
#######################################################
#                                                     #
#                        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 ( 1076),  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:    65       2_D - 66_D        4.43    25.19
  LCS_AVERAGE:     45.88

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    60       2_D - 61_D        1.95    26.17
  LCS_AVERAGE:     31.63

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      95_D - 124_D       0.76    20.80
  LCS_AVERAGE:     15.45

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   60   65     16   31   40   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     K     3_D     K     3_D     24   60   65     14   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     E     4_D     E     4_D     24   60   65     14   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     I     5_D     I     5_D     24   60   65     16   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     A     6_D     A     6_D     24   60   65     16   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     K     7_D     K     7_D     24   60   65     16   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     E     8_D     E     8_D     24   60   65     16   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     I     9_D     I     9_D     24   60   65     16   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     F    10_D     F    10_D     24   60   65     13   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     N    11_D     N    11_D     24   60   65     13   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     M    12_D     M    12_D     24   60   65     16   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     M    13_D     M    13_D     24   60   65     16   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     F    14_D     F    14_D     24   60   65     16   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     M    15_D     M    15_D     24   60   65     16   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     L    16_D     L    16_D     24   60   65     16   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     L    17_D     L    17_D     24   60   65     12   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     W    18_D     W    18_D     24   60   65      6   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     R    19_D     R    19_D     24   60   65     16   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     V    20_D     V    20_D     24   60   65     16   30   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     F    21_D     F    21_D     24   60   65     16   25   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     R    22_D     R    22_D     24   60   65     16   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     S    23_D     S    23_D     24   60   65      4   25   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     Q    24_D     Q    24_D     24   60   65      6   25   40   46   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     R    25_D     R    25_D     24   60   65      4   25   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     I    26_D     I    26_D      3   60   65      3    3    5   11   48   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     D    27_D     D    27_D      5   60   65      3   13   35   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     A    28_D     A    28_D      5   60   65      4    5    5    7   10   36   56   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     N    29_D     N    29_D      5   60   65     16   25   30   39   47   51   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     N    30_D     N    30_D     26   60   65      7   11   20   36   48   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     V    31_D     V    31_D     26   60   65     10   21   40   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     E    32_D     E    32_D     26   60   65     10   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     L    33_D     L    33_D     26   60   65     10   30   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     I    34_D     I    34_D     26   60   65     10   30   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     K    35_D     K    35_D     26   60   65     10   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     F    36_D     F    36_D     26   60   65     11   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     N    37_D     N    37_D     26   60   65     11   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     I    38_D     I    38_D     26   60   65     11   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     R    39_D     R    39_D     26   60   65     11   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     V    