
#######################################################
#                                                     #
#                        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  116 (  967),  selected  114 , name one
# Molecule2: number of CA atoms  114 (  953),  selected  114 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    66       3_A - 68_A        4.43    16.44
  LCS_AVERAGE:     47.90

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    54       3_A - 56_A        1.98    16.70
  LCS_AVERAGE:     27.42

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28       9_A - 36_A        0.99    17.33
  LCS_AVERAGE:     11.90

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  114
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     G     3_A     G     3_A     27   54   66     11   20   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     E     4_A     E     4_A     27   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     E     5_A     E     5_A     27   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     E     6_A     E     6_A     27   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     R     7_A     R     7_A     27   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     F     8_A     F     8_A     27   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     R     9_A     R     9_A     28   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     A    10_A     A    10_A     28   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     Y    11_A     Y    11_A     28   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     Y    12_A     Y    12_A     28   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     E    13_A     E    13_A     28   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     R    14_A     R    14_A     28   54   66      9   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     Y    15_A     Y    15_A     28   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     F    16_A     F    16_A     28   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     A    17_A     A    17_A     28   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     A    18_A     A    18_A     28   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     L    19_A     L    19_A     28   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     A    20_A     A    20_A     28   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     A    21_A     A    21_A     28   54   66      9   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     R    22_A     R    22_A     28   54   66      9   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     D    23_A     D    23_A     28   54   66      9   21   27   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     Y    24_A     Y    24_A     28   54   66      5   20   26   29   45   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     E    25_A     E    25_A     28   54   66      5   20   25   29   35   49   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     T    26_A     T    26_A     28   54   66      6   20   27   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     L    27_A     L    27_A     28   54   66      9   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     L    28_A     L    28_A     28   54   66      9   21   27   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     E    29_A     E    29_A     28   54   66      7   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     I    30_A     I    30_A     28   54   66     10   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     L    31_A     L    31_A     28   54   66      9   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     R    32_A     R    32_A     28   54   66      7   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     E    33_A     E    33_A     28   54   66      9   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     F    34_A     F    34_A     28   54   66      7   20   26   33   46   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     G    35_A     G    35_A     28   54   66      7   20   26   29   41   51   