.076   1.399    39.414    0.000    0.000
LGA    N    78_D      N    78_D    38.601     0    0.346   0.314    42.962    0.000    0.000
LGA    V    79_D      V    79_D    34.335     0    0.441   1.360    35.228    0.000    0.000
LGA    V    80_D      V    80_D    35.644     0    0.613   0.629    38.653    0.000    0.000
LGA    F    81_D      F    81_D    39.865     0    0.536   0.551    43.385    0.000    0.000
LGA    T    82_D      T    82_D    45.972     0    0.653   1.050    47.824    0.000    0.000
LGA    N    83_D      N    83_D    46.509     0    0.294   1.295    48.426    0.000    0.000
LGA    K    84_D      K    84_D    50.029     0    0.568   0.841    55.824    0.000    0.000
LGA    E    85_D      E    85_D    46.697     0    0.544   0.596    49.131    0.000    0.000
LGA    L    86_D      L    86_D    40.733     0    0.631   1.014    42.755    0.000    0.000
LGA    E    87_D      E    87_D    43.403     0    0.591   1.619    47.694    0.000    0.000
LGA    D    88_D      D    88_D    43.863     0    0.312   1.097    49.894    0.000    0.000
LGA    I    89_D      I    89_D    37.687     0    0.226   1.300    40.086    0.000    0.000
LGA    Y    90_D      Y    90_D    35.912     0    0.587   1.378    38.283    0.000    0.000
LGA    D    91_D      D    91_D    40.567     0    0.633   1.315    41.700    0.000    0.000
LGA    L    92_D      L    92_D    40.787     0    0.060   1.091    44.716    0.000    0.000
LGA    S    93_D      S    93_D    34.262     0    0.059   0.116    36.788    0.000    0.000
LGA    N    94_D      N    94_D    33.519     0    0.262   1.072    37.773    0.000    0.000
LGA    K    95_D      K    95_D    35.505     0    0.054   0.976    46.471    0.000    0.000
LGA    E    96_D      E    96_D    30.297     0    0.610   1.179    33.220    0.000    0.000
LGA    E    97_D      E    97_D    25.485     0    0.073   1.046    26.991    0.000    0.000
LGA    T    98_D      T    98_D    24.592     0    0.581   0.548    25.971    0.000    0.000
LGA    K    99_D      K    99_D    29.335     0    0.092   1.136    37.063    0.000    0.000
LGA    E   100_D      E   100_D    24.248     0    0.040   0.870    25.689    0.000    0.000
LGA    V   101_D      V   101_D    20.635     0    0.046   0.912    22.609    0.000    0.000
LGA    L   102_D      L   102_D    26.950     0    0.025   1.397    31.157    0.000    0.000
LGA    K   103_D      K   103_D    29.131     0    0.045   0.755    35.862    0.000    0.000
LGA    K   104_D      K   104_D    23.626     0    0.050   1.191    25.207    0.000    0.000
LGA    F   105_D      F   105_D    23.942     0    0.038   1.379    26.265    0.000    0.000
LGA    K   106_D      K   106_D    30.841     0    0.039   1.083    41.390    0.000    0.000
LGA    E   107_D      E   107_D    30.638     0    0.034   1.058    31.035    0.000    0.000
LGA    K   108_D      K   108_D    25.468     0    0.038   1.197    26.860    0.000    0.000
LGA    V   109_D      V   109_D    28.542     0    0.047   0.094    31.101    0.000    0.000
LGA    N   110_D      N   110_D    34.901     0    0.051   1.106    36.888    0.000    0.000
LGA    Q   111_D      Q   111_D    32.348     0    0.061   1.056    32.656    0.000    0.000
LGA    F   112_D      F   112_D    28.574     0    0.026   1.117    30.993    0.000    0.000
LGA    Y   113_D      Y   113_D    34.251     0    0.055   0.542    37.040    0.000    0.000
LGA    R   114_D      R   114_D    39.075     0    0.048   1.142    43.139    0.000    0.000
LGA    H   115_D      H   115_D    34.911     0    0.031   1.285    36.048    0.000    0.000
LGA    A   116_D      A   116_D    33.620     0    0.043   0.068    36.773    0.000    0.000
LGA    F   117_D      F   117_D    40.522     0    0.106   0.465    43.165    0.000    0.000
LGA    D   118_D      D   118_D    43.032     0    0.069   1.098    43.699    0.000    0.000
LGA    I   119_D      I   119_D    38.740     0    0.013   0.637    40.878    0.000    0.000
LGA    I   120_D      I   120_D    41.256     0    0.052   0.737    44.958    0.000    0.000
LGA    N   121_D      N   121_D    47.978     0    0.037   1.358    51.093    0.000    0.000
LGA    K   122_D      K   122_D    47.447     0    0.106   0.894    49.152    0.000    0.000
LGA    Y   123_D      Y   123_D    45.020     0    0.668   1.236    45.123    0.000    0.000
LGA    G   124_D      G   124_D    45.822     0    0.282   0.282    48.296    0.000    0.000
LGA    L   125_D      L   125_D    50.906     0    0.456   1.157    53.378    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    1059   1059  100.00               124
SUMMARY(RMSD_GDC):    14.694         14.710                 15.431           31.423   26.813

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     53    2.21    34.879    33.395     2.296

LGA_LOCAL      RMSD:   2.208  Number of atoms:   53  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.716  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  14.694  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.464530 * X  +   0.877770 * Y  +  -0.117182 * Z  + -30.423904
  Y_new =   0.869392 * X  +  -0.477208 * Y  +  -0.128181 * Z  + -51.448891
  Z_new =  -0.168433 * X  +  -0.042333 * Y  +  -0.984804 * Z  + 111.568672 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.080074  0.169240 -3.098633   [DEG:   61.8837    9.6967 -177.5386 ]
ZXZ: -0.740600  2.967036 -1.817030   [DEG:  -42.4333  169.9986 -104.1081 ]
 
# END of job