40_D     V    40_D     26   60   65     12   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     L    41_D     L    41_D     26   60   65     11   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     D    42_D     D    42_D     26   60   65     11   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     W    43_D     W    43_D     26   60   65     12   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     I    44_D     I    44_D     26   60   65     11   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     M    45_D     M    45_D     26   60   65     11   30   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     A    46_D     A    46_D     26   60   65     12   31   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     E    47_D     E    47_D     26   60   65     11   30   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     A    48_D     A    48_D     26   60   65     11   26   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     D    49_D     D    49_D     26   60   65     10   24   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     N    50_D     N    50_D     26   60   65     10   25   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     D    51_D     D    51_D     26   60   65     11   25   41   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     L    52_D     L    52_D     26   60   65     10   22   38   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     C    53_D     C    53_D     26   60   65     10   20   35   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     Y    54_D     Y    54_D     26   60   65     10   21   34   47   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     F    55_D     F    55_D     26   60   65      4   21   29   44   49   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     I    56_D     I    56_D     25   60   65      3   10   28   39   48   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     G    57_D     G    57_D      4   60   65      3    4   18   37   48   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     T    58_D     T    58_D      4   60   65      3    4    4    4   41   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     H    59_D     H    59_D      4   60   65      3    4    8   27   48   51   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     D    60_D     D    60_D      4   60   65      3    4   23   35   48   54   57   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     K    61_D     K    61_D      4   60   65      3    4    6   13   36   49   56   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     C    62_D     C    62_D      4    5   65      3    4    6    7   21   45   54   58   60   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     E    63_D     E    63_D      4    5   65      3    5    8   18   25   36   46   56   59   61   61   62   62   62   62   62   62   63   63   63 
LCS_GDT     N    64_D     N    64_D      4    5   65      3    5    6    7    7    9   11   18   22   30   38   47   55   59   60   62   62   63   63   63 
LCS_GDT     P    65_D     P    65_D      4    5   65      3    5    6    7    8   10   11   14   16   24   32   38   45   50   57   59   61   62   63   63 
LCS_GDT     K    66_D     K    66_D      4    5   65      3    5    6    7    7   10   11   13   15   19   22   26   29   30   32   36   40   45   51   55 
LCS_GDT     E    67_D     E    67_D      3    5   18      1    3    3    4    6   10   11   13   15   19   22   26   29   30   31   34   37   42   46   50 
LCS_GDT     Q    68_D     Q    68_D      3    5   18      0    3    3    4    5   10   11   13   15   19   22   24   29   30   31   34   37   41   44   47 
LCS_GDT     W    69_D     W    69_D      3    6   18      3    3    4    6   10   11   12   16   17   21   26   28   29   31   33   35   38   41   46   47 
LCS_GDT     V    70_D     V    70_D      3   10   18      3    3    4    7   10   13   13   16   17   21   26   28   29   31   33   35   38   41   46   47 
LCS_GDT     A    71_D     A    71_D      4   11   18      3    4    4    7   10   13   13   16   17   21   26   28   29   31   33   35   38   41   44   47 
LCS_GDT     N    72_D     N    72_D      4   11   18      3    4    4    8   10   13   13   14   17   21   26   28   29   31   33   35   38   41   44   47 
LCS_GDT     Y    73_D     Y    73_D      8   11   18      7    8    9    9   10   13   13   14   16   21   26   28   31   38   41   44   46   49   53   57 
LCS_GDT     Q    74_D     Q    74_D      8   11   52      7    8    9    9   10   13   13   14   16   21   26   28   33   38   41   44   47   50   53   57 
LCS_GDT     N    75_D     N    75_D      8   11   52      7    8    9    9   10   13   13   14   16   20   26   28   29   31   39   42   45   48   53   57 
LCS_GDT     L    76_D     L    76_D      8   11   52      7    8    9    9   10   13   13   14   16   18   28   32   41   46   48   51   52   54   55   57 