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     V    36_A     V    36_A     28   54   66      9   21   27   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     A    37_A     A    37_A      3   54   66      0    3   19   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     K    38_A     K    38_A     10   54   66      3    9   15   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     L    39_A     L    39_A     10   54   66      3    9   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     V    40_A     V    40_A     10   54   66      3    9   23   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     L    41_A     L    41_A     10   54   66      4    8   22   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     N    42_A     N    42_A     10   54   66      5    9   14   26   43   51   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     G    43_A     G    43_A     10   54   66      4    5   11   17   28   46   58   60   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     R    44_A     R    44_A     11   54   66      5    9   19   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     E    45_A     E    45_A     12   54   66      5    9   22   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     F    46_A     F    46_A     15   54   66      5   13   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     A    47_A     A    47_A     15   54   66      4    8   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     S    48_A     S    48_A     15   54   66      7   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     P    49_A     P    49_A     15   54   66     11   13   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     E    50_A     E    50_A     15   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     E    51_A     E    51_A     15   54   66     11   21   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     A    52_A     A    52_A     15   54   66     11   13   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     V    53_A     V    53_A     15   54   66     11   14   28   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     Q    54_A     Q    54_A     15   54   66     11   13   30   38   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     W    55_A     W    55_A     15   54   66     11   13   18   37   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     A    56_A     A    56_A     15   54   66     11   13   15   18   39   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     R    57_A     R    57_A     15   27   66     11   13   15   19   41   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     D    58_A     D    58_A     15   25   66     11   13   14   19   42   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     T    59_A     T    59_A     15   25   66     11   13   14   17   26   40   52   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     G    60_A     G    60_A     15   25   66     11   13   14   18   24   40   52   61   62   63   65   67   68   69   70   70   72   73   74   74 
LCS_GDT     L    61_A     L    61_A      3   18   66      3   20   26   29   47   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     R    62_A     R    62_A      3    3   66      3    4    5    8   10   26   33   47   60   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     F    63_A     F    63_A      3    4   66      3    3    3    3   21   28   35   52   60   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     L    64_A     L    64_A      3    4   66      3    3    7    9   24   35   45   53   60   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     R    65_A     R    65_A      3    4   66      3    3    3    7   14   16   25   27   33   38   45   52   57   62   67   69   72   73   74   74 
LCS_GDT     L    66_A     L    66_A      3    4   66      3    3    3    4    6   11   19   23   27   31   39   46   51   58   62   65   69   73   74   74 
LCS_GDT     I    67_A     I    67_A      3    4   66      3    3    5    9   14   16   25   27   35   38   44   52   57   62   67   68   72   73   74   74 
