
#######################################################
#                                                     #
#                        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  117 (  950),  selected  116 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  116 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41       6_B - 46_B        4.98    15.06
  LCS_AVERAGE:     30.23

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22       9_B - 30_B        1.83    14.77
  LCS_AVERAGE:     12.88

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16     101_B - 116_B       0.90    19.96
  LCS_AVERAGE:      7.09

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
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     T     2_C     T     2_B      3    8   13      3    3    7    8    9   10   11   14   16   18   21   27   37   41   45   49   54   56   59   62 
LCS_GDT     K     3_C     K     3_B      4    8   29      3    3    5    7    9   10   12   14   17   23   30   32   39   47   50   53   58   59   62   67 
LCS_GDT     S     4_C     S     4_B      4    8   29      4    5    5    7    9   10   12   16   23   28   36   40   45   48   51   53   58   59   62   67 
LCS_GDT     K     5_C     K     5_B      4    8   33      4    5    5    7    9   10   14   16   21   30   38   42   45   48   51   53   58   59   62   67 
LCS_GDT     M     6_C     M     6_B      4    8   41      4    5    5    7   14   18   24   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     L     7_C     L     7_B      4    8   41      4    5    9    9   10   11   15   16   19   21   40   42   44   49   50   53   54   58   62   67 
LCS_GDT     S     8_C     S     8_B      4   19   41      3    3    5    7   14   20   23   25   28   35   40   42   45   49   50   53   54   58   62   67 
LCS_GDT     N     9_C     N     9_B     12   22   41      8   11   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     I    10_C     I    10_B     12   22   41      5   11   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     V    11_C     V    11_B     12   22   41      8   12   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     I    12_C     I    12_B     12   22   41      8   12   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     Q    13_C     Q    13_B     12   22   41      8   12   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     E    14_C     E    14_B     12   22   41      8   12   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     V    15_C     V    15_B     12   22   41      8   12   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     K    16_C     K    16_B     12   22   41      8   12   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     F    17_C     F    17_B     12   22   41      8   12   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     A    18_C     A    18_B     12   22   41      8   12   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     I    19_C     I    19_B     12   22   41      3   10   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     E    20_C     E    20_B     12   22   41      4    9   13   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     D    21_C     D    21_B      9   22   41      3    6    9   14   15   22   25   30   34   38   39   42   45   48   51   53   58   59   62   67 