LCS_GDT     N    77_D     N    77_D      8   11   52      7    8    9    9   10   13   13   22   29   35   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     N    78_D     N    78_D      8   11   52      7    8    9    9   10   13   13   14   16   26   31   41   46   47   50   51   52   54   55   57 
LCS_GDT     V    79_D     V    79_D      8   11   52      7    8    9    9   10   13   13   14   16   18   19   29   34   38   40   50   52   54   55   57 
LCS_GDT     V    80_D     V    80_D      8   11   52      7    8    9    9   10   13   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     F    81_D     F    81_D      4   11   52      3    4    9   15   25   31   33   35   35   37   39   41   44   47   49   51   52   54   55   57 
LCS_GDT     T    82_D     T    82_D      4   11   52      3    4    4    6    9   18   30   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     N    83_D     N    83_D      4    4   52      4    7   15   26   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     K    84_D     K    84_D      4    4   52      3    7   14   21   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     E    85_D     E    85_D      3    4   52      3    3    3    5    8   16   20   26   33   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     L    86_D     L    86_D      4    6   52      3    3    4   10   12   14   17   22   27   34   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     E    87_D     E    87_D      4    6   52      3    3    6    8   12   14   17   19   27   33   37   41   46   47   50   51   52   54   55   57 
LCS_GDT     D    88_D     D    88_D      4    6   52      3    4    6   10   12   14   18   23   31   36   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     I    89_D     I    89_D      4    6   52      3    4    6   10   14   24   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     Y    90_D     Y    90_D      3    6   52      3    3    3    6   12   14   17   22   31   36   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     D    91_D     D    91_D      4    6   52      3    4    4    6   11   14   17   21   27   34   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     L    92_D     L    92_D      4    4   52      3    4    4    4    5    6    9   17   26   34   39   44   46   47   50   51   52   54   55   57 
LCS_GDT     S    93_D     S    93_D      4    4   52      3    4    4    4    5    7   10   14   26   34   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     N    94_D     N    94_D      4   32   52      3    4    5   10   13   24   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     K    95_D     K    95_D     30   32   52     14   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     E    96_D     E    96_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     E    97_D     E    97_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     T    98_D     T    98_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     K    99_D     K    99_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     E   100_D     E   100_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     V   101_D     V   101_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     L   102_D     L   102_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     K   103_D     K   103_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     K   104_D     K   104_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     F   105_D     F   105_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     K   106_D     K   106_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     E   107_D     E   107_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     K   108_D     K   108_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     V   109_D     V   109_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     N   110_D     N   110_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     Q   111_D     Q   111_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     F   112_D     F   112_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     Y   113_D     Y   113_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     R   114_D     R   114_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     H   115_D     H   115_D     30   32   52     13   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     A   116_D     A   116_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     F   117_D     F   117_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     D   118_D     D   118_D     30   32   52     15   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     I   119_D     I   119_D     30   32   52     21   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     I   120_D     I   120_D     30   32   52     18   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     N   121_D     N   121_D     30   32   52     12   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     K   122_D     K   122_D     30   32   52      6   28   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     Y   123_D     Y   123_D     30   32   52      4   26   29   29   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     G   124_D     G   124_D     30   32   52      3    4    4   20   31   32   33   35   35   37   42   44   46   47   50   51   52   54   55   57 