LCS_GDT     R    68_A     R    68_A      3    4   66      3    3    3    4    4   10   13   18   23   27   30   33   39   46   50   54   59   65   67   72 
LCS_GDT     E    69_A     E    69_A      3    7   18      1    3    3    6    7    8    9   11   14   17   21   24   29   32   39   41   45   50   56   59 
LCS_GDT     R    70_A     R    70_A      3    7   19      3    3    4    6    7    8    9   11   14   17   21   24   26   30   39   41   45   46   53   57 
LCS_GDT     Y    71_A     Y    71_A      3    7   21      3    3    4    6    7    8   10   14   21   28   30   36   40   41   45   46   48   49   50   57 
LCS_GDT     E    72_A     E    72_A      3    7   21      3    3    4    5    5    8   12   14   16   28   33   37   41   44   45   47   48   49   50   51 
LCS_GDT     D    73_A     D    73_A      3    7   41      3    3    5    7    7   10   15   22   26   31   35   37   41   44   45   47   48   49   50   51 
LCS_GDT     G    74_A     G    74_A      3    8   41      3    3    5    7    7   10   13   14   16   18   19   22   25   35   39   44   47   49   50   51 
LCS_GDT     V    75_A     V    75_A      6   11   41      3    5    6    9   10   11   13   14   16   28   35   37   41   44   45   47   48   49   50   57 
LCS_GDT     Y    76_A     Y    76_A      6   11   41      3    6    6    9   11   13   17   22   25   31   35   37   41   46   50   53   59   65   67   72 
LCS_GDT     T    77_A     T    77_A      6   11   41      3    6    6    9   13   15   20   24   30   37   44   50   56   60   66   68   72   73   74   74 
LCS_GDT     V    78_A     V    78_A      6   11   41      3    7   10   16   24   35   45   55   60   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     E    79_A     E    79_A      6   11   41      3    6    6    9   39   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     D    80_A     D    80_A      6   11   41      3    6   11   16   29   41   52   59   62   63   64   67   67   69   70   70   71   71   71   73 
LCS_GDT     I    81_A     I    81_A      5   11   41      4    5    6    9   10   11   17   28   32   40   58   60   63   65   66   67   69   70   71   73 
LCS_GDT     V    82_A     V    82_A      5   11   41      4    5    5    9   10   11   13   18   24   30   35   37   41   44   45   47   48   53   63   65 
LCS_GDT     S    83_A     S    83_A      5   11   41      4    5    5    9   10   11   14   19   27   31   35   37   41   44   45   47   48   53   54   55 
LCS_GDT     R    84_A     R    84_A      5   11   41      4    5    5    9   10   11   17   22   27   31   35   37   41   44   45   47   48   49   50   51 
LCS_GDT     D    85_A     D    85_A      5   11   41      3    5    5    6   10   11   13   17   24   29   32   37   41   44   45   47   48   49   50   51 
LCS_GDT     D    86_A     D    86_A      5    6   41      3    4    5    6    8   10   17   23   27   31   35   37   41   44   45   47   48   49   50   51 
LCS_GDT     G    87_A     G    87_A      4    7   41      3    4    4    7   15   18   18   23   27   31   35   37   41   44   45   47   48   49   50   51 
LCS_GDT     R    88_A     R    88_A      7   12   41      4    5    9   10   15   18   18   23   26   31   35   37   41   44   45   47   48   49   50   51 
LCS_GDT     Y    89_A     Y    89_A      8   12   41      4    5    9   11   14   18   18   22   27   31   35   37   41   44   45   47   48   49   50   51 
LCS_GDT     Y    90_A     Y    90_A      8   12   41      4    5    9   12   15   18   18   23   27   31   35   37   41   44   45   47   48   53   54   55 
LCS_GDT     R    91_A     R    91_A      8   12   41      4    5    9   10   11   14   16   21   24   27   29   35   40   53   54   57   62   67   68   70 
LCS_GDT     H    92_A     H    92_A      8   12   41      3    6    9   12   16   18   28   37   42   54   58   64   65   68   68   70   71   71   71   73 
LCS_GDT     T    93_A     T    93_A      8   12   41      3    6   14   31   45   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     S    94_A     S    94_A      8   12   41      5    6    9   12   15   18   23   48   60   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     T    95_A     T    95_A      8   12   41      5    6    9   12   15   18   19   23   30   37   47   55   63   66   69   70   72   73   74   74 