LCS_GDT     Y    22_C     Y    22_B      9   22   41      3    9   13   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     C    23_C     C    23_B      9   22   41      4   11   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     A    24_C     A    24_B      9   22   41      3    9   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     I    25_C     I    25_B      9   22   41      6   12   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     L    26_C     L    26_B      7   22   41      5   12   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     S    27_C     S    27_B      7   22   41      5    9   14   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     F    28_C     F    28_B      7   22   41      5    9   14   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     A    29_C     A    29_B      6   22   41      3   12   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     S    30_C     S    30_B      4   22   41      3    9   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     D    31_C     D    31_B      5   10   41      3    4    6    7    9   14   18   24   27   29   32   36   42   46   48   52   54   57   60   62 
LCS_GDT     S    32_C     S    32_B      6    8   41      4    4    5    7    8    9   10   12   12   15   17   19   22   28   33   39   42   46   51   56 
LCS_GDT     Y    33_C     Y    33_B      6    8   41      4    4    6    7   10   11   13   20   23   25   28   31   33   36   43   50   52   56   59   62 
LCS_GDT     E    34_C     E    34_B      6    8   41      4    4    6    7    8   10   13   17   18   21   28   31   37   42   44   51   54   57   60   62 
LCS_GDT     V    35_C     V    35_B      6    8   41      4    4    6    8   18   21   23   25   28   31   37   41   45   49   50   53   54   57   60   62 
LCS_GDT     P    36_C     P    36_B      6    8   41      5   11   15   18   22   24   25   30   34   38   40   42   45   49   51   53   58   59   61   67 
LCS_GDT     E    37_C     E    37_B      6   12   41      3    4    6    9   12   12   15   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     Q    38_C     Q    38_B      8   12   41      3    7    9   10   12   12   15   19   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     Y    39_C     Y    39_B      8   12   41      3    7    9   10   12   12   15   16   29   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     F    40_C     F    40_B      8   12   41      4    7    9   10   12   12   15   16   33   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     I    41_C     I    41_B      8   12   41      4    7    9   10   12   12   15   17   33   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     I    42_C     I    42_B      8   12   41      4    7    9   10   12   12   19   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     T    43_C     T    43_B      8   12   41      4    7    9   10   12   12   22   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     R    44_C     R    44_B      8   12   41      4    7    9   10   12   19   25   30   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     S    45_C     S    45_B      8   12   41      4    7    9   10   12   12   19   29   34   38   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     T    46_C     T    46_B      6   12   41      4    7    9   10   12   12   15   23   29   37   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     T    47_C     T    47_B      5   12   28      4    4    6   10   12   12   13   16   26   33   39   42   45   49   51   53   58   59   62   67 
LCS_GDT     E    48_C     E    48_B      5   12   28      4    4    5    8   12   12   13   15   19   26   32   38   45   49   51   53   58   59   62   67 
LCS_GDT     R    49_C     R    49_B      4   12   28      3    4    4    7    8   10   13   15   19   26   31   37   44   49   50   53   54   57   60   62 
LCS_GDT     S    50_C     S    50_B      4    5   28      3    4    4    4    9   11   12   12   16   19   22   25   30   35   37   44   48   52   57   59 
LCS_GDT     G    51_C     G    51_B      4    6   28      3    4    4    8   10   11   13   14   16   19   22   25   30   35   37   40   45   51   56   59 
LCS_GDT     G    52_C     G    52_B      5   11   28      3    5    5    8   10   11   13   13   15   19   22   25   30   35   41   50   53   55   60   67 
