
#######################################################
#                                                     #
#                        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        4.37    17.57
  LCS_AVERAGE:     51.62

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    44      73_A - 116_A       1.99    15.89
  LCS_AVERAGE:     30.44

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34       3_A - 36_A        1.00    18.11
  LCS_AVERAGE:     18.52

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     34   38   66     11   25   36   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     E     4_A     E     4_A     34   38   66     13   27   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     E     5_A     E     5_A     34   38   66     13   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     E     6_A     E     6_A     34   38   66     13   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     R     7_A     R     7_A     34   38   66     13   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     F     8_A     F     8_A     34   38   66     13   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     R     9_A     R     9_A     34   38   66     13   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     A    10_A     A    10_A     34   38   66     13   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     Y    11_A     Y    11_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     Y    12_A     Y    12_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     E    13_A     E    13_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     R    14_A     R    14_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     Y    15_A     Y    15_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     F    16_A     F    16_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     A    17_A     A    17_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     A    18_A     A    18_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     L    19_A     L    19_A     34   38   66     14   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     A    20_A     A    20_A     34   38   66     15   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     A    21_A     A    21_A     34   38   66     15   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     R    22_A     R    22_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     D    23_A     D    23_A     34   38   66     16   27   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     Y    24_A     Y    24_A     34   38   66     15   27   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     E    25_A     E    25_A     34   38   66     15   26   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     T    26_A     T    26_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     L    27_A     L    27_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     L    28_A     L    28_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     E    29_A     E    29_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     I    30_A     I    30_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     L    31_A     L    31_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     R    32_A     R    32_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     E    33_A     E    33_A     34   38   66     16   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     F    34_A     F    34_A     34   38   66     16   27   36   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     G    35_A     G    35_A     34   38   66      3   25   31   40   43   47   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     V    36_A     V    36_A     34   38   66      3   25   30   37   43   46   49   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     A    37_A     A    37_A     31   38   66      3   13   19   31   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     K    38_A     K    38_A      8   38   66      3    7    8   14   25   35   50   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     L    39_A     L    39_A      8   38   66      4    7    8   23   34   45   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     V    40_A     V    40_A     16   38   66      5   11   22   28   34   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     L    41_A     L    41_A     16   24   66      5   11   22   27   34   41   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     N    42_A     N    42_A     16   24   66      5   11   19   26   34   41   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     G    43_A     G    43_A     16   24   66      5   11   20   27   34   48   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     R    44_A     R    44_A     17   24   66      5   13   22   27   34   45   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     E    45_A     E    45_A     17   24   66      5   13   22   28   38   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     F    46_A     F    46_A     17   24   66      8   16   22   39   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     A    47_A     A    47_A     17   24   66      8   24   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     S    48_A     S    48_A     17   24   66     11   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     P    49_A     P    49_A     17   24   66     13   28   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     E    50_A     E    50_A     17   24   66     11   23   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     E    51_A     E    51_A     