LCS_GDT     L    96_A     L    96_A      8   12   41      5    6    9   10   12   15   17   22   27   31   35   41   45   49   55   59   63   68   70   73 
LCS_GDT     R    97_A     R    97_A      7   12   41      5    6    9   10   12   15   17   22   27   31   35   37   41   44   45   48   51   53   60   69 
LCS_GDT     R    98_A     R    98_A      7   12   41      5    5    7    9   11   15   17   22   26   31   35   37   41   44   45   47   48   49   50   52 
LCS_GDT     Q    99_A     Q    99_A      3   12   41      0    3    4    7   10   14   17   21   26   31   35   37   41   44   45   47   48   49   50   51 
LCS_GDT     P   100_A     P   100_A      3    7   41      3    3    5    6    9   12   15   20   23   28   35   37   41   44   45   47   48   49   50   51 
LCS_GDT     D   101_A     D   101_A      3    7   41      3    3    5    6    8   11   14   16   20   28   35   37   40   44   45   47   48   49   50   51 
LCS_GDT     G   102_A     G   102_A      3    7   41      3    3    5    5    7   10   14   17   23   28   35   37   41   44   45   47   48   49   50   51 
LCS_GDT     S   103_A     S   103_A      3   11   41      2    3    5    6   11   15   17   22   26   31   35   37   41   44   45   47   48   49   50   51 
LCS_GDT     Y   104_A     Y   104_A      5   12   41      4    5    6   10   11   15   17   22   27   31   35   37   41   44   45   47   48   49   50   51 
LCS_GDT     V   105_A     V   105_A      5   12   41      4    5    6   10   12   16   18   23   27   31   35   37   41   44   45   47   48   49   57   69 
LCS_GDT     Q   106_A     Q   106_A      7   12   41      4    5    8   12   15   18   18   23   27   31   35   37   41   46   52   58   62   66   69   72 
LCS_GDT     Y   107_A     Y   107_A      7   12   41      6    6    8   12   15   18   25   35   50   61   64   65   68   69   70   70   72   73   74   74 
LCS_GDT     S   108_A     S   108_A      7   12   41      6    6   11   19   44   52   59   61   62   63   66   67   68   69   70   70   72   73   74   74 
LCS_GDT     Q   109_A     Q   109_A      7   12   41      6    6    8   12   16   24   36   46   55   63   65   67   68   69   70   70   71   73   74   74 
LCS_GDT     L   110_A     L   110_A      7   12   41      6    6    8   12   15   18   18   23   27   37   43   52   58   64   65   67   69   70   71   73 
LCS_GDT     E   111_A     E   111_A      7   12   41      6    6    8   12   15   18   18   23   27   31   35   37   41   44   45   47   48   49   50   51 
LCS_GDT     L   112_A     L   112_A      7   12   41      6    6    8   12   15   18   18   23   27   31   35   37   41   44   45   47   48   49   50   51 
LCS_GDT     L   113_A     L   113_A      7   12   41      3    6    8   11   15   18   18   23   27   31   35   37   41   44   45   47   48   49   50   51 
LCS_GDT     G   114_A     G   114_A      5   12   40      3    4    6    8   11   18   18   23   26   30   33   37   41   44   45   47   48   49   50   51 
LCS_GDT     S   115_A     S   115_A      3   12   39      3    3    4    8   11   13   13   14   16   17   18   28   35   37   41   44   48   48   49   51 
LCS_GDT     G   116_A     G   116_A      3    4   30      0    3    3    3    3    5    7   12   15   17   18   28   29   32   35   39   42   43   48   49 
LCS_AVERAGE  LCS_A:  29.07  (  11.90   27.42   47.90 )

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     11     21     30     38     47     52     59     61     62     63     66     67     68     69     70     70     72     73     74     74 
GDT PERCENT_AT   9.65  18.42  26.32  33.33  41.23  45.61  51.75  53.51  54.39  55.26  57.89  58.77  59.65  60.53  61.40  61.40  63.16  64.04  64.91  64.91
GDT RMS_LOCAL    0.30   0.68   0.98   1.27   1.62   1.83   2.10   2.23   2.29   2.38   2.73   2.75   2.88   2.97   3.09   3.09   4.03   4.10   4.35   4.35
GDT RMS_ALL_AT  18.29  16.93  16.96  16.90  16.72  16.68  16.70  16.72  16.71  16.74  16.60  16.70  16.61  16.64  16.61  16.61  16.42  16.42  16.39  16.39