LCS_GDT     I    53_C     I    53_B      5   11   28      3    4    5    7   10   11   13   13   18   21   23   35   44   49   51   53   58   59   62   67 
LCS_GDT     P    54_C     P    54_B      5   11   28      3    4    5    6    9   11   13   13   18   21   23   33   43   48   50   53   55   58   62   67 
LCS_GDT     E    55_C     E    55_B      5   11   28      3    5    6    8   10   11   15   17   32   37   40   42   45   49   50   53   54   57   60   62 
LCS_GDT     G    56_C     G    56_B      5   11   28      3    5    6    8   10   11   13   17   26   31   37   41   44   46   49   52   54   57   60   62 
LCS_GDT     D    57_C     D    57_B      6   11   28      3    5    6    8   10   11   20   25   27   29   36   41   44   46   48   52   54   57   60   62 
LCS_GDT     I    58_C     I    58_B      6   11   28      3    5    6    8   10   11   13   17   23   29   36   41   44   46   50   53   54   57   60   62 
LCS_GDT     Y    59_C     Y    59_B      6   11   28      4    5    6    8   10   11   13   15   17   20   25   31   37   42   46   51   54   57   60   62 
LCS_GDT     L    60_C     L    60_B      6   11   28      4    5    6    8   10   11   13   16   23   29   31   36   39   45   48   52   54   57   60   62 
LCS_GDT     E    61_C     E    61_B      6   11   28      4    5    6    8   10   11   13   13   17   17   19   31   37   42   44   50   54   57   60   62 
LCS_GDT     S    62_C     S    62_B      6   11   28      4    5    6    8   10   11   13   20   23   25   28   31   37   42   44   50   54   57   60   62 
LCS_GDT     N    63_C     N    63_B      4   10   27      3    3    4   10   10   11   16   20   23   25   28   31   37   42   44   50   54   57   60   62 
LCS_GDT     L    64_C     L    64_B      4    6   25      3    3    4   10   10   12   15   20   24   29   30   34   39   45   48   52   54   57   60   62 
LCS_GDT     F    65_C     F    65_B      4    5   22      3    4    6   10   10   14   20   25   27   29   33   40   44   46   50   53   54   57   60   62 
LCS_GDT     L    66_C     L    66_B      4    6   15      3    5    9   10   10   19   24   30   34   38   40   42   45   49   50   53   55   58   62   67 
LCS_GDT     D    67_C     D    67_B      4    6   24      3    4    4   12   19   23   25   30   34   38   40   42   45   49   51   53   57   59   62   67 
LCS_GDT     F    68_C     F    68_B      5    6   33      3    4    5   19   21   24   25   27   28   31   39   42   45   48   51   53   58   59   62   67 
LCS_GDT     N    69_C     N    69_B      5    6   33      4    4    5    6    7    9   14   19   25   31   32   38   41   47   51   53   58   59   62   67 
LCS_GDT     P    70_C     P    70_B      5    6   33      4    4    5    5    7    8   10   11   17   21   25   27   29   32   39   43   46   51   56   59 
LCS_GDT     Y    71_C     Y    71_B      5    7   33      4    4    5    9   11   15   19   21   25   27   28   30   34   36   40   43   49   55   61   67 
LCS_GDT     G    72_C     G    72_B      5    7   33      4    4    5    9   11   15   19   21   25   27   28   32   37   47   49   52   58   59   62   67 
LCS_GDT     L    73_C     L    73_B      4    9   33      3    4    4    9   11   15   19   21   25   27   28   34   39   47   49   53   58   59   62   67 
LCS_GDT     S    74_C     S    74_B      8   14   33      3    5    8    9   13   16   19   21   25   27   30   33   39   47   50   53   58   59   62   67 
LCS_GDT     G    75_C     G    75_B      8   14   33      3    7    9   11   13   16   19   21   25   27   30   36   43   47   51   53   58   59   62   67 
LCS_GDT     Y    76_C     Y    76_B      8   14   33      3    7    9   11   13   16   19   21   25   29   36   41   45   48   51   53   58   59   62   67 
LCS_GDT     L    77_C     L    77_B      8   14   33      5    7    9   11   13   16   19   21   25   27   36   40   45   48   51   53   58   59   62   67 