17   24   66     11   26   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     A    52_A     A    52_A     17   24   66     11   19   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     V    53_A     V    53_A     17   24   66      9   21   37   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     Q    54_A     Q    54_A     17   24   66     11   16   25   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     W    55_A     W    55_A     17   24   66     11   16   28   39   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     A    56_A     A    56_A     17   24   66     11   16   20   37   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     R    57_A     R    57_A     17   24   66     11   16   22   28   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     D    58_A     D    58_A     17   24   66     11   16   22   27   35   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     T    59_A     T    59_A     17   24   66     11   16   20   27   34   48   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     G    60_A     G    60_A     17   24   66      6   14   18   20   27   33   47   56   59   61   63   64   65   66   66   66   69   69   70   70 
LCS_GDT     L    61_A     L    61_A      3   24   66      3    4   15   41   44   49   55   57   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     R    62_A     R    62_A      3    3   66      0    4    4    4    5   17   28   48   52   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     F    63_A     F    63_A      3    4   66      3    3    3    4    4   12   21   36   52   60   62   64   65   66   66   67   69   69   70   70 
LCS_GDT     L    64_A     L    64_A      3    4   66      3    3    3   27   32   45   49   53   58   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     R    65_A     R    65_A      3    4   66      3    3    4    6   11   13   17   26   34   43   48   55   58   62   65   67   69   69   70   70 
LCS_GDT     L    66_A     L    66_A      3    4   66      3    3    3    4    5    8   14   17   22   27   33   41   48   54   57   61   65   68   70   70 
LCS_GDT     I    67_A     I    67_A      3    4   66      3    3    4    8   11   13   17   26   34   42   48   52   58   61   65   67   69   69   70   70 
LCS_GDT     R    68_A     R    68_A      3    4   66      3    3    3    4    4    6    8   15   17   22   27   33   39   46   51   55   58   63   64   66 
LCS_GDT     E    69_A     E    69_A      3    6   49      3    3    3    5    7    9    9   12   12   15   17   20   25   30   33   36   45   51   55   58 
LCS_GDT     R    70_A     R    70_A      5    6   49      3    4    5    5    7    9    9   12   14   17   18   25   46   50   53   55   56   56   57   58 
LCS_GDT     Y    71_A     Y    71_A      5    6   49      4    4    5    5   11   20   35   41   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     E    72_A     E    72_A      5   27   49      4    4    5    5   11   27   36   41   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     D    73_A     D    73_A      5   44   49      4    4   28   31   35   40   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     G    74_A     G    74_A      9   44   49     12   19   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     V    75_A     V    75_A      9   44   49     12   19   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     Y    76_A     Y    76_A      9   44   49     12   22   28   33   38   41   42   43   44   46   48   49   49   50   53   55   57   61   64   66 
LCS_GDT     T    77_A     T    77_A     19   44   49     12   22   28   33   38   41   42   43   44   46   48   49   55   59   65   67   69   69   70   70 
LCS_GDT     V    78_A     V    78_A     19   44   49     14   24   28   33   38   41   42   43   48   56   61   63   65   66   66   67   69   69   70   70 
LCS_GDT     E    79_A     E    79_A     19   44   49     14   24   28   33   38   41   51   56   59   61   63   64   65   66   66   67   69   69   70   70 
LCS_GDT     D    80_A     D    80_A     19   44   49     16   24   28   33   38   41   42   43   44   46   59   62   64   65   66   66   68   68   68   69 
LCS_GDT     I    81_A     I    81_A     19   44   49     16   24   28   33   38   41   42   43   44   46   48   49   49   50   53   59   64   64   65   68 
LCS_GDT     V    82_A     V    82_A     19   44   49     16   24   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   57   61   63 
LCS_GDT     S    83_A     S    83_A     19   44   49     14   24   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     R    84_A     R    84_A     19   44   49     16   24   28   31   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     D    85_A     D    85_A     19   44   49     16   24   27   31   36   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     D    86_A     D    86_A     19   44   49     16   24   28   31   36   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     G    87_A     G    87_A     19   44   49     16   24   28   31   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     R    88_A     R    88_A     19   44   49     16   24   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     Y    89_A     Y    89_A     19   44   49     16   24   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     Y    90_A     Y    90_A     19   44   49     16   24   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   57   61   63 
LCS_GDT     R    91_A     R    91_A     21   44   49     16   24   28   33   38   41   42   43   44   46   48   49   53   62   64   65   67   67   68   69 