# Checking swapping
#   possible swapping detected:  E     6_A      E     6_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  Y    11_A      Y    11_A
#   possible swapping detected:  Y    12_A      Y    12_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  D    23_A      D    23_A
#   possible swapping detected:  Y    24_A      Y    24_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  E    33_A      E    33_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    51_A      E    51_A
#   possible swapping detected:  D    58_A      D    58_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  Y    76_A      Y    76_A
#   possible swapping detected:  E    79_A      E    79_A
#   possible swapping detected:  D    86_A      D    86_A
#   possible swapping detected:  D   101_A      D   101_A
#   possible swapping detected:  Y   104_A      Y   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_A      G     3_A     1.830     0    0.597   0.597     4.391   68.214   68.214
LGA    E     4_A      E     4_A     1.351     0    0.069   1.168     7.391   85.952   56.508
LGA    E     5_A      E     5_A     1.136     0    0.027   0.923     5.799   83.690   62.487
LGA    E     6_A      E     6_A     1.592     0    0.042   0.870     3.975   79.286   64.709
LGA    R     7_A      R     7_A     1.163     0    0.039   1.078     6.050   85.952   56.710
LGA    F     8_A      F     8_A     1.013     0    0.059   0.324     4.127   83.690   64.675
LGA    R     9_A      R     9_A     1.719     0    0.034   1.113     5.710   72.976   52.468
LGA    A    10_A      A    10_A     1.817     0    0.055   0.062     2.066   70.833   71.238
LGA    Y    11_A      Y    11_A     1.076     0    0.072   0.575     2.660   81.429   77.381
LGA    Y    12_A      Y    12_A     1.855     0    0.070   1.329    10.726   68.810   39.603
LGA    E    13_A      E    13_A     2.772     0    0.039   0.082     3.483   59.048   54.815
LGA    R    14_A      R    14_A     1.863     0    0.049   1.179     4.492   75.119   66.797
LGA    Y    15_A      Y    15_A     1.247     0    0.099   0.143     3.846   77.143   65.437
LGA    F    16_A      F    16_A     1.873     0    0.026   1.254     9.811   72.857   40.390
LGA    A    17_A      A    17_A     1.701     0    0.041   0.044     1.755   72.857   72.857
LGA    A    18_A      A    18_A     1.445     0    0.049   0.049     1.544   79.286   79.714
LGA    L    19_A      L    19_A     1.687     0    0.076   1.405     3.404   72.857   66.131
LGA    A    20_A      A    20_A     2.005     0    0.084   0.090     2.337   70.833   69.619
LGA    A    21_A      A    21_A     1.111     0    0.084   0.084     1.450   83.690   83.238
LGA    R    22_A      R    22_A     0.875     0    0.067   0.939     4.070   86.190   71.169
LGA    D    23_A      D    23_A     1.250     0    0.074   0.211     2.157   81.548   77.262
LGA    Y    24_A      Y    24_A     2.957     0    0.047   0.527     5.321   59.048   43.611
LGA    E    25_A      E    25_A     3.500     0    0.063   1.286     6.161   51.905   40.212
LGA    T    26_A      T    26_A     1.909     0    0.031   0.082     2.747   75.119   70.748
LGA    L    27_A      L    27_A     1.245     0    0.024   1.195     4.772   81.429   69.940
LGA    L    28_A      L    28_A     2.013     0    0.066   1.384     6.068   70.833   58.214
LGA    E    29_A      E    29_A     1.226     0    0.049   0.731     4.717   85.952   62.857
LGA    I    30_A      I    30_A     0.977     0    0.088   0.689     2.093   85.952   76.369
LGA    L    31_A      L    31_A     1.957     0    0.064   0.078     2.505   69.048   67.917
LGA    R    32_A      R    32_A     2.165     0    0.038   1.067     8.932   68.810   42.468
LGA    E    33_A      E    33_A     1.211     0    0.068   0.573     2.616   77.143   78.836
LGA    F    34_A      F    34_A     2.655     0    0.112   0.930     4.507   57.262   48.009
LGA    G    35_A      G    35_A     3.618     0    0.115   0.115     4.143   45.119   45.119
LGA    V    36_A      V    36_A     2.346     0    0.344   0.437     5.688   71.190   56.122
LGA    A    37_A      A    37_A     2.237     0    0.664   0.641     4.660   72.976   64.667