LCS_GDT     L    78_C     L    78_B      8   14   33      5    7    9   11   13   16   19   21   25   27   32   35   41   45   51   53   58   59   62   67 
LCS_GDT     S    79_C     S    79_B      8   14   33      5    7    9   11   13   16   19   19   25   27   28   31   34   37   43   47   53   58   62   67 
LCS_GDT     E    80_C     E    80_B      8   14   33      5    7    9   11   13   16   19   19   20   25   27   28   33   35   39   43   48   54   59   61 
LCS_GDT     P    81_C     P    81_B      8   14   33      5    7    9   11   12   16   19   19   20   20   24   28   33   35   37   41   45   49   53   57 
LCS_GDT     N    82_C     N    82_B      8   14   35      4    7    8   11   13   16   19   20   25   27   27   28   33   35   37   41   45   49   51   54 
LCS_GDT     C    83_C     C    83_B      8   14   35      4    7    9   11   13   16   19   20   25   27   27   28   33   35   37   41   45   52   55   60 
LCS_GDT     V    84_C     V    84_B      8   14   35      4    7    9   11   13   16   19   21   25   27   27   28   33   35   39   44   49   56   60   66 
LCS_GDT     D    85_C     D    85_B      8   14   35      4    7    8    9   13   16   19   21   25   27   28   31   33   36   43   47   53   58   62   67 
LCS_GDT     L    86_C     L    86_B      8   14   35      4    7    8   11   13   16   19   22   27   31   32   37   44   48   51   53   58   59   62   67 
LCS_GDT     L    87_C     L    87_B      8   14   35      4    7    8    8   11   16   19   21   25   27   27   34   35   39   43   52   58   59   62   67 
LCS_GDT     I    88_C     I    88_B      8   10   35      4    7    8    9   14   19   23   27   28   31   32   34   37   47   50   53   58   59   62   67 
LCS_GDT     E    89_C     E    89_B      8   10   35      4    6    8    8   11   16   19   20   25   27   32   34   35   36   39   41   47   54   57   62 
LCS_GDT     P    90_C     P    90_B      5   10   35      3    3    5    7   14   19   22   27   28   31   32   34   35   36   37   39   41   45   50   54 
LCS_GDT     N    91_C     N    91_B      3   14   35      3    4    8   14   20   24   25   27   28   31   32   34   35   36   37   38   39   41   43   48 
LCS_GDT     N    92_C     N    92_B      5   18   35      3    4   18   20   21   24   25   27   28   31   32   34   35   36   37   38   39   41   50   51 
LCS_GDT     Y    93_C     Y    93_B      8   18   35      4    9   11   20   21   24   25   27   28   31   32   34   35   36   37   38   39   41   43   48 
LCS_GDT     V    94_C     V    94_B      8   18   35      4   15   18   20   21   24   25   27   28   31   32   34   35   36   37   38   43   44   51   55 
LCS_GDT     R    95_C     R    95_B      8   18   35      4   15   18   20   21   24   25   27   28   31   32   34   35   36   37   38   39   41   43   46 
LCS_GDT     L    96_C     L    96_B      8   21   35      4   15   18   20   21   24   25   27   28   31   32   34   35   36   37   38   40   44   49   54 
LCS_GDT     R    97_C     R    97_B      8   21   35      4    8   15   17   21   24   25   27   28   31   32   34   35   36   37   38   39   44   48   49 
LCS_GDT     L    98_C     L    98_B      8   21   35      4    8   15   17   21   24   25   27   28   31   32   34   35   36   37   38   39   44   48   54 
LCS_GDT     I    99_C     I    99_B      8   21   35      4    7   10   11   15   20   24   26   28   31   32   34   35   36   37   38   39   41   43   46 
LCS_GDT     E   100_C     E   100_B      8   21   35      3    7   10   11   15   17   21   26   28   31   32   34   35   36   37   38   39   44   48   49 
LCS_GDT     K   101_C     K   101_B     16   21   35      3    5    9   17   21   24   25   27   28   31   32   34   35   36   37   38   39   44   48   49 
LCS_GDT     I   102_C     I   102_B     16   21   35      3   12   18   20   21   24   25   27   28   31   32   34   35   36   37   39   41   49   50   54 
