
#######################################################
#                                                     #
#                        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:    35      82_B - 116_B       4.96    17.47
  LONGEST_CONTINUOUS_SEGMENT:    35      83_B - 117_B       4.84    17.47
  LCS_AVERAGE:     23.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      94_B - 116_B       1.93    17.86
  LCS_AVERAGE:     10.39

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15     102_B - 116_B       0.62    16.78
  LCS_AVERAGE:      6.32

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      7    7   17      3    6    7    7    7    8   12   17   18   23   24   31   32   36   38   41   44   48   51   53 
LCS_GDT     K     3_C     K     3_B      7    7   17      3    6    7    7    8   12   12   13   14   19   24   31   38   40   42   43   46   49   54   55 
LCS_GDT     S     4_C     S     4_B      7    9   17      3    6    7    7    9   12   12   13   15   25   28   36   39   42   45   46   48   56   58   62 
LCS_GDT     K     5_C     K     5_B      7    9   25      3    6    7    7    9   12   12   13   17   22   28   42   43   44   46   49   53   57   61   62 
LCS_GDT     M     6_C     M     6_B      7    9   25      3    6    7    7    9   12   13   16   27   32   40   45   51   54   57   59   60   62   63   65 
LCS_GDT     L     7_C     L     7_B      7    9   25      3    6    7    7    7   12   12   14   17   26   38   44   49   53   57   59   60   62   63   65 
LCS_GDT     S     8_C     S     8_B      7    9   25      0    6    7    7    9   12   12   13   17   27   40   44   49   53   57   59   60   62   63   65 
LCS_GDT     N     9_C     N     9_B      4   13   25      3    4    6    9   16   18   20   26   31   38   44   49   52   54   57   59   60   62   63   65 
LCS_GDT     I    10_C     I    10_B      9   13   25      3    5   10   12   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     V    11_C     V    11_B      9   13   25      3    8   10   12   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     I    12_C     I    12_B      9   13   25      4    8   10   12   14   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     Q    13_C     Q    13_B      9   13   25      4    8   10   12   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     E    14_C     E    14_B      9   13   25      4    8   11   12   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     V    15_C     V    15_B      9   13   25      4    8   11   12   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     K    16_C     K    16_B      9   13   25      4    8   11   12   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     F    17_C     F    17_B      9   13   25      5    8   11   12   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     A    18_C     A    18_B      9   13   25      4    8   11   12   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     I    19_C     I    19_B      4   13   25      3    5    8   12   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     E    20_C     E    20_B      4   13   25      3    5   10   12   16   17   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     D    21_C     D    21_B      5   13   25      4    4    8   11   15   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     Y    22_C     Y    22_B      5    9   25      4    4    6    9   15   17   20   26   32   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     C    23_C     C    23_B      5    9   25      4    4    6   10   15   18   20   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     A    24_C     A    24_B      5    9   25      4    4    6   10   15   18   20   24   30   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     I    25_C     I    25_B      5    9   25      3    4    6   10   13   15   20   24   30   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     L    26_C     L    26_B      5    9   25      3    5    6   10   15   18   20   26   30   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     S    27_C     S    27_B      5    9   25      3    5    6    9   12   17   20   26   30   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     F    28_C     F    28_B      5    9   25      3    5    6   10   12   17   20   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     A    29_C     A    29_B      5    9   25      3    5    6   10   12   13   17   20   29   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     S    30_C     S    30_B      5    9   25      3    5    6   10   12   13   15   20   29   36   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     D    31_C     D    31_B      3    8   25      3    4    5   10   12   13   14   15   18   24   29   37   44   49   56   57   59   60   62   66 