LGA    K    38_A      K    38_A     2.114     0    0.500   0.783     4.387   55.952   56.032
LGA    L    39_A      L    39_A     1.288     0    0.090   0.988     3.532   83.690   72.560
LGA    V    40_A      V    40_A     1.421     0    0.091   0.098     2.363   81.548   76.667
LGA    L    41_A      L    41_A     1.620     0    0.196   0.958     3.050   72.857   73.393
LGA    N    42_A      N    42_A     3.753     0    0.043   0.978     5.168   42.857   37.917
LGA    G    43_A      G    43_A     4.748     0    0.158   0.158     4.748   38.810   38.810
LGA    R    44_A      R    44_A     2.155     0    0.096   0.913     3.858   66.905   59.481
LGA    E    45_A      E    45_A     1.690     0    0.031   0.636     6.249   84.048   55.238
LGA    F    46_A      F    46_A     0.366     0    0.075   0.190     1.411   92.857   88.918
LGA    A    47_A      A    47_A     1.193     0    0.720   0.648     2.369   84.167   80.286
LGA    S    48_A      S    48_A     1.772     0    0.158   0.242     3.300   67.262   71.984
LGA    P    49_A      P    49_A     2.618     0    0.072   0.398     4.382   62.857   54.558
LGA    E    50_A      E    50_A     1.591     0    0.022   1.212     5.059   77.143   64.709
LGA    E    51_A      E    51_A     1.301     0    0.020   1.017     3.842   77.143   68.360
LGA    A    52_A      A    52_A     2.207     0    0.046   0.045     2.419   66.786   66.381
LGA    V    53_A      V    53_A     2.261     0    0.056   0.054     3.269   68.810   64.966
LGA    Q    54_A      Q    54_A     1.159     0    0.039   0.076     2.034   75.119   78.677
LGA    W    55_A      W    55_A     2.183     0    0.102   1.271     7.708   61.190   42.789
LGA    A    56_A      A    56_A     3.168     0    0.044   0.046     3.648   50.119   50.095
LGA    R    57_A      R    57_A     2.761     0    0.033   1.313     8.280   55.357   35.584
LGA    D    58_A      D    58_A     3.241     0    0.057   0.167     4.287   46.905   51.131
LGA    T    59_A      T    59_A     4.499     0    0.180   1.110     5.895   35.833   34.218
LGA    G    60_A      G    60_A     4.633     0    0.402   0.402     4.633   48.095   48.095
LGA    L    61_A      L    61_A     3.531     0    0.601   1.352     9.534   47.738   28.452
LGA    R    62_A      R    62_A     6.202     0    0.578   1.207    10.806   20.714    9.264
LGA    F    63_A      F    63_A     6.213     0    0.614   0.967    10.529   17.143    9.177
LGA    L    64_A      L    64_A     7.827     0    0.219   0.950    11.220    4.286    8.750
LGA    R    65_A      R    65_A    14.630     0    0.577   1.248    23.721    0.000    0.000
LGA    L    66_A      L    66_A    16.177     0    0.613   1.387    21.494    0.000    0.000
LGA    I    67_A      I    67_A    15.952     0    0.069   0.644    19.297    0.000    0.000
LGA    R    68_A      R    68_A    22.163     0    0.598   1.454    28.632    0.000    0.000
LGA    E    69_A      E    69_A    26.695     0    0.634   0.928    29.834    0.000    0.000
LGA    R    70_A      R    70_A    28.943     0    0.652   1.072    31.144    0.000    0.000
LGA    Y    71_A      Y    71_A    29.948     0    0.080   1.281    32.722    0.000    0.000
LGA    E    72_A      E    72_A    34.219     0    0.680   1.371    37.002    0.000    0.000
LGA    D    73_A      D    73_A    34.043     0    0.198   1.006    37.307    0.000    0.000
LGA    G    74_A      G    74_A    30.748     0    0.569   0.569    31.840    0.000    0.000
LGA    V    75_A      V    75_A    25.670     0    0.207   0.312    28.041    0.000    0.000
LGA    Y    76_A      Y    76_A    19.517     0    0.064   1.317    21.371    0.000    0.000
LGA    T    77_A      T    77_A    14.736     0    0.192   0.964    17.775    0.000    0.000
LGA    V    78_A      V    78_A     7.238     0    0.190   0.231     9.862   13.333   15.782
LGA    E    79_A      E    79_A     3.495     0    0.047   0.933     7.299   58.214   37.778
LGA    D    80_A      D    80_A     5.619     0    0.227   1.077     8.979   18.690   13.869
LGA    I    81_A      I    81_A    11.453     0    0.631   0.693    15.449    0.357    1.131
LGA    V    82_A      V    82_A    17.167     0    0.112   1.101    18.592    0.000    0.000
