
#######################################################
#                                                     #
#                        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:    67       3_A - 69_A        4.96    16.31
  LCS_AVERAGE:     48.11

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    46       3_A - 48_A        1.98    16.60
  LCS_AVERAGE:     23.10

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      11_A - 36_A        0.99    17.22
  LCS_AVERAGE:     11.28

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     25   46   67      7   16   20   29   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     E     4_A     E     4_A     25   46   67     11   16   24   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     E     5_A     E     5_A     25   46   67     11   18   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     E     6_A     E     6_A     25   46   67     11   16   24   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     R     7_A     R     7_A     25   46   67     11   16   24   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     F     8_A     F     8_A     25   46   67     11   16   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     R     9_A     R     9_A     25   46   67     11   18   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     A    10_A     A    10_A     25   46   67     11   18   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     Y    11_A     Y    11_A     26   46   67     11   18   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     Y    12_A     Y    12_A     26   46   67     11   18   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     E    13_A     E    13_A     26   46   67     11   21   24   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     R    14_A     R    14_A     26   46   67     11   21   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     Y    15_A     Y    15_A     26   46   67     10   21   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     F    16_A     F    16_A     26   46   67     10   21   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     A    17_A     A    17_A     26   46   67     10   21   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     A    18_A     A    18_A     26   46   67     10   21   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     L    19_A     L    19_A     26   46   67     10   21   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     A    20_A     A    20_A     26   46   67     10   21   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     A    21_A     A    21_A     26   46   67      9   21   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     R    22_A     R    22_A     26   46   67      9   21   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     D    23_A     D    23_A     26   46   67      9   21   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     Y    24_A     Y    24_A     26   46   67      5   19   24   29   40   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     E    25_A     E    25_A     26   46   67      7   17   24   29   32   45   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     T    26_A     T    26_A     26   46   67      7   21   24   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     L    27_A     L    27_A     26   46   67      9   21   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     L    28_A     L    28_A     26   46   67      9   21   24   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     E    29_A     E    29_A     26   46   67      7   21   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     I    30_A     I    30_A     26   46   67      8   21   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     L    31_A     L    31_A     26   46   67      8   21   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     R    32_A     R    32_A     26   46   67      5   21   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     E    33_A     E    33_A     26   46   67      5   14   24   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     F    34_A     F    34_A     26   46   67      5   21   24   33   41   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     G    35_A     G    35_A     26   46   67      7   21   24   32   41   48   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     V    36_A     V    36_A     26   46   67      2    6   19   32   41   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     A    37_A     A    37_A      6   46   67      1    5   15   26   41   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     K    38_A     K    38_A      6   46   67      3    8   15   20   31   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     L    39_A     L    39_A      8   46   67      4    