LCS_GDT     S    32_C     S    32_B      3    7   19      3    4    5    5    6    7   11   12   14   22   23   29   36   42   47   51   54   58   62   66 
LCS_GDT     Y    33_C     Y    33_B      5    7   19      3    5    5    6    9   11   12   15   17   20   24   27   32   38   48   51   54   59   62   66 
LCS_GDT     E    34_C     E    34_B      5    7   19      4    5    5    6    7   10   11   12   15   19   23   25   27   30   33   40   45   54   58   61 
LCS_GDT     V    35_C     V    35_B      5    7   19      4    5    5    6    9   11   12   15   17   20   25   37   40   45   49   54   58   60   62   66 
LCS_GDT     P    36_C     P    36_B      5    6   27      4    5    5    6    9   11   16   19   29   36   42   49   52   54   57   59   60   62   63   66 
LCS_GDT     E    37_C     E    37_B      5   10   27      4    5    5   11   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     Q    38_C     Q    38_B      5   10   27      4    8   11   12   15   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     Y    39_C     Y    39_B      5   10   27      4    8   11   12   16   17   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     F    40_C     F    40_B      5   10   27      5    8   11   12   16   17   21   26   33   37   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     I    41_C     I    41_B      5   10   27      5    8   11   12   16   17   21   28   33   38   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     I    42_C     I    42_B      5   10   27      5    8   11   12   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     T    43_C     T    43_B      5   10   27      5    7   11   12   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     R    44_C     R    44_B      5   10   27      3    6    9   12   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     S    45_C     S    45_B      4   10   27      3    4    5    8   10   15   20   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     T    46_C     T    46_B      4   10   27      3    4    5    8   10   12   20   26   33   37   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     T    47_C     T    47_B      4    9   27      3    4    4    6   10   15   20   26   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     E    48_C     E    48_B      4    5   27      3    4    6    7    9   13   19   26   30   35   43   49   52   54   57   59   60   62   63   66 
LCS_GDT     R    49_C     R    49_B      4    5   27      3    4    4    5    9   11   14   15   19   22   31   34   40   42   48   54   56   59   63   64 
LCS_GDT     S    50_C     S    50_B      4    5   27      3    4    4    5    5    6    9   15   19   21   31   34   40   43   47   54   56   59   62   66 
LCS_GDT     G    51_C     G    51_B      4    7   27      0    4    4    5    6    7    9   22   30   35   39   48   52   54   57   59   60   62   63   66 
LCS_GDT     G    52_C     G    52_B     10   11   27      6    7   10   12   15   18   20   26   30   37   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     I    53_C     I    53_B     10   11   27      6    7   10   12   15   18   20   22   29   34   41   46   51   54   57   59   60   62   63   66 
LCS_GDT     P    54_C     P    54_B     10   11   27      6    7   10   12   15   18   20   26   30   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     E    55_C     E    55_B     10   11   27      6    7   10   12   15   18   20   26   30   35   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     G    56_C     G    56_B     10   11   27      6    7   10   12   15   18   20   26   30   35   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     D    57_C     D    57_B     10   11   27      6    7   10   12   15   18   20   26   30   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     I    58_C     I    58_B     10   11   27      5    7   10   12   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     Y    59_C     Y    59_B     10   11   27      5    7   10   12   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     L    60_C     L    60_B     10   11   27      5    7   10   12   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     E    61_C     E    61_B     10   11   27      5    7   10   11   15   18   20   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     S    62_C     S    62_B      5   11   27      4    4    5    8   11   15   19   21   28   36   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     N    63_C     N    63_B      5    7   26      4    4    5    6    6    7    8   17   18   28   35   41   46   51   55   59   60   62   63   65 