LCS_GDT     D   103_C     D   103_B     16   21   35     11   15   18   20   21   24   25   27   28   31   32   34   35   36   37   41   45   51   55   59 
LCS_GDT     I   104_C     I   104_B     16   21   35      7   15   18   20   21   24   25   27   28   31   32   34   35   36   39   43   46   51   55   59 
LCS_GDT     L   105_C     L   105_B     16   21   35     12   15   18   20   21   24   25   27   28   31   32   34   36   43   49   53   54   57   61   67 
LCS_GDT     E   106_C     E   106_B     16   21   35     12   15   18   20   21   24   25   27   28   32   37   42   45   49   51   53   58   59   62   67 
LCS_GDT     V   107_C     V   107_B     16   21   35     12   15   18   20   21   24   25   27   28   33   38   42   45   49   51   53   58   59   62   67 
LCS_GDT     E   108_C     E   108_B     16   21   35     12   15   18   20   21   24   25   27   28   35   40   42   45   49   51   53   58   59   62   67 
LCS_GDT     N   109_C     N   109_B     16   21   35     12   15   18   20   22   24   25   30   34   38   40   42   45   49   51   53   58   59   61   67 
LCS_GDT     H   110_C     H   110_B     16   21   35     12   15   18   20   21   24   25   27   32   38   39   42   45   49   51   53   58   59   62   67 
LCS_GDT     L   111_C     L   111_B     16   21   35     12   15   18   20   21   24   25   30   34   38   39   42   45   49   51   53   58   59   61   67 
LCS_GDT     K   112_C     K   112_B     16   21   35     12   15   18   20   21   24   25   27   28   31   32   39   42   46   47   49   51   52   56   60 
LCS_GDT     F   113_C     F   113_B     16   21   35     12   15   18   20   21   24   25   27   28   31   32   34   35   36   43   46   47   51   53   55 
LCS_GDT     L   114_C     L   114_B     16   21   35     12   15   18   20   21   24   25   27   28   31   32   34   35   36   37   38   47   48   52   53 
LCS_GDT     F   115_C     F   115_B     16   21   35     12   15   18   20   21   24   25   27   28   31   32   34   35   36   37   38   39   41   47   53 
LCS_GDT     D   116_C     D   116_B     16   21   35     12   15   18   20   21   24   25   27   28   31   32   34   35   36   37   38   39   41   43   46 
LCS_GDT     N   117_C     N   117_B      3   17   35      3    3    4    5    6   12   19   22   24   26   27   28   30   31   35   37   39   39   43   45 
LCS_AVERAGE  LCS_A:  16.73  (   7.09   12.88   30.23 )

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     12     15     18     20     22     24     25     30     34     38     40     42     45     49     51     53     58     59     62     67 
GDT PERCENT_AT  10.34  12.93  15.52  17.24  18.97  20.69  21.55  25.86  29.31  32.76  34.48  36.21  38.79  42.24  43.97  45.69  50.00  50.86  53.45  57.76
GDT RMS_LOCAL    0.33   0.46   0.83   0.99   1.54   1.74   1.86   2.58   2.98   3.27   3.73   3.78   4.46   4.92   5.09   5.30   5.76   5.82   6.41   6.63
GDT RMS_ALL_AT  19.82  19.97  19.95  19.97  14.22  14.19  14.06  14.02  14.04  13.90  14.00  14.01  13.11  13.57  12.87  12.80  12.90  12.87  12.65  12.67

# Checking swapping
#   possible swapping detected:  E    14_C      E    14_B
#   possible swapping detected:  Y    22_C      Y    22_B
#   possible swapping detected:  E    37_C      E    37_B
#   possible swapping detected:  F    40_C      F    40_B
#   possible swapping detected:  E    48_C      E    48_B
#   possible swapping detected:  E    55_C      E    55_B
#   possible swapping detected:  D    57_C      D    57_B
#   possible swapping detected:  E    61_C      E    61_B
#   possible swapping detected:  F    68_C      F    68_B
#   possible swapping detected:  E    80_C      E    80_B
#   possible swapping detected:  D    85_C      D    85_B
#   possible swapping detected:  D   103_C      D   103_B
#   possible swapping detected:  E   108_C      E   108_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B    22.309     0    0.097   0.180    24.631    0.000    0.000
LGA    K     3_C      K     3_B    18.247     0    0.016   0.978    24.172    0.000    0.000