LCS_GDT     H    92_A     H    92_A     21   44   49     16   24   28   33   38   41   42   43   46   54   61   62   63   65   66   66   68   68   68   69 
LCS_GDT     T    93_A     T    93_A     21   44   49     14   24   28   33   38   41   42   52   59   61   63   64   65   66   66   66   69   69   70   70 
LCS_GDT     S    94_A     S    94_A     21   44   49     14   24   28   33   38   41   42   43   44   46   48   56   65   66   66   67   69   69   70   70 
LCS_GDT     T    95_A     T    95_A     21   44   49     14   22   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   61   63   67 
LCS_GDT     L    96_A     L    96_A     21   44   49     10   22   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   60 
LCS_GDT     R    97_A     R    97_A     21   44   49      7   22   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     R    98_A     R    98_A     21   44   49      6   22   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     Q    99_A     Q    99_A     21   44   49      7   18   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     P   100_A     P   100_A     21   44   49      7   12   24   28   34   39   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     D   101_A     D   101_A     21   44   49      7   17   27   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     G   102_A     G   102_A     21   44   49      7   22   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     S   103_A     S   103_A     21   44   49      7   22   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     Y   104_A     Y   104_A     21   44   49      7   22   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     V   105_A     V   105_A     21   44   49     12   22   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     Q   106_A     Q   106_A     21   44   49     12   22   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     Y   107_A     Y   107_A     21   44   49     14   22   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     S   108_A     S   108_A     21   44   49     14   22   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   63   64 
LCS_GDT     Q   109_A     Q   109_A     21   44   49     14   24   28   33   38   41   42   43   44   46   48   49   49   50   53   55   58   59   63   64 
LCS_GDT     L   110_A     L   110_A     21   44   49     14   24   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   63   64 
LCS_GDT     E   111_A     E   111_A     21   44   49     16   24   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   57   58   62 
LCS_GDT     L   112_A     L   112_A     14   44   49     16   24   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   58   58 
LCS_GDT     L   113_A     L   113_A     14   44   49     16   24   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   57   58   58 
LCS_GDT     G   114_A     G   114_A     14   44   49     16   24   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     S   115_A     S   115_A     14   44   49     14   24   28   33   38   41   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_GDT     G   116_A     G   116_A     14   44   49      3   10   13   19   34   38   42   43   44   46   48   49   49   50   53   55   56   56   57   58 
LCS_AVERAGE  LCS_A:  33.53  (  18.52   30.44   51.62 )

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     16     28     37     41     44     49     55     57     59     61     63     64     65     66     66     67     69     69     70     70 
GDT PERCENT_AT  14.04  24.56  32.46  35.96  38.60  42.98  48.25  50.00  51.75  53.51  55.26  56.14  57.02  57.89  57.89  58.77  60.53  60.53  61.40  61.40
GDT RMS_LOCAL    0.27   0.63   5.27   1.04   1.24   1.71   2.15   2.22   2.33   2.52   2.72   2.82   2.96   3.12   3.13   3.81   3.94   3.94   4.22   4.22
GDT RMS_ALL_AT  18.62  18.15  18.04  18.00  17.93  17.80  17.68  17.71  17.69  17.67  17.64  17.63  17.62  17.58  17.66  17.54  17.50  17.50  17.49  17.49

# 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:  F     8_A      F     8_A
#   possible swapping detected:  Y    11_A      Y    11_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  E    29_A      E    29_A
#   possible swapping detected:  E    33_A      E    33_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  F    46_A      F    46_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    51_A      E    51_A
#   possible swapping detected:  F    63_A      F    63_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  Y    71_A      Y    71_A
#   possible swapping detected:  D    86_A      D    86_A
#   possible swapping detected:  Y    89_A      Y    89_A
#   possible swapping detected:  D   101_A      D   101_A
#   possible swapping detected:  E   111_A      E   111_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_A      G     3_A     1.391     0    0.386   0.386     2.881   75.357   75.357
LGA    E     4_A      E     4_A     1.210     0    0.064   0.540     1.460   81.429   81.429
LGA    E     5_A      E     5_A     1.754     0    0.015   0.765     3.797   72.857   66.243
LGA    E     6_A      E     6_A     1.809     0    0.032   0.882     3.198   72.857   67.619
LGA    R     7_A      R     7_A     1.400     0    0.017   0.599     2.580   81.429   77.056
LGA    F     8_A      F     8_A     1.599     0    0.052   0.970     4.962   72.976   59.784
LGA    R     9_A      R     9_A     1.983     0    0.072   1.170     3.417   68.810   67.836
LGA    A    10_A      A    10_A     2.006     0    0.021   0.034     2.072   66.786   66.381
LGA    Y    11_A      Y    11_A     2.125     0    0.108   1.441    10.602   68.810   37.540