LCS_GDT     L    64_C     L    64_B      5    7   14      4    4    5   11   13   14   15   17   18   20   28   41   48   51   56   59   60   62   63   65 
LCS_GDT     F    65_C     F    65_B      5    7   12      4    4    5    6    7   10   11   12   13   17   23   25   25   30   35   42   49   57   60   62 
LCS_GDT     L    66_C     L    66_B      4    7   14      3    4    5    6    7   10   11   12   13   16   23   25   25   30   30   41   45   52   56   61 
LCS_GDT     D    67_C     D    67_B      4    7   14      3    4    4    6    7   10   11   12   13   16   23   25   25   31   33   41   45   47   51   53 
LCS_GDT     F    68_C     F    68_B      5    6   17      3    4    5    6    7   10   12   14   15   19   23   27   33   37   43   44   46   47   51   58 
LCS_GDT     N    69_C     N    69_B      5    6   22      4    4    5    5    6    9   11   13   15   19   22   27   32   37   43   44   46   53   58   61 
LCS_GDT     P    70_C     P    70_B      5    6   22      4    4    5    5    6   10   11   12   14   17   19   24   30   36   43   44   46   47   51   53 
LCS_GDT     Y    71_C     Y    71_B      5    7   22      4    4    5    5    6   10   11   12   14   16   19   22   26   29   35   47   50   56   58   61 
LCS_GDT     G    72_C     G    72_B      5    7   22      4    4    5    5    8   10   11   12   14   16   22   27   33   40   50   52   57   59   60   61 
LCS_GDT     L    73_C     L    73_B      4    7   22      3    4    5    5    8   10   11   14   17   27   36   42   48   51   55   59   60   62   63   65 
LCS_GDT     S    74_C     S    74_B      4    7   22      4    4    6    7    9   11   16   21   24   34   43   47   51   54   57   59   60   62   63   65 
LCS_GDT     G    75_C     G    75_B      5    7   22      4    5    9   11   16   18   21   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     Y    76_C     Y    76_B      5    7   22      4    4    6    7   12   15   21   28   33   40   44   49   52   54   57   59   59   62   63   66 
LCS_GDT     L    77_C     L    77_B      5    7   22      4    4    6   10   10   11   15   18   21   27   33   41   43   50   53   57   59   60   62   66 
LCS_GDT     L    78_C     L    78_B      5    7   23      3    4    6   10   12   13   14   17   21   24   28   34   40   44   50   54   59   60   62   66 
LCS_GDT     S    79_C     S    79_B      5    7   24      2    4    6   10   12   13   14   16   21   24   27   34   38   43   50   54   56   59   62   66 
LCS_GDT     E    80_C     E    80_B      3    5   24      3    4    5   10   12   13   14   17   21   24   28   34   40   43   50   54   59   60   62   66 
LCS_GDT     P    81_C     P    81_B      3    8   24      3    3    5    6    8   13   14   17   21   24   27   34   40   43   50   54   56   60   62   66 
LCS_GDT     N    82_C     N    82_B      7    9   35      3    6    8    8   12   13   14   17   21   24   29   35   40   44   50   54   59   60   62   66 
LCS_GDT     C    83_C     C    83_B      7    9   35      4    6    8    8    9   10   14   16   19   26   33   41   46   54   56   57   59   60   62   66 
LCS_GDT     V    84_C     V    84_B      7    9   35      4    6    8    8    9   11   17   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     D    85_C     D    85_B      7    9   35      4    6    8   11   16   18   20   26   33   40   44   49   52   54   57   59   60   62   63   65 
LCS_GDT     L    86_C     L    86_B      7    9   35      4    6    8    8    9   14   16   22   28   34   43   47   51   54   57   59   60   62   63   65 
LCS_GDT     L    87_C     L    87_B      7    9   35      3    6    8    8    9   10   13   17   18   22   29   35   44   51   54   57   58   61   62   63 