LCS_GDT     L   125_D     L   125_D      3   32   52      3    3    3   12   20   31   33   35   35   37   39   41   43   45   49   51   52   53   55   56 
LCS_AVERAGE  LCS_A:  30.99  (  15.45   31.63   45.88 )

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     21     31     41     47     49     54     57     58     60     61     61     62     62     62     62     62     62     63     63     63 
GDT PERCENT_AT  16.94  25.00  33.06  37.90  39.52  43.55  45.97  46.77  48.39  49.19  49.19  50.00  50.00  50.00  50.00  50.00  50.00  50.81  50.81  50.81
GDT RMS_LOCAL    0.32   0.74   0.98   1.18   1.26   1.56   1.71   1.78   1.95   2.07   2.07   2.31   2.31   2.31   2.31   2.31   2.31   2.88   2.88   2.88
GDT RMS_ALL_AT  20.73  26.81  26.52  26.47  26.39  26.32  26.31  26.24  26.17  26.09  26.09  25.95  25.95  25.95  25.95  25.95  25.95  25.74  25.74  25.74

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  F    14_D      F    14_D
#   possible swapping detected:  Y    54_D      Y    54_D
#   possible swapping detected:  E    67_D      E    67_D
#   possible swapping detected:  Y    73_D      Y    73_D
#   possible swapping detected:  F    81_D      F    81_D
#   possible swapping detected:  E    87_D      E    87_D
#   possible swapping detected:  Y    90_D      Y    90_D
#   possible swapping detected:  D    91_D      D    91_D
#   possible swapping detected:  E    96_D      E    96_D
#   possible swapping detected:  E    97_D      E    97_D
#   possible swapping detected:  E   100_D      E   100_D
#   possible swapping detected:  F   105_D      F   105_D
#   possible swapping detected:  E   107_D      E   107_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     2.396     0    0.044   0.261     2.945   62.857   63.869
LGA    K     3_D      K     3_D     1.621     0    0.047   0.800     5.068   77.143   63.757
LGA    E     4_D      E     4_D     1.354     0    0.075   0.194     1.688   79.286   79.524
LGA    I     5_D      I     5_D     1.289     0    0.035   0.084     1.341   81.429   84.821
LGA    A     6_D      A     6_D     1.400     0    0.020   0.031     1.444   81.429   81.429
LGA    K     7_D      K     7_D     1.449     0    0.023   1.141     5.059   81.429   63.862
LGA    E     8_D      E     8_D     1.197     0    0.042   0.143     2.099   85.952   79.683
LGA    I     9_D      I     9_D     0.830     0    0.023   0.113     0.990   90.476   90.476
LGA    F    10_D      F    10_D     1.267     0    0.079   1.399     6.430   81.429   58.658
LGA    N    11_D      N    11_D     1.298     0    0.026   0.889     2.781   85.952   77.500
LGA    M    12_D      M    12_D     0.389     0    0.055   0.916     4.347   97.619   87.560
LGA    M    13_D      M    13_D     0.477     0    0.024   0.832     2.237   95.238   85.238
LGA    F    14_D      F    14_D     1.057     0    0.133   1.181     7.093   90.595   54.502
LGA    M    15_D      M    15_D     0.219     0    0.014   0.573     1.049   97.619   94.107
LGA    L    16_D      L    16_D     0.563     0    0.056   0.072     0.751   92.857   91.667
LGA    L    17_D      L    17_D     0.836     0    0.052   1.328     3.940   85.952   72.857
LGA    W    18_D      W    18_D     1.416     0    0.028   0.294     4.932   79.286   57.585
LGA    R    19_D      R    19_D     1.284     0    0.049   1.384     4.314   77.143   69.654
LGA    V    20_D      V    20_D     1.447     0    0.028   0.097     1.829   77.143   77.755
LGA    F    21_D      F    21_D     1.661     0    0.053   0.962     6.203   72.857   52.121
LGA    R    22_D      R    22_D     1.190     0    0.036   0.953     5.348   81.429   59.827
LGA    S    23_D      S    23_D     1.828     0    0.094   0.592     2.763   72.857   71.667
LGA    Q    24_D      Q    24_D     2.184     0    0.207   1.080     4.331   70.833   62.751
LGA    R    25_D      R    25_D     1.292     0    0.602   1.362    10.577   75.119   43.333
LGA    I    26_D      I    26_D     2.983     0    0.123   1.158     6.244   57.262   52.440
LGA    D    27_D      D    27_D     1.945     0    0.320   0.955     3.935   66.786   64.226
LGA    A    28_D      A    28_D     4.321     0    0.705   0.639     6.163   35.357   31.714
LGA    N    29_D      N    29_D     3.933     0    0.212   0.989     8.596   40.714   26.488
LGA    N    30_D      N    30_D     3.145     0    0.363   0.495     6.704   59.167   41.250