8   19   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     V    40_A     V    40_A      8   46   67      4   15   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     L    41_A     L    41_A      8   46   67      3    9   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     N    42_A     N    42_A      8   46   67      4    8   13   24   40   48   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     G    43_A     G    43_A      8   46   67      3    4    9   17   27   39   50   56   61   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     R    44_A     R    44_A     11   46   67      4   10   25   33   41   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     E    45_A     E    45_A     11   46   67      4    9   25   33   41   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     F    46_A     F    46_A     15   46   67     10   15   25   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     A    47_A     A    47_A     15   46   67     10   15   23   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     S    48_A     S    48_A     15   46   67      8   13   15   26   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     P    49_A     P    49_A     15   45   67     11   13   14   20   27   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     E    50_A     E    50_A     15   43   67     11   13   15   31   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     E    51_A     E    51_A     15   25   67     11   13   23   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     A    52_A     A    52_A     15   25   67     11   13   21   28   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     V    53_A     V    53_A     15   25   67     10   13   15   27   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     Q    54_A     Q    54_A     15   25   67     11   13   21   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     W    55_A     W    55_A     15   25   67     11   13   15   29   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     A    56_A     A    56_A     15   25   67     11   13   14   20   26   42   51   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     R    57_A     R    57_A     15   25   67     11   13   14   20   23   37   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     D    58_A     D    58_A     15   25   67     11   13   14   18   23   38   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     T    59_A     T    59_A     15   25   67     11   13   14   18   22   25   38   52   59   62   64   68   68   69   70   70   73   74   74   76 
LCS_GDT     G    60_A     G    60_A     15   25   67     11   13   14   18   23   25   27   50   57   61   64   68   68   69   70   70   73   74   74   76 
LCS_GDT     L    61_A     L    61_A      3   18   67      3   21   24   30   41   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     R    62_A     R    62_A      3    3   67      3    5    7   12   19   21   43   56   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     F    63_A     F    63_A      3    4   67      3    5    6   16   26   40   50   56   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     L    64_A     L    64_A      3    4   67      3    3    6    9   16   29   44   54   61   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     R    65_A     R    65_A      3    4   67      3    3    3    4    8   18   23   26   32   39   48   57   64   67   69   70   73   74   74   76 
LCS_GDT     L    66_A     L    66_A      3    4   67      3    3    3    4    7   10   19   24   29   37   41   51   59   64   67   70   72   74   74   76 
LCS_GDT     I    67_A     I    67_A      3    4   67      3    4    5    6   13   19   23   26   34   41   48   61   64   67   69   70   73   74   74   76 
LCS_GDT     R    68_A     R    68_A      3    4   67      0    3    3    4    7   11   16   23   26   29   31   38   42   48   53   62   67   71   72   75 
LCS_GDT     E    69_A     E    69_A      3    7   67      0    3    3    6    7   10   10   13   15   16   19   24   29   33   37   40   46   56   59   63 
LCS_GDT     R    70_A     R    70_A      3    7   19      2    3    4    6    7   10   10   13   15   16   19   23   28   33   37   40   50   56   59   60 
LCS_GDT     Y    71_A     Y    71_A      3    7   20      0    3    4    6    7   10   10   16   21   24   29   33   37   41   46   47   47   49   54   56 
LCS_GDT     E    72_A     E    72_A      3    7   20      2    3    4    4    6    9   10   17   18   18   29   34   39   42   46   47   48   49   50   50 
LCS_GDT     D    73_A     D    73_A      3    8   20      1    3    5    7    9   13   13   17   18   18   31   37   39   42   46   47   48   49   50   50 
LCS_GDT     G    74_A     G    74_A      3    9   20      2    3    5    7   10   13   13   17   18   18   18   20   22   25   32   43   43   49   50   50 