LCS_GDT     I    88_C     I    88_B      7    9   35      3    6    8    8    8   10   13   17   21   27   28   30   33   37   43   47   52   58   58   61 
LCS_GDT     E    89_C     E    89_B      7    9   35      3    5    8    8    9   10   13   17   18   20   23   27   33   37   43   44   46   47   48   49 
LCS_GDT     P    90_C     P    90_B      5    9   35      3    3    5    5    9   10   13   17   21   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     N    91_C     N    91_B      7   13   35      3    3    7    9   12   17   22   25   26   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     N    92_C     N    92_B      7   13   35      3    4    7   12   19   21   24   25   26   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     Y    93_C     Y    93_B      8   13   35      4    5    8   11   19   21   24   25   26   27   28   30   33   37   43   44   46   52   58   59 
LCS_GDT     V    94_C     V    94_B      8   23   35      4    7   13   17   19   21   24   25   26   27   28   30   36   45   50   55   58   59   61   62 
LCS_GDT     R    95_C     R    95_B      8   23   35      3    9   13   17   19   21   24   25   26   27   36   44   49   53   57   59   60   62   63   65 
LCS_GDT     L    96_C     L    96_B      8   23   35      4    9   13   17   19   21   24   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     R    97_C     R    97_B      8   23   35      4    9   13   17   19   21   24   28   33   40   44   49   52   54   57   59   60   62   63   66 
LCS_GDT     L    98_C     L    98_B      8   23   35      3    9   13   17   19   21   24   25   26   27   34   41   49   54   56   57   59   60   62   66 
LCS_GDT     I    99_C     I    99_B      8   23   35      4    9   11   14   19   21   24   25   26   27   28   30   37   43   50   54   59   60   62   66 
LCS_GDT     E   100_C     E   100_B      8   23   35      4    9   11   12   19   21   24   25   26   27   28   35   40   43   50   54   59   60   62   66 
LCS_GDT     K   101_C     K   101_B      5   23   35      3    4    6   10   13   19   24   25   26   27   28   32   38   42   47   51   52   55   59   65 
LCS_GDT     I   102_C     I   102_B     15   23   35      3    8   15   17   19   21   24   25   26   27   28   30   33   39   43   45   51   54   56   57 
LCS_GDT     D   103_C     D   103_B     15   23   35     11   14   15   17   19   21   24   25   26   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     I   104_C     I   104_B     15   23   35     12   14   15   15   15   20   23   25   26   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     L   105_C     L   105_B     15   23   35     12   14   15   15   19   21   24   25   26   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     E   106_C     E   106_B     15   23   35     12   14   15   17   19   21   24   25   26   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     V   107_C     V   107_B     15   23   35     12   14   15   17   19   21   24   25   26   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     E   108_C     E   108_B     15   23   35     12   14   15   17   19   21   24   25   26   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     N   109_C     N   109_B     15   23   35     12   14   15   17   19   21   24   25   26   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     H   110_C     H   110_B     15   23   35     12   14   15   17   19   21   24   25   26   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     L   111_C     L   111_B     15   23   35     12   14   15   17   19   21   24   25   26   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     K   112_C     K   112_B     15   23   35     12   14   15   17   19   21   24   25   26   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     F   113_C     F   113_B     15   23   35     12   14   15   17   19   21   24   25   26   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     L   114_C     L   114_B     15   23   35     12   14   15   17   19   21   24   25   26   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     F   115_C     F   115_B     15   23   35     12   14   15   17   19   21   24   25   26   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     D   116_C     D   116_B     15   23   35     12   14   15   17   19   21   24   25   26   27   28   30   33   37   43   44   46   47   48   49 