LGA    S     4_C      S     4_B    12.600     0    0.042   0.138    14.744    0.119    0.079
LGA    K     5_C      K     5_B     8.160     0    0.129   0.918    15.193    9.881    4.603
LGA    M     6_C      M     6_B     4.132     0    0.134   0.330     6.642   25.714   29.464
LGA    L     7_C      L     7_B     7.572     0    0.019   1.397    12.428    9.286    5.238
LGA    S     8_C      S     8_B     7.550     0    0.698   0.833     9.011   15.833   11.270
LGA    N     9_C      N     9_B     2.266     0    0.495   0.841     4.202   61.905   59.940
LGA    I    10_C      I    10_B     1.831     0    0.072   0.753     4.713   77.143   66.190
LGA    V    11_C      V    11_B     0.961     0    0.108   1.347     3.379   88.214   80.884
LGA    I    12_C      I    12_B     1.025     0    0.010   0.181     2.052   85.952   81.667
LGA    Q    13_C      Q    13_B     0.828     0    0.034   1.031     3.830   90.476   78.413
LGA    E    14_C      E    14_B     0.697     0    0.060   0.562     1.501   92.857   87.566
LGA    V    15_C      V    15_B     0.530     0    0.017   1.339     2.654   92.857   84.762
LGA    K    16_C      K    16_B     0.907     0    0.096   0.482     3.555   83.810   76.402
LGA    F    17_C      F    17_B     1.029     0    0.011   1.295     6.560   83.690   59.913
LGA    A    18_C      A    18_B     1.405     0    0.231   0.298     1.799   79.286   78.000
LGA    I    19_C      I    19_B     1.063     0    0.030   0.077     2.885   88.214   76.548
LGA    E    20_C      E    20_B     2.160     0    0.190   0.879     4.529   56.905   54.021
LGA    D    21_C      D    21_B     4.577     0    0.431   0.548     7.266   35.000   24.762
LGA    Y    22_C      Y    22_B     2.282     0    0.141   0.109     3.715   66.786   58.135
LGA    C    23_C      C    23_B     1.251     0    0.176   0.693     2.066   83.810   80.238
LGA    A    24_C      A    24_B     1.835     0    0.049   0.057     2.240   72.857   71.238
LGA    I    25_C      I    25_B     2.089     0    0.013   0.109     2.111   64.762   64.762
LGA    L    26_C      L    26_B     2.256     0    0.019   0.205     3.702   59.167   54.643
LGA    S    27_C      S    27_B     2.463     0    0.056   0.629     3.311   66.786   62.381
LGA    F    28_C      F    28_B     2.445     0    0.217   1.190     6.150   64.762   49.697
LGA    A    29_C      A    29_B     2.059     0    0.021   0.025     3.304   70.833   66.667
LGA    S    30_C      S    30_B     2.616     0    0.669   0.813     5.160   51.071   46.746
LGA    D    31_C      D    31_B     7.944     0    0.704   1.115    11.836    6.071    6.310
LGA    S    32_C      S    32_B    14.800     0    0.133   0.601    17.882    0.000    0.000
LGA    Y    33_C      Y    33_B    14.255     0    0.020   0.837    21.007    0.000    0.000
LGA    E    34_C      E    34_B    13.800     0    0.048   0.950    20.392    0.000    0.000
LGA    V    35_C      V    35_B     6.717     0    0.314   1.075     9.412   15.595   14.082
LGA    P    36_C      P    36_B     2.238     0    0.690   0.559     4.551   54.524   48.095
LGA    E    37_C      E    37_B     5.122     0    0.634   0.914    12.770   33.929   16.349
LGA    Q    38_C      Q    38_B     5.584     0    0.033   0.834     7.916   22.619   18.519
LGA    Y    39_C      Y    39_B     5.984     0    0.082   1.364     8.412   21.429   19.683
LGA    F    40_C      F    40_B     5.427     0    0.068   0.130     5.911   22.619   25.498
LGA    I    41_C      I    41_B     5.465     0    0.075   0.157     6.130   26.190   23.274
LGA    I    42_C      I    42_B     4.636     0    0.121   0.556     5.305   28.810   30.179
LGA    T    43_C      T    43_B     4.583     0    0.044   0.894     7.197   35.714   32.517