LCS_GDT     V    75_A     V    75_A      6   11   40      4    5    7    9   10   13   13   17   18   25   31   37   40   42   46   47   48   49   54   59 
LCS_GDT     Y    76_A     Y    76_A      6   11   40      4    5    7    9   10   13   16   23   26   29   32   37   42   48   55   62   67   71   73   76 
LCS_GDT     T    77_A     T    77_A      6   11   40      4    5    7    9   11   17   23   26   32   39   47   56   64   66   69   70   73   74   74   76 
LCS_GDT     V    78_A     V    78_A      6   11   40      4    7    8   14   24   33   50   56   61   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     E    79_A     E    79_A      6   11   40      3    5    7   25   41   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     D    80_A     D    80_A      6   11   40      3    6   10   16   23   34   46   52   57   61   63   65   67   69   70   70   71   71   72   75 
LCS_GDT     I    81_A     I    81_A      5   11   40      4    5    6    9   10   13   13   17   18   18   34   41   45   52   63   68   70   70   71   72 
LCS_GDT     V    82_A     V    82_A      5   11   40      4    5    5    9   10   13   13   17   19   29   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     S    83_A     S    83_A      5   11   40      4    5    5    9   10   13   13   20   26   29   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     R    84_A     R    84_A      5   11   40      4    5    5    9   10   13   18   23   26   29   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     D    85_A     D    85_A      5   11   40      3    5    5    6    7   13   13   20   24   28   30   34   38   42   46   47   48   49   50   50 
LCS_GDT     D    86_A     D    86_A      5    6   40      3    4    5    6    9   11   18   23   26   29   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     G    87_A     G    87_A      4   12   40      3    4    4    8   12   17   18   23   26   29   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     R    88_A     R    88_A      8   12   40      4    6    9   11   12   17   18   22   26   29   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     Y    89_A     Y    89_A      8   12   40      4    6    9   14   14   17   18   23   26   29   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     Y    90_A     Y    90_A      8   12   40      4    6    9   14   14   17   18   23   26   29   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     R    91_A     R    91_A      8   12   40      4    4    9   11   11   15   17   20   23   26   31   34   40   42   51   54   57   61   62   70 
LCS_GDT     H    92_A     H    92_A      8   12   40      3    7    9   14   15   19   23   31   38   45   58   62   65   67   68   69   71   71   71   75 
LCS_GDT     T    93_A     T    93_A      8   12   40      4    8   17   26   38   46   55   59   62   63   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     S    94_A     S    94_A      8   12   40      5    7    9   14   14   18   49   57   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     T    95_A     T    95_A      8   12   40      5    7    9   14   14   17   18   26   39   43   59   65   66   67   69   70   73   74   74   76 
LCS_GDT     L    96_A     L    96_A      8   12   40      5    7    9   11   11   15   18   23   26   29   36   42   43   53   58   66   68   71   74   76 
LCS_GDT     R    97_A     R    97_A      7   12   40      5    7    9   11   12   15   18   22   26   29   34   37   40   42   46   47   50   56   68   70 
LCS_GDT     R    98_A     R    98_A      7   12   40      5    7    8   11   11   15   16   20   25   29   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     Q    99_A     Q    99_A      3   12   40      0    3    4    8   11   15   16   20   23   29   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     P   100_A     P   100_A      3    7   40      3    3    4    6    8   12   16   20   23   27   32   37   40   42   46   47   48   49   50   50 
LCS_GDT     D   101_A     D   101_A      4    7   40      3    3    4    6    8   12   14   19   23   28   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     G   102_A     G   102_A      4    7   40      3    3    4    5    7   12   14   16   24   28   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     S   103_A     S   103_A      4    7   40      3    3    4    6    8   13   16   20   24   29   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     Y   104_A     Y   104_A      5   12   40      4    5    7   10   11   15   18   22   26   29   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     V   105_A     V   105_A      5   12   40      4    5    7   10   12   15   18   23   26   29   34   37   40   42   46   47   50   64   68   70 