LCS_GDT     N   117_C     N   117_B      3   17   35      3    3    3    4    7   11   15   16   16   24   27   29   32   36   43   44   46   47   48   49 
LCS_AVERAGE  LCS_A:  13.45  (   6.32   10.39   23.64 )

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     14     15     17     19     21     24     28     33     40     44     49     52     54     57     59     60     62     63     66 
GDT PERCENT_AT  10.34  12.07  12.93  14.66  16.38  18.10  20.69  24.14  28.45  34.48  37.93  42.24  44.83  46.55  49.14  50.86  51.72  53.45  54.31  56.90
GDT RMS_LOCAL    0.34   0.39   0.62   1.26   1.46   1.73   2.01   3.03   3.31   3.90   4.00   4.33   4.53   4.64   4.87   5.00   5.15   5.32   5.46   6.53
GDT RMS_ALL_AT  16.84  16.81  16.78  17.82  17.87  17.81  17.82  14.99  14.90  14.71  14.75  14.66  14.62  14.69  14.90  14.82  14.93  14.89  14.90  14.83

# Checking swapping
#   possible swapping detected:  E    20_C      E    20_B
#   possible swapping detected:  E    34_C      E    34_B
#   possible swapping detected:  Y    39_C      Y    39_B
#   possible swapping detected:  F    40_C      F    40_B
#   possible swapping detected:  E    55_C      E    55_B
#   possible swapping detected:  E    61_C      E    61_B
#   possible swapping detected:  D    85_C      D    85_B
#   possible swapping detected:  Y    93_C      Y    93_B
#   possible swapping detected:  E   100_C      E   100_B
#   possible swapping detected:  E   108_C      E   108_B
#   possible swapping detected:  F   113_C      F   113_B
#   possible swapping detected:  D   116_C      D   116_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B    21.619     0    0.082   0.184    22.996    0.000    0.000
LGA    K     3_C      K     3_B    18.278     0    0.086   0.548    19.590    0.000    0.000
LGA    S     4_C      S     4_B    15.243     0    0.036   0.161    16.346    0.000    0.000
LGA    K     5_C      K     5_B    12.592     0    0.103   0.919    18.432    0.000    0.000
LGA    M     6_C      M     6_B     8.555     0    0.114   1.251     9.878    1.310    6.964
LGA    L     7_C      L     7_B    10.156     0    0.658   1.351    14.310    0.476    0.238
LGA    S     8_C      S     8_B    10.470     0    0.678   0.807    12.930    1.905    1.270
LGA    N     9_C      N     9_B     5.297     0    0.254   1.291     6.936   30.000   27.024
LGA    I    10_C      I    10_B     3.505     0    0.059   0.756     5.607   46.667   38.750
LGA    V    11_C      V    11_B     3.099     0    0.033   1.342     4.985   53.571   49.388
LGA    I    12_C      I    12_B     2.988     0    0.126   0.713     5.123   53.571   50.595
LGA    Q    13_C      Q    13_B     2.258     0    0.035   1.059     5.114   68.810   57.302
LGA    E    14_C      E    14_B     1.575     0    0.066   0.692     4.550   72.857   61.534
LGA    V    15_C      V    15_B     2.396     0    0.012   1.164     4.985   64.762   60.068
LGA    K    16_C      K    16_B     2.481     0    0.172   0.906     3.989   57.500   60.952
LGA    F    17_C      F    17_B     2.314     0    0.068   1.240     5.350   62.857   53.766
LGA    A    18_C      A    18_B     2.247     0    0.272   0.335     2.386   66.786   66.381
LGA    I    19_C      I    19_B     1.751     0    0.621   1.022     4.053   71.071   58.155
LGA    E    20_C      E    20_B     3.216     0    0.676   1.064     4.566   53.571   45.873
LGA    D    21_C      D    21_B     3.526     0    0.284   0.455     4.633   43.690   43.750
LGA    Y    22_C      Y    22_B     5.770     0    0.111   0.321     7.975   25.119   16.071
LGA    C    23_C      C    23_B     5.035     0    0.173   0.835     5.265   27.500   33.095
LGA    A    24_C      A    24_B     6.636     0    0.037   0.058     7.195   15.238   14.190
LGA    I    25_C      I    25_B     6.534     0    0.023   0.113     6.974   14.286   13.810
LGA    L    26_C      L    26_B     6.325     0    0.131   0.699     6.823   16.190   20.893
LGA    S    27_C      S    27_B     6.295     0    0.131   0.617     8.775   18.214   14.841
LGA    F    28_C      F    28_B     5.196     0    0.134   0.201     5.884   25.000   24.459
LGA    A    29_C      A    29_B     7.268     0    0.166   0.236     8.123   10.357    9.238
LGA    S    30_C      S    30_B     8.217     0    0.675   0.619     9.466    5.119    4.127
LGA    D    31_C      D    31_B    13.208     0    0.699   1.136    16.263    0.000    0.000
LGA    S    32_C      S    32_B    18.490     0    0.558   0.485    21.900    0.000    0.000