LGA    R    44_C      R    44_B     4.126     0    0.026   1.019     9.631   33.214   20.173
LGA    S    45_C      S    45_B     5.579     0    0.116   0.677     7.146   23.214   20.714
LGA    T    46_C      T    46_B     8.208     0    0.037   0.057     9.336    4.405    3.810
LGA    T    47_C      T    47_B    10.754     0    0.055   0.083    12.768    0.119    0.068
LGA    E    48_C      E    48_B    13.096     0    0.635   0.928    14.224    0.000    0.000
LGA    R    49_C      R    49_B    14.076     0    0.090   1.301    16.554    0.000    0.000
LGA    S    50_C      S    50_B    19.120     0    0.199   0.515    22.547    0.000    0.000
LGA    G    51_C      G    51_B    21.033     0    0.673   0.673    21.033    0.000    0.000
LGA    G    52_C      G    52_B    18.505     0    0.670   0.670    19.401    0.000    0.000
LGA    I    53_C      I    53_B    14.497     0    0.024   0.309    16.324    0.000    0.000
LGA    P    54_C      P    54_B    12.361     0    0.138   0.329    15.601    1.548    0.884
LGA    E    55_C      E    55_B     6.863     0    0.080   1.104    10.072    5.833   11.376
LGA    G    56_C      G    56_B     8.480     0    0.040   0.040     8.480    9.048    9.048
LGA    D    57_C      D    57_B    10.048     0    0.054   1.075    14.087    0.119    0.060
LGA    I    58_C      I    58_B     8.887     0    0.032   0.136    10.452    1.429    8.214
LGA    Y    59_C      Y    59_B    13.409     0    0.122   1.363    23.676    0.000    0.000
LGA    L    60_C      L    60_B    11.649     0    0.016   0.685    15.243    0.000    0.119
LGA    E    61_C      E    61_B    15.554     0    0.065   1.085    23.057    0.000    0.000
LGA    S    62_C      S    62_B    15.446     0    0.426   0.821    16.987    0.000    0.000
LGA    N    63_C      N    63_B    16.667     0    0.491   1.285    21.510    0.000    0.000
LGA    L    64_C      L    64_B    11.885     0    0.090   1.358    13.093    0.000    0.357
LGA    F    65_C      F    65_B    10.244     0    0.127   1.047    19.474    1.905    0.693
LGA    L    66_C      L    66_B     4.738     0    0.093   0.958     6.140   32.262   31.190
LGA    D    67_C      D    67_B     3.826     0    0.076   1.083     6.382   31.310   35.774
LGA    F    68_C      F    68_B     9.592     0    0.084   1.017    12.795    2.619    0.952
LGA    N    69_C      N    69_B    13.978     0    0.200   0.799    15.511    0.000    0.000
LGA    P    70_C      P    70_B    16.825     0    0.138   0.166    18.982    0.000    0.000
LGA    Y    71_C      Y    71_B    18.345     0    0.049   0.119    21.318    0.000    0.000
LGA    G    72_C      G    72_B    17.317     0    0.664   0.664    17.803    0.000    0.000
LGA    L    73_C      L    73_B    14.971     0    0.101   1.243    15.580    0.000    0.000
LGA    S    74_C      S    74_B    15.422     0    0.668   0.750    17.040    0.000    0.000
LGA    G    75_C      G    75_B    13.100     0    0.204   0.204    13.519    0.000    0.000
LGA    Y    76_C      Y    76_B    11.551     0    0.187   1.350    23.036    0.000    0.000
LGA    L    77_C      L    77_B    11.319     0    0.155   1.393    12.683    0.000    0.000
LGA    L    78_C      L    78_B    14.408     0    0.086   0.615    17.526    0.000    0.000
LGA    S    79_C      S    79_B    16.706     0    0.063   0.676    19.931    0.000    0.000
LGA    E    80_C      E    80_B    22.056     0    0.041   1.301    23.461    0.000    0.000
LGA    P    81_C      P    81_B    27.121     0    0.525   0.522    30.062    0.000    0.000
LGA    N    82_C      N    82_B    25.946     0    0.575   1.007    29.425    0.000    0.000
LGA    C    83_C      C    83_B    20.807     0    0.101   0.796    23.617    0.000    0.000
LGA    V    84_C      V    84_B    16.714     0    0.195   1.129    17.862    0.000    0.000
LGA    D    85_C      D    85_B    14.762     0    0.137   1.106    20.569    0.000    0.000