LCS_GDT     Q   106_A     Q   106_A      7   12   40      4    5    8   14   14   17   18   23   26   29   38   42   42   47   57   66   68   72   74   76 
LCS_GDT     Y   107_A     Y   107_A      7   12   40      6    6    8   14   16   26   37   51   60   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     S   108_A     S   108_A      7   12   40      6    8   21   33   42   49   55   59   62   64   66   68   68   69   70   70   73   74   74   76 
LCS_GDT     Q   109_A     Q   109_A      7   12   40      6    6    8   14   14   17   20   25   32   52   59   65   66   68   70   70   73   74   74   76 
LCS_GDT     L   110_A     L   110_A      7   12   40      6    6    8   14   14   17   18   23   26   29   34   37   44   49   51   64   67   69   70   72 
LCS_GDT     E   111_A     E   111_A      7   12   40      6    6    8   14   14   17   18   23   26   29   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     L   112_A     L   112_A      7   12   40      6    6    8   14   14   17   18   23   26   29   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     L   113_A     L   113_A      7   12   40      3    6    8   14   14   17   18   23   26   29   34   37   40   42   46   47   48   49   50   50 
LCS_GDT     G   114_A     G   114_A      6   12   40      3    4    6    8   12   16   18   22   26   28   33   34   39   42   46   47   48   49   50   50 
LCS_GDT     S   115_A     S   115_A      3   12   34      3    3    5    7   11   12   14   14   15   20   22   25   31   36   38   42   45   46   48   50 
LCS_GDT     G   116_A     G   116_A      0    3   30      0    0    3    3    3    4    7    8   13   16   20   29   31   34   38   39   42   45   48   50 
LCS_AVERAGE  LCS_A:  27.50  (  11.28   23.10   48.11 )

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     25     33     42     49     55     59     62     64     66     68     68     69     70     70     73     74     74     76 
GDT PERCENT_AT   9.65  18.42  21.93  28.95  36.84  42.98  48.25  51.75  54.39  56.14  57.89  59.65  59.65  60.53  61.40  61.40  64.04  64.91  64.91  66.67
GDT RMS_LOCAL    0.27   0.68   1.10   1.34   1.65   1.87   2.11   2.29   2.47   2.72   2.81   2.96   2.96   3.08   3.21   3.21   4.00   4.22   4.29   4.61
GDT RMS_ALL_AT  18.68  17.36  16.67  16.61  16.60  16.55  16.59  16.59  16.56  16.46  16.48  16.49  16.49  16.52  16.52  16.52  16.34  16.32  16.31  16.29

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E     6_A      E     6_A
#   possible swapping detected:  Y    11_A      Y    11_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    29_A      E    29_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  D    58_A      D    58_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  E    79_A      E    79_A
#   possible swapping detected:  D    80_A      D    80_A
#   possible swapping detected:  D    86_A      D    86_A
#   possible swapping detected:  D   101_A      D   101_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_A      G     3_A     2.931     0    0.359   0.359     3.772   59.524   59.524
LGA    E     4_A      E     4_A     2.009     0    0.084   0.330     3.879   70.952   61.852
LGA    E     5_A      E     5_A     0.386     0    0.028   0.952     5.226   92.857   71.270
LGA    E     6_A      E     6_A     1.806     0    0.012   0.874     4.553   75.000   57.672
LGA    R     7_A      R     7_A     2.121     0    0.047   1.257    10.383   70.833   39.307
LGA    F     8_A      F     8_A     0.897     0    0.038   1.225     4.178   95.238   75.974
LGA    R     9_A      R     9_A     1.076     0    0.038   1.105     5.176   83.929   61.818
LGA    A    10_A      A    10_A     1.493     0    0.066   0.083     1.760   79.286   78.000
LGA    Y    11_A      Y    11_A     0.316     0    0.032   0.396     3.760   97.619   76.984
LGA    Y    12_A      Y    12_A     1.440     0    0.074   0.127     4.870   77.381   58.492
LGA    E    13_A      E    13_A     2.289     0    0.061   0.091     3.721   68.810   58.413
LGA    R    14_A      R    14_A     1.342     0    0.023   1.172     4.349   81.548   71.385
LGA    Y    15_A      Y    15_A     0.952     0    0.052   0.131     2.897   85.952   74.643
LGA    F    16_A      F    16_A     1.208     0    0.024   1.114     9.332   81.429   45.714
LGA    A    17_A      A    17_A     1.060     0    0.064   0.060     1.187   81.429   81.429
LGA    A    18_A      A    18_A     0.796     0    0.049   0.047     0.903   90.476   90.476
LGA    L    19_A      L    19_A     0.785     0    0.063   1.409     3.303   90.476   78.036
LGA    A    20_A      A    20_A     1.068     0    0.087   0.098     1.393   85.952   85.048
LGA    A    21_A      A    21_A     1.278     0    0.073   0.069     1.828   81.548   79.810
LGA    R    22_A      R    22_A     1.189     0    0.088   1.126     3.920   77.381   65.584