LGA    Y    33_C      Y    33_B    18.368     0    0.665   0.638    19.026    0.000    0.000
LGA    E    34_C      E    34_B    21.553     0    0.119   0.918    29.004    0.000    0.000
LGA    V    35_C      V    35_B    15.667     0    0.125   1.336    17.619    0.000    0.000
LGA    P    36_C      P    36_B     9.310     0    0.023   0.075    13.181    5.357    3.129
LGA    E    37_C      E    37_B     3.813     0    0.624   1.121     6.220   49.762   38.360
LGA    Q    38_C      Q    38_B     1.086     0    0.104   1.048     6.885   85.952   61.534
LGA    Y    39_C      Y    39_B     3.031     0    0.045   1.385    11.525   46.905   27.659
LGA    F    40_C      F    40_B     4.115     0    0.038   0.213     5.026   41.786   37.359
LGA    I    41_C      I    41_B     3.796     0    0.011   0.135     3.959   43.333   43.333
LGA    I    42_C      I    42_B     3.509     0    0.089   1.106     5.025   46.667   42.083
LGA    T    43_C      T    43_B     2.089     0    0.075   0.939     3.421   69.048   65.170
LGA    R    44_C      R    44_B     2.019     0    0.036   0.232     7.842   70.833   40.649
LGA    S    45_C      S    45_B     4.363     0    0.658   0.822     7.651   41.905   31.984
LGA    T    46_C      T    46_B     4.794     0    0.047   0.075     8.026   28.929   20.544
LGA    T    47_C      T    47_B     5.124     0    0.678   0.603     9.279   19.524   30.816
LGA    E    48_C      E    48_B     7.814     0    0.131   1.413     9.473   10.595    6.984
LGA    R    49_C      R    49_B    12.063     0    0.013   1.206    23.437    0.000    0.000
LGA    S    50_C      S    50_B    11.362     0    0.575   0.769    15.446    0.476    0.317
LGA    G    51_C      G    51_B     9.228     0    0.687   0.687    11.288    0.833    0.833
LGA    G    52_C      G    52_B     9.194     0    0.671   0.671     9.408    3.214    3.214
LGA    I    53_C      I    53_B    10.888     0    0.023   0.194    16.337    0.238    0.119
LGA    P    54_C      P    54_B     7.621     0    0.023   0.044     9.942    3.333    4.762
LGA    E    55_C      E    55_B     9.540     0    0.011   1.031    15.398    3.810    1.693
LGA    G    56_C      G    56_B     9.409     0    0.023   0.023     9.720    2.857    2.857
LGA    D    57_C      D    57_B     7.079     0    0.013   0.162     9.413   15.595    9.762
LGA    I    58_C      I    58_B     3.914     0    0.094   1.012     5.959   34.762   35.536
LGA    Y    59_C      Y    59_B     2.425     0    0.032   1.238    13.508   77.619   33.532
LGA    L    60_C      L    60_B     0.241     0    0.116   1.113     4.043   81.905   71.905
LGA    E    61_C      E    61_B     3.620     0    0.354   0.849     5.562   40.238   38.519
LGA    S    62_C      S    62_B     6.712     0    0.137   0.559     9.535    9.524   14.444
LGA    N    63_C      N    63_B    12.648     0    0.134   0.169    15.620    0.000    0.000
LGA    L    64_C      L    64_B    11.691     0    0.039   1.354    12.762    0.000    0.119
LGA    F    65_C      F    65_B    16.568     0    0.202   1.167    25.677    0.000    0.000
LGA    L    66_C      L    66_B    16.780     0    0.014   0.951    17.461    0.000    0.000
LGA    D    67_C      D    67_B    20.049     0    0.122   0.990    24.530    0.000    0.000
LGA    F    68_C      F    68_B    19.767     0    0.072   1.234    20.898    0.000    0.000
LGA    N    69_C      N    69_B    22.216     0    0.203   0.808    23.159    0.000    0.000
LGA    P    70_C      P    70_B    23.643     0    0.074   0.137    26.192    0.000    0.000
LGA    Y    71_C      Y    71_B    22.847     0    0.066   0.233    28.051    0.000    0.000
LGA    G    72_C      G    72_B    19.964     0    0.655   0.655    20.655    0.000    0.000
LGA    L    73_C      L    73_B    12.679     0    0.101   1.203    15.417    0.000    0.060
LGA    S    74_C      S    74_B    10.063     0    0.686   0.602    10.925    4.286    2.857
LGA    G    75_C      G    75_B     3.921     0    0.017   0.017     5.837   41.310   41.310
LGA    Y    76_C      Y    76_B     4.126     0    0.010   1.382    11.100   27.857   14.167
LGA    L    77_C      L    77_B     9.331     0    0.087   1.263    12.051    3.690    2.083
LGA    L    78_C      L    78_B    14.883     0    0.676   0.775    17.100    0.000    0.000
LGA    S    79_C      S    79_B    17.110     0    0.661   0.837    18.485    0.000    0.000