LGA    L    86_C      L    86_B    10.844     0    0.066   1.250    11.814    0.000    5.238
LGA    L    87_C      L    87_B    14.568     0    0.035   1.375    21.012    0.000    0.000
LGA    I    88_C      I    88_B    13.901     0    0.088   0.221    16.697    0.000    0.417
LGA    E    89_C      E    89_B    19.601     0    0.065   0.992    22.960    0.000    0.000
LGA    P    90_C      P    90_B    24.103     0    0.624   0.784    25.728    0.000    0.000
LGA    N    91_C      N    91_B    27.213     0    0.058   1.236    31.524    0.000    0.000
LGA    N    92_C      N    92_B    20.763     0    0.637   0.573    22.710    0.000    0.000
LGA    Y    93_C      Y    93_B    19.398     0    0.141   1.251    28.818    0.000    0.000
LGA    V    94_C      V    94_B    15.047     0    0.042   1.278    16.269    0.000    0.000
LGA    R    95_C      R    95_B    19.121     0    0.022   1.328    29.182    0.000    0.000
LGA    L    96_C      L    96_B    17.293     0    0.073   1.381    20.569    0.000    0.000
LGA    R    97_C      R    97_B    23.761     0    0.051   1.083    33.539    0.000    0.000
LGA    L    98_C      L    98_B    24.856     0    0.024   1.225    29.325    0.000    0.000
LGA    I    99_C      I    99_B    31.070     0    0.614   1.666    32.987    0.000    0.000
LGA    E   100_C      E   100_B    33.031     0    0.661   0.854    37.799    0.000    0.000
LGA    K   101_C      K   101_B    31.851     0    0.648   0.852    36.775    0.000    0.000
LGA    I   102_C      I   102_B    24.807     0    0.132   1.063    27.275    0.000    0.000
LGA    D   103_C      D   103_B    21.134     0    0.096   1.110    22.423    0.000    0.000
LGA    I   104_C      I   104_B    17.705     0    0.015   0.650    20.239    0.000    0.000
LGA    L   105_C      L   105_B    13.228     0    0.011   1.257    16.730    0.714    0.357
LGA    E   106_C      E   106_B    11.345     0    0.010   0.662    18.392    1.190    0.529
LGA    V   107_C      V   107_B     9.695     0    0.009   1.336    12.126    9.167    5.238
LGA    E   108_C      E   108_B     6.875     0    0.053   1.005    13.505   22.262   10.106
LGA    N   109_C      N   109_B     2.460     0    0.022   0.096     5.478   49.048   44.107
LGA    H   110_C      H   110_B     5.368     0    0.028   1.149    13.832   29.524   12.857
LGA    L   111_C      L   111_B     3.487     0    0.010   1.227     7.560   33.929   37.976
LGA    K   112_C      K   112_B     8.171     0    0.020   0.507    12.113    6.905    3.915
LGA    F   113_C      F   113_B    10.690     0    0.069   0.152    18.351    0.714    0.260
LGA    L   114_C      L   114_B    11.991     0    0.012   1.241    15.394    0.000    0.060
LGA    F   115_C      F   115_B    14.679     0    0.205   0.503    18.785    0.000    0.173
LGA    D   116_C      D   116_B    18.692     0    0.616   0.765    22.257    0.000    0.000
LGA    N   117_C      N   117_B    22.301     0    0.165   1.039    22.948    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     942    942  100.00               116
SUMMARY(RMSD_GDC):    12.488         12.513                 13.501           19.362   17.357

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0     30    2.58    25.431    22.605     1.119

LGA_LOCAL      RMSD:   2.580  Number of atoms:   30  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.024  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:  12.488  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.368568 * X  +  -0.920885 * Y  +   0.126997 * Z  + -20.904182
  Y_new =   0.659891 * X  +   0.162958 * Y  +  -0.733477 * Z  + -19.664873
  Z_new =   0.654753 * X  +   0.354140 * Y  +   0.667745 * Z  +  -1.044112 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.061429 -0.713856  0.487633   [DEG:   60.8154  -40.9009   27.9393 ]
ZXZ:  0.171443  0.839621  1.074986   [DEG:    9.8230   48.1067   61.5921 ]
 
# END of job