LGA    D    23_A      D    23_A     1.862     0    0.064   0.176     2.286   72.857   70.833
LGA    Y    24_A      Y    24_A     3.018     0    0.059   0.197     4.763   55.357   42.302
LGA    E    25_A      E    25_A     3.485     0    0.071   0.931     5.119   53.571   41.958
LGA    T    26_A      T    26_A     2.125     0    0.049   0.085     2.774   70.952   67.211
LGA    L    27_A      L    27_A     1.581     0    0.024   1.396     3.748   72.857   70.298
LGA    L    28_A      L    28_A     2.201     0    0.054   1.380     6.071   68.810   56.250
LGA    E    29_A      E    29_A     1.502     0    0.048   0.352     3.184   79.405   68.836
LGA    I    30_A      I    30_A     1.059     0    0.065   0.739     2.078   79.286   77.202
LGA    L    31_A      L    31_A     1.941     0    0.054   0.123     2.922   70.833   64.940
LGA    R    32_A      R    32_A     2.108     0    0.072   1.131     6.645   64.881   50.606
LGA    E    33_A      E    33_A     2.231     0    0.053   0.580     3.799   62.857   57.513
LGA    F    34_A      F    34_A     2.558     0    0.113   1.001     5.431   57.262   47.316
LGA    G    35_A      G    35_A     3.260     0    0.654   0.654     3.260   53.571   53.571
LGA    V    36_A      V    36_A     3.139     0    0.217   1.005     6.966   48.452   42.041
LGA    A    37_A      A    37_A     2.940     0    0.149   0.179     3.131   53.571   54.286
LGA    K    38_A      K    38_A     3.364     0    0.530   1.378     5.643   42.381   44.603
LGA    L    39_A      L    39_A     1.956     0    0.105   1.039     3.936   75.119   64.464
LGA    V    40_A      V    40_A     1.194     0    0.099   0.111     2.295   83.690   76.735
LGA    L    41_A      L    41_A     1.375     0    0.246   0.949     3.366   79.286   75.476
LGA    N    42_A      N    42_A     3.870     0    0.032   0.953     5.462   41.429   36.488
LGA    G    43_A      G    43_A     5.469     0    0.046   0.046     5.509   27.619   27.619
LGA    R    44_A      R    44_A     2.478     0    0.106   0.902     4.408   61.071   54.242
LGA    E    45_A      E    45_A     1.932     0    0.158   0.661     6.012   77.143   52.698
LGA    F    46_A      F    46_A     0.675     0    0.090   0.125     1.381   85.952   84.719
LGA    A    47_A      A    47_A     0.940     0    0.725   0.673     3.323   75.833   73.619
LGA    S    48_A      S    48_A     2.554     0    0.101   0.162     3.080   62.976   58.651
LGA    P    49_A      P    49_A     3.501     0    0.045   0.100     4.717   51.905   44.762
LGA    E    50_A      E    50_A     2.235     0    0.070   1.063     6.539   66.905   49.259
LGA    E    51_A      E    51_A     1.494     0    0.051   1.193     4.142   75.000   66.720
LGA    A    52_A      A    52_A     2.857     0    0.036   0.039     3.301   57.262   55.810
LGA    V    53_A      V    53_A     2.975     0    0.062   0.052     4.098   59.048   53.333
LGA    Q    54_A      Q    54_A     1.650     0    0.041   1.511     5.830   68.810   57.989
LGA    W    55_A      W    55_A     2.566     0    0.108   1.210     8.004   53.810   35.816
LGA    A    56_A      A    56_A     4.160     0    0.044   0.043     4.605   37.262   37.238
LGA    R    57_A      R    57_A     3.753     0    0.039   1.138     9.975   41.786   26.364
LGA    D    58_A      D    58_A     3.957     0    0.047   1.003     6.137   36.071   34.881
LGA    T    59_A      T    59_A     5.473     0    0.156   1.126     6.670   25.119   23.810
LGA    G    60_A      G    60_A     5.896     0    0.417   0.417     5.896   32.381   32.381
LGA    L    61_A      L    61_A     2.713     0    0.589   1.280     8.888   59.286   36.905
LGA    R    62_A      R    62_A     5.263     0    0.598   1.448    15.118   31.786   13.463
LGA    F    63_A      F    63_A     5.075     0    0.625   0.574     5.560   27.500   26.234
LGA    L    64_A      L    64_A     7.284     0    0.060   1.044    10.088    7.500    5.952
LGA    R    65_A      R    65_A    13.404     0    0.636   1.406    22.731    0.000    0.000
LGA    L    66_A      L    66_A    14.595     0    0.600   1.398    19.928    0.000    0.000
LGA    I    67_A      I    67_A    13.967     0    0.083   1.228    16.570    0.000    0.000
LGA    R    68_A      R    68_A    20.249     0    0.585   1.910    26.893    0.000    0.000
LGA    E    69_A      E    69_A    24.888     0    0.629   0.527    27.373    0.000    0.000
LGA    R    70_A      R    70_A    26.900     0    0.637   1.441    28.058    0.000    0.000
LGA    Y    71_A      Y    71_A    28.652     0    0.052   1.223    31.244    0.000    0.000
LGA    E    72_A      E    72_A    33.118     0    0.075   1.156    34.849    0.000    0.000
LGA    D    73_A      D    73_A    33.748     0    0.354   0.597    36.766    0.000    0.000
LGA    G    74_A      G    74_A    30.378     0    0.672   0.672    31.770    0.000    0.000