LGA    V    31_D      V    31_D     2.028     0    0.073   0.925     4.515   70.952   61.361
LGA    E    32_D      E    32_D     1.146     0    0.027   0.860     3.170   85.952   71.852
LGA    L    33_D      L    33_D     0.966     0    0.028   1.424     5.215   90.476   69.524
LGA    I    34_D      I    34_D     1.071     0    0.043   0.674     1.630   83.690   79.345
LGA    K    35_D      K    35_D     1.348     0    0.005   0.578     2.422   81.429   73.069
LGA    F    36_D      F    36_D     1.191     0    0.064   0.078     1.888   81.429   79.091
LGA    N    37_D      N    37_D     0.658     0    0.001   0.445     1.447   90.476   88.214
LGA    I    38_D      I    38_D     1.278     0    0.025   0.633     2.153   81.429   77.202
LGA    R    39_D      R    39_D     1.677     0    0.039   0.932     3.906   77.143   67.359
LGA    V    40_D      V    40_D     1.064     0    0.055   0.054     1.261   85.952   86.599
LGA    L    41_D      L    41_D     0.821     0    0.048   1.355     4.392   85.952   72.083
LGA    D    42_D      D    42_D     1.343     0    0.018   0.261     2.259   81.429   76.131
LGA    W    43_D      W    43_D     1.243     0    0.025   0.225     1.400   83.690   82.075
LGA    I    44_D      I    44_D     0.758     0    0.010   0.063     0.803   90.476   90.476
LGA    M    45_D      M    45_D     0.813     0    0.029   0.790     2.025   90.476   83.929
LGA    A    46_D      A    46_D     1.041     0    0.022   0.025     1.287   88.214   86.857
LGA    E    47_D      E    47_D     1.024     0    0.049   0.326     2.656   88.214   78.042
LGA    A    48_D      A    48_D     0.847     0    0.011   0.019     1.089   88.214   88.667
LGA    D    49_D      D    49_D     1.024     0    0.026   0.156     1.786   83.690   82.619
LGA    N    50_D      N    50_D     0.935     0    0.032   0.174     1.401   85.952   87.083
LGA    D    51_D      D    51_D     1.050     0    0.010   0.040     1.543   81.548   86.012
LGA    L    52_D      L    52_D     1.691     0    0.014   0.126     2.417   72.976   71.905
LGA    C    53_D      C    53_D     2.077     0    0.014   0.714     4.228   66.786   62.857
LGA    Y    54_D      Y    54_D     2.342     0    0.012   1.305     7.077   60.952   47.262
LGA    F    55_D      F    55_D     3.091     0    0.488   1.460    11.658   57.262   26.710
LGA    I    56_D      I    56_D     3.088     0    0.462   1.120     6.990   57.381   45.595
LGA    G    57_D      G    57_D     2.755     0    0.191   0.191     3.239   55.357   55.357
LGA    T    58_D      T    58_D     3.153     0    0.148   0.237     5.490   55.476   46.054
LGA    H    59_D      H    59_D     3.505     0    0.361   1.466     6.076   55.595   36.095
LGA    D    60_D      D    60_D     3.571     0    0.132   0.312     6.032   39.762   37.560
LGA    K    61_D      K    61_D     5.380     0    0.242   1.071     6.702   26.071   24.762
LGA    C    62_D      C    62_D     6.411     0    0.666   0.579     9.034   11.786   20.317
LGA    E    63_D      E    63_D     9.410     0    0.596   1.289    11.424    2.143    1.852
LGA    N    64_D      N    64_D    15.630     0    0.252   0.331    21.351    0.000    0.000
LGA    P    65_D      P    65_D    18.822     0    0.720   0.662    21.944    0.000    0.000
LGA    K    66_D      K    66_D    25.434     0    0.129   1.135    31.450    0.000    0.000
LGA    E    67_D      E    67_D    30.780     0    0.115   1.165    36.024    0.000    0.000
LGA    Q    68_D      Q    68_D    30.651     0    0.590   0.721    35.216    0.000    0.000
LGA    W    69_D      W    69_D    30.613     0    0.612   1.227    35.055    0.000    0.000
LGA    V    70_D      V    70_D    36.298     0    0.113   0.127    39.441    0.000    0.000
LGA    A    71_D      A    71_D    38.511     0    0.604   0.589    40.066    0.000    0.000
LGA    N    72_D      N    72_D    35.341     0    0.423   0.391    37.863    0.000    0.000
LGA    Y    73_D      Y    73_D    33.048     0    0.202   1.130    36.106    0.000    0.000
LGA    Q    74_D      Q    74_D    39.457     0    0.060   0.968    47.784    0.000    0.000
LGA    N    75_D      N    75_D    37.757     0    0.030   0.172    40.252    0.000    0.000
LGA    L    76_D      L    76_D    33.498     0    0.033   0.672    35.414    0.000    0.000
LGA    N    77_D      N    77_D    38.907     0    0.020   0.923    43.418    0.000    0.000
LGA    N    78_D      N    78_D    42.077     0    0.064   0.114    46.639    0.000    0.000
LGA    V    79_D      V    79_D    36.881     0    0.075   0.816    38.302    0.000    0.000
LGA    V    80_D      V    80_D    36.350     0    0.595   0.544    39.475    0.000    0.000
LGA    F    81_D      F    81_D    39.542     0    0.559   0.552    43.132    0.000    0.000
LGA    T    82_D      T    82_D    46.281     0    0.644   0.538    47.907    0.000    0.000