LGA    E    80_C      E    80_B    17.174     0    0.025   0.497    21.274    0.000    0.000
LGA    P    81_C      P    81_B    18.355     0    0.313   0.345    20.258    0.000    0.000
LGA    N    82_C      N    82_B    15.029     0    0.440   0.841    18.755    0.000    0.000
LGA    C    83_C      C    83_B     9.582     0    0.150   0.241    12.400    5.952    4.206
LGA    V    84_C      V    84_B     4.153     0    0.055   0.067     7.087   32.619   31.701
LGA    D    85_C      D    85_B     4.913     0    0.095   1.103     6.618   31.786   26.190
LGA    L    86_C      L    86_B     8.697     0    0.131   1.241    12.811    3.214   12.440
LGA    L    87_C      L    87_B    15.617     0    0.034   1.365    17.631    0.000    0.000
LGA    I    88_C      I    88_B    20.480     0    0.062   0.217    24.467    0.000    0.000
LGA    E    89_C      E    89_B    27.511     0    0.070   1.352    29.328    0.000    0.000
LGA    P    90_C      P    90_B    32.970     0    0.629   0.798    35.858    0.000    0.000
LGA    N    91_C      N    91_B    31.743     0    0.047   1.224    33.535    0.000    0.000
LGA    N    92_C      N    92_B    25.712     0    0.650   0.616    28.953    0.000    0.000
LGA    Y    93_C      Y    93_B    20.065     0    0.129   0.865    22.503    0.000    0.000
LGA    V    94_C      V    94_B    13.593     0    0.029   1.308    15.589    0.000    0.000
LGA    R    95_C      R    95_B     8.692     0    0.026   1.104    10.832    5.833    3.939
LGA    L    96_C      L    96_B     2.764     0    0.048   1.049     4.193   60.000   58.214
LGA    R    97_C      R    97_B     4.262     0    0.044   0.634     8.880   24.167   22.684
LGA    L    98_C      L    98_B    10.473     0    0.075   1.223    11.851    1.786    0.893
LGA    I    99_C      I    99_B    15.854     0    0.619   1.694    20.683    0.000    0.000
LGA    E   100_C      E   100_B    18.937     0    0.661   1.285    24.473    0.000    0.000
LGA    K   101_C      K   101_B    22.416     0    0.643   0.480    25.090    0.000    0.000
LGA    I   102_C      I   102_B    22.747     0    0.190   1.147    23.295    0.000    0.000
LGA    D   103_C      D   103_B    26.543     0    0.135   0.647    32.299    0.000    0.000
LGA    I   104_C      I   104_B    23.107     0    0.055   0.761    24.652    0.000    0.000
LGA    L   105_C      L   105_B    28.759     0    0.046   1.418    33.867    0.000    0.000
LGA    E   106_C      E   106_B    27.585     0    0.019   1.124    30.662    0.000    0.000
LGA    V   107_C      V   107_B    20.835     0    0.015   1.339    23.206    0.000    0.000
LGA    E   108_C      E   108_B    23.938     0    0.044   1.063    28.996    0.000    0.000
LGA    N   109_C      N   109_B    27.896     0    0.012   0.136    33.166    0.000    0.000
LGA    H   110_C      H   110_B    22.220     0    0.061   1.184    24.119    0.000    0.000
LGA    L   111_C      L   111_B    19.422     0    0.005   1.223    21.559    0.000    0.000
LGA    K   112_C      K   112_B    26.133     0    0.044   0.529    35.503    0.000    0.000
LGA    F   113_C      F   113_B    25.124     0    0.048   1.455    25.378    0.000    0.000
LGA    L   114_C      L   114_B    18.566     0    0.054   1.257    20.692    0.000    0.000
LGA    F   115_C      F   115_B    22.499     0    0.259   1.149    25.494    0.000    0.000
LGA    D   116_C      D   116_B    28.108     0    0.626   1.297    33.084    0.000    0.000
LGA    N   117_C      N   117_B    26.295     0    0.588   1.219    29.682    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):    14.254         14.146                 15.025           17.103   14.834

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0     28    3.03    25.431    22.005     0.894

LGA_LOCAL      RMSD:   3.031  Number of atoms:   28  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.990  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:  14.254  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.132877 * X  +  -0.580849 * Y  +   0.803093 * Z  + -18.209126
  Y_new =  -0.775215 * X  +  -0.443968 * Y  +  -0.449371 * Z  + -11.742054
  Z_new =   0.617564 * X  +  -0.682280 * Y  +  -0.391290 * Z  +  -0.636272 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.740553 -0.665642 -2.091505   [DEG:  -99.7264  -38.1385 -119.8344 ]
ZXZ:  1.060650  1.972829  2.405941   [DEG:   60.7708  113.0348  137.8503 ]
 
# END of job