LGA    V    75_A      V    75_A    24.591     0    0.196   1.111    26.481    0.000    0.000
LGA    Y    76_A      Y    76_A    17.383     0    0.621   1.256    19.960    0.000    0.000
LGA    T    77_A      T    77_A    13.268     0    0.133   0.176    16.679    0.000    0.000
LGA    V    78_A      V    78_A     6.432     0    0.067   0.133     8.962   18.214   20.340
LGA    E    79_A      E    79_A     2.648     0    0.046   0.983     6.860   53.571   39.630
LGA    D    80_A      D    80_A     6.933     0    0.165   1.222     9.637   11.667   11.369
LGA    I    81_A      I    81_A    12.712     0    0.605   0.626    16.608    0.000    0.179
LGA    V    82_A      V    82_A    18.094     0    0.053   0.080    19.077    0.000    0.000
LGA    S    83_A      S    83_A    22.632     0    0.078   0.491    25.029    0.000    0.000
LGA    R    84_A      R    84_A    27.326     0    0.141   1.140    29.771    0.000    0.000
LGA    D    85_A      D    85_A    31.827     0    0.657   1.337    35.809    0.000    0.000
LGA    D    86_A      D    86_A    34.794     0    0.683   1.207    35.465    0.000    0.000
LGA    G    87_A      G    87_A    36.649     0    0.512   0.512    36.649    0.000    0.000
LGA    R    88_A      R    88_A    32.447     0    0.606   1.739    36.581    0.000    0.000
LGA    Y    89_A      Y    89_A    27.014     0    0.048   1.054    33.460    0.000    0.000
LGA    Y    90_A      Y    90_A    21.287     0    0.041   0.179    30.211    0.000    0.000
LGA    R    91_A      R    91_A    16.096     0    0.041   1.126    24.100    0.000    0.000
LGA    H    92_A      H    92_A     9.822     0    0.061   1.237    11.758    5.952    2.429
LGA    T    93_A      T    93_A     3.749     0    0.098   0.096     6.201   34.167   39.184
LGA    S    94_A      S    94_A     4.481     0    0.058   0.066     6.223   34.048   37.222
LGA    T    95_A      T    95_A    10.470     0    0.103   0.096    13.764    1.190    0.748
LGA    L    96_A      L    96_A    15.346     0    0.062   0.881    18.771    0.000    0.000
LGA    R    97_A      R    97_A    22.270     0    0.642   1.051    25.877    0.000    0.000
LGA    R    98_A      R    98_A    28.361     0    0.293   1.533    32.893    0.000    0.000
LGA    Q    99_A      Q    99_A    33.949     0    0.660   0.811    36.324    0.000    0.000
LGA    P   100_A      P   100_A    36.111     0    0.640   0.641    37.590    0.000    0.000
LGA    D   101_A      D   101_A    37.416     0    0.613   1.207    37.453    0.000    0.000
LGA    G   102_A      G   102_A    34.728     0    0.242   0.242    35.758    0.000    0.000
LGA    S   103_A      S   103_A    30.228     0    0.089   0.089    32.332    0.000    0.000
LGA    Y   104_A      Y   104_A    25.095     0    0.446   0.378    30.443    0.000    0.000
LGA    V   105_A      V   105_A    19.738     0    0.079   1.059    21.504    0.000    0.000
LGA    Q   106_A      Q   106_A    12.966     0    0.048   0.871    16.351    0.000    0.000
LGA    Y   107_A      Y   107_A     6.767     0    0.189   0.195    17.962   24.167    8.651
LGA    S   108_A      S   108_A     2.041     0    0.036   0.629     4.986   52.500   46.429
LGA    Q   109_A      Q   109_A     7.831     0    0.058   0.938    15.373    8.810    4.074
LGA    L   110_A      L   110_A    13.102     0    0.094   1.337    15.911    0.000    0.000
LGA    E   111_A      E   111_A    19.521     0    0.044   1.326    22.051    0.000    0.000
LGA    L   112_A      L   112_A    25.758     0    0.140   1.042    31.647    0.000    0.000
LGA    L   113_A      L   113_A    29.955     0    0.687   0.602    34.045    0.000    0.000
LGA    G   114_A      G   114_A    35.800     0    0.251   0.251    36.669    0.000    0.000
LGA    S   115_A      S   115_A    39.262     0    0.609   0.545    42.023    0.000    0.000
LGA    G   116_A      G   116_A    39.723     0    0.092   0.092    39.723    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):    15.432         15.444                 15.360           37.547   32.431

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0     59    2.29    40.132    38.443     2.473

LGA_LOCAL      RMSD:   2.286  Number of atoms:   59  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.585  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:  15.432  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.848631 * X  +   0.116024 * Y  +   0.516105 * Z  +  -5.504021
  Y_new =  -0.256297 * X  +   0.763304 * Y  +  -0.593025 * Z  +  -5.602290
  Z_new =  -0.462750 * X  +  -0.635535 * Y  +  -0.618027 * Z  +  69.166237 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.848291  0.481095 -2.342228   [DEG: -163.1950   27.5647 -134.1998 ]
ZXZ:  0.716158  2.237026 -2.512238   [DEG:   41.0328  128.1722 -143.9406 ]
 
# END of job