LGA    N    83_D      N    83_D    48.346     0    0.288   0.847    52.445    0.000    0.000
LGA    K    84_D      K    84_D    51.039     0    0.600   1.008    55.768    0.000    0.000
LGA    E    85_D      E    85_D    47.097     0    0.589   1.077    48.763    0.000    0.000
LGA    L    86_D      L    86_D    43.347     0    0.663   1.413    44.829    0.000    0.000
LGA    E    87_D      E    87_D    48.095     0    0.603   0.920    55.473    0.000    0.000
LGA    D    88_D      D    88_D    46.982     0    0.388   0.411    52.158    0.000    0.000
LGA    I    89_D      I    89_D    39.907     0    0.188   1.278    42.531    0.000    0.000
LGA    Y    90_D      Y    90_D    40.456     0    0.589   1.337    43.389    0.000    0.000
LGA    D    91_D      D    91_D    45.278     0    0.609   1.076    46.534    0.000    0.000
LGA    L    92_D      L    92_D    43.633     0    0.030   0.122    47.637    0.000    0.000
LGA    S    93_D      S    93_D    37.556     0    0.449   0.665    39.962    0.000    0.000
LGA    N    94_D      N    94_D    36.267     0    0.203   1.142    40.344    0.000    0.000
LGA    K    95_D      K    95_D    35.738     0    0.612   0.988    37.723    0.000    0.000
LGA    E    96_D      E    96_D    34.511     0    0.042   1.298    40.241    0.000    0.000
LGA    E    97_D      E    97_D    27.291     0    0.036   0.983    29.712    0.000    0.000
LGA    T    98_D      T    98_D    29.140     0    0.016   0.114    30.890    0.000    0.000
LGA    K    99_D      K    99_D    34.966     0    0.009   0.817    44.798    0.000    0.000
LGA    E   100_D      E   100_D    31.659     0    0.012   1.359    32.506    0.000    0.000
LGA    V   101_D      V   101_D    25.718     0    0.069   0.819    27.738    0.000    0.000
LGA    L   102_D      L   102_D    30.379     0    0.016   0.290    33.966    0.000    0.000
LGA    K   103_D      K   103_D    34.929     0    0.019   0.789    43.643    0.000    0.000
LGA    K   104_D      K   104_D    29.890     0    0.000   0.486    31.367    0.000    0.000
LGA    F   105_D      F   105_D    26.677     0    0.028   1.433    28.752    0.000    0.000
LGA    K   106_D      K   106_D    33.294     0    0.054   0.819    44.420    0.000    0.000
LGA    E   107_D      E   107_D    35.109     0    0.036   1.035    38.521    0.000    0.000
LGA    K   108_D      K   108_D    28.744     0    0.012   1.208    30.630    0.000    0.000
LGA    V   109_D      V   109_D    28.842     0    0.026   0.039    31.252    0.000    0.000
LGA    N   110_D      N   110_D    35.992     0    0.009   0.513    39.812    0.000    0.000
LGA    Q   111_D      Q   111_D    35.291     0    0.035   0.889    35.504    0.000    0.000
LGA    F   112_D      F   112_D    29.481     0    0.032   1.425    31.181    0.000    0.000
LGA    Y   113_D      Y   113_D    33.300     0    0.036   0.630    35.907    0.000    0.000
LGA    R   114_D      R   114_D    39.464     0    0.026   0.967    46.033    0.000    0.000
LGA    H   115_D      H   115_D    36.471     0    0.021   1.214    36.876    0.000    0.000
LGA    A   116_D      A   116_D    32.123     0    0.025   0.034    34.191    0.000    0.000
LGA    F   117_D      F   117_D    37.345     0    0.056   0.685    40.429    0.000    0.000
LGA    D   118_D      D   118_D    42.573     0    0.023   1.190    47.060    0.000    0.000
LGA    I   119_D      I   119_D    38.611     0    0.024   0.138    39.796    0.000    0.000
LGA    I   120_D      I   120_D    37.625     0    0.028   0.126    40.902    0.000    0.000
LGA    N   121_D      N   121_D    44.826     0    0.050   0.820    49.358    0.000    0.000
LGA    K   122_D      K   122_D    46.955     0    0.043   0.646    50.326    0.000    0.000
LGA    Y   123_D      Y   123_D    42.433     0    0.120   0.264    45.170    0.000    0.000
LGA    G   124_D      G   124_D    40.840     0    0.113   0.113    41.640    0.000    0.000
LGA    L   125_D      L   125_D    40.499     0    0.236   1.459    41.889    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):    15.615         15.673                 16.306           36.867   32.937

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     58    1.78    39.919    39.702     3.084

LGA_LOCAL      RMSD:   1.780  Number of atoms:   58  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  26.241  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  15.615  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.903936 * X  +   0.387337 * Y  +  -0.181301 * Z  +  15.440044
  Y_new =   0.139437 * X  +   0.667690 * Y  +   0.731265 * Z  + -34.005623
  Z_new =   0.404298 * X  +   0.635736 * Y  +  -0.657558 * Z  +  59.730873 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.988544 -0.416211  2.373065   [DEG:  171.2309  -23.8472  135.9666 ]
ZXZ: -2.898565  2.288369  0.566437   [DEG: -166.0756  131.1139   32.4544 ]
 
# END of job