LGA    S    83_A      S    83_A    21.851     0    0.092   0.533    24.436    0.000    0.000
LGA    R    84_A      R    84_A    26.838     0    0.126   1.125    29.862    0.000    0.000
LGA    D    85_A      D    85_A    31.484     0    0.623   1.290    35.396    0.000    0.000
LGA    D    86_A      D    86_A    34.444     0    0.695   1.321    34.819    0.000    0.000
LGA    G    87_A      G    87_A    36.046     0    0.556   0.556    36.046    0.000    0.000
LGA    R    88_A      R    88_A    31.712     0    0.617   1.515    34.866    0.000    0.000
LGA    Y    89_A      Y    89_A    26.097     0    0.044   1.080    33.214    0.000    0.000
LGA    Y    90_A      Y    90_A    20.195     0    0.045   0.215    29.265    0.000    0.000
LGA    R    91_A      R    91_A    14.949     0    0.089   0.697    19.424    0.000    0.000
LGA    H    92_A      H    92_A     8.877     0    0.042   1.370    10.718   10.357    4.714
LGA    T    93_A      T    93_A     3.054     0    0.128   0.123     5.778   35.238   44.014
LGA    S    94_A      S    94_A     5.591     0    0.073   0.743     7.317   22.857   26.825
LGA    T    95_A      T    95_A    11.770     0    0.062   0.056    15.255    0.119    0.068
LGA    L    96_A      L    96_A    16.263     0    0.046   0.934    19.752    0.000    0.000
LGA    R    97_A      R    97_A    23.321     0    0.137   1.340    24.970    0.000    0.000
LGA    R    98_A      R    98_A    28.796     0    0.110   1.238    31.788    0.000    0.000
LGA    Q    99_A      Q    99_A    34.557     0    0.628   1.091    37.314    0.000    0.000
LGA    P   100_A      P   100_A    36.956     0    0.619   0.610    37.623    0.000    0.000
LGA    D   101_A      D   101_A    38.015     0    0.143   1.189    38.015    0.000    0.000
LGA    G   102_A      G   102_A    35.963     0    0.740   0.740    36.617    0.000    0.000
LGA    S   103_A      S   103_A    32.077     0    0.115   0.633    34.587    0.000    0.000
LGA    Y   104_A      Y   104_A    26.383     0    0.435   0.985    33.006    0.000    0.000
LGA    V   105_A      V   105_A    21.323     0    0.100   0.104    24.377    0.000    0.000
LGA    Q   106_A      Q   106_A    14.537     0    0.084   0.860    17.207    0.000    0.000
LGA    Y   107_A      Y   107_A     8.226     0    0.183   0.215    19.027   13.095    4.603
LGA    S   108_A      S   108_A     2.985     0    0.074   0.601     5.776   52.143   43.571
LGA    Q   109_A      Q   109_A     6.386     0    0.067   0.099    14.794   18.095    8.836
LGA    L   110_A      L   110_A    11.543     0    0.079   1.329    14.188    0.357    0.179
LGA    E   111_A      E   111_A    17.966     0    0.056   1.305    20.551    0.000    0.000
LGA    L   112_A      L   112_A    24.284     0    0.147   1.065    30.046    0.000    0.000
LGA    L   113_A      L   113_A    28.624     0    0.687   0.641    32.933    0.000    0.000
LGA    G   114_A      G   114_A    34.647     0    0.283   0.283    35.518    0.000    0.000
LGA    S   115_A      S   115_A    38.087     0    0.699   0.606    40.996    0.000    0.000
LGA    G   116_A      G   116_A    38.844     0    0.168   0.168    38.844    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      114     456    456  100.00     953    953  100.00               114
SUMMARY(RMSD_GDC):    15.533         15.523                 15.539           38.711   33.459

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0     61    2.23    41.667    40.813     2.615

LGA_LOCAL      RMSD:   2.233  Number of atoms:   61  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.722  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:  15.533  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.825469 * X  +   0.329650 * Y  +   0.458182 * Z  +  -8.539742
  Y_new =  -0.067089 * X  +   0.748682 * Y  +  -0.659526 * Z  +  -2.401366
  Z_new =  -0.560446 * X  +  -0.575157 * Y  +  -0.595899 * Z  +  65.526665 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.060498  0.594924 -2.373904   [DEG: -175.3536   34.0866 -136.0147 ]
ZXZ:  0.607170  2.209180 -2.369148   [DEG:   34.7883  126.5767 -135.7422 ]
 
# END of job