LGA    Y    12_A      Y    12_A     2.193     0    0.048   1.376     8.045   64.762   44.127
LGA    E    13_A      E    13_A     2.193     0    0.018   0.103     3.166   68.810   62.381
LGA    R    14_A      R    14_A     1.501     0    0.018   0.126     1.782   77.143   80.693
LGA    Y    15_A      Y    15_A     1.457     0    0.027   0.174     3.380   77.143   67.778
LGA    F    16_A      F    16_A     1.661     0    0.031   1.165     9.564   77.143   42.944
LGA    A    17_A      A    17_A     1.192     0    0.063   0.071     1.367   81.429   81.429
LGA    A    18_A      A    18_A     0.912     0    0.051   0.065     1.062   88.214   88.667
LGA    L    19_A      L    19_A     1.411     0    0.051   0.068     1.703   77.143   78.214
LGA    A    20_A      A    20_A     1.516     0    0.076   0.090     1.636   77.143   76.286
LGA    A    21_A      A    21_A     0.490     0    0.064   0.077     1.062   90.595   90.571
LGA    R    22_A      R    22_A     1.794     0    0.049   1.130     3.598   72.976   62.468
LGA    D    23_A      D    23_A     1.542     0    0.030   0.086     1.760   75.000   77.143
LGA    Y    24_A      Y    24_A     2.015     0    0.061   0.085     2.768   66.786   62.897
LGA    E    25_A      E    25_A     2.167     0    0.128   1.253     4.441   70.952   60.423
LGA    T    26_A      T    26_A     1.030     0    0.017   0.041     1.528   86.190   86.735
LGA    L    27_A      L    27_A     0.893     0    0.022   1.351     3.738   90.476   79.048
LGA    L    28_A      L    28_A     1.025     0    0.027   0.062     1.472   88.214   84.821
LGA    E    29_A      E    29_A     0.313     0    0.071   0.387     1.881   95.238   87.619
LGA    I    30_A      I    30_A     0.806     0    0.024   0.044     1.438   88.333   88.274
LGA    L    31_A      L    31_A     1.500     0    0.067   0.094     2.111   75.119   75.060
LGA    R    32_A      R    32_A     0.949     0    0.015   1.060     7.384   83.690   61.645
LGA    E    33_A      E    33_A     1.343     0    0.013   0.528     3.168   75.119   68.624
LGA    F    34_A      F    34_A     2.451     0    0.020   1.008     3.570   61.190   63.333
LGA    G    35_A      G    35_A     3.121     0    0.493   0.493     3.469   51.786   51.786
LGA    V    36_A      V    36_A     3.745     0    0.640   0.512     7.302   43.452   33.741
LGA    A    37_A      A    37_A     2.709     0    0.025   0.049     5.301   49.524   52.571
LGA    K    38_A      K    38_A     5.128     0    0.650   0.943    13.024   36.548   18.254
LGA    L    39_A      L    39_A     4.133     0    0.296   1.300     7.423   38.690   28.571
LGA    V    40_A      V    40_A     3.525     0    0.146   0.173     3.625   45.000   47.143
LGA    L    41_A      L    41_A     4.395     0    0.015   1.111     8.481   37.143   27.917
LGA    N    42_A      N    42_A     4.302     0    0.034   0.082     4.779   37.143   35.000
LGA    G    43_A      G    43_A     3.849     0    0.066   0.066     4.005   43.452   43.452
LGA    R    44_A      R    44_A     3.785     0    0.044   1.052     4.014   43.333   55.108
LGA    E    45_A      E    45_A     3.115     0    0.038   0.637     4.922   55.476   46.138
LGA    F    46_A      F    46_A     1.836     0    0.109   0.262     4.143   70.833   60.606
LGA    A    47_A      A    47_A     1.539     0    0.018   0.042     2.526   71.071   73.143
LGA    S    48_A      S    48_A     2.349     0    0.111   0.183     2.807   70.833   66.270
LGA    P    49_A      P    49_A     1.701     0    0.056   0.131     2.890   77.381   70.952
LGA    E    50_A      E    50_A     1.528     0    0.015   1.231     2.450   77.143   74.974
LGA    E    51_A      E    51_A     0.913     0    0.034   0.988     3.314   88.214   78.254
LGA    A    52_A      A    52_A     0.858     0    0.012   0.020     1.077   90.476   88.667
LGA    V    53_A      V    53_A     0.618     0    0.071   0.086     1.446   88.214   87.891
LGA    Q    54_A      Q    54_A     1.131     0    0.037   0.193     2.828   81.548   73.280
LGA    W    55_A      W    55_A     1.145     0    0.036   0.079     2.975   77.381   72.109
LGA    A    56_A      A    56_A     2.144     0    0.014   0.017     3.003   63.095   63.429
LGA    R    57_A      R    57_A     2.505     0    0.049   1.064     3.660   55.595   57.403
LGA    D    58_A      D    58_A     3.241     0    0.076   0.167     4.305   46.905   51.131
LGA    T    59_A      T    59_A     3.942     0    0.184   1.053     4.658   39.048   39.184
LGA    G    60_A      G    60_A     5.298     0    0.451   0.451     5.298   41.190   41.190
LGA    L    61_A      L    61_A     2.418     0    0.624   1.334     8.160   53.929   34.524
LGA    R    62_A      R    62_A     6.587     0    0.615   1.153    14.474   19.286    7.922
LGA    F    63_A      F    63_A     7.187     0    0.580   0.446    10.112   10.833    5.584
LGA    L    64_A      L    64_A     5.987     0    0.012   0.385     8.625   12.619   18.869
LGA    R    65_A      R    65_A    12.931     0    0.599   1.403    24.185    0.000    0.000
LGA    L    66_A      L    66_A    15.805     0    0.608   1.295    21.652    0.000    0.000
LGA    I    67_A      I    67_A    14.362     0    0.030   0.151    17.644    0.000    0.060
LGA    R    68_A      R    68_A    20.728     0    0.634   1.510    27.252    0.000    0.000
LGA    E    69_A      E    69_A    26.119     0    0.671   0.520    28.834    0.000    0.000
LGA    R    70_A      R    70_A    28.054     0    0.681   1.276    28.686    0.000    0.000
LGA    Y    71_A      Y    71_A    28.808     0    0.009   1.203    31.289    0.000    0.000
LGA    E    72_A      E    72_A    33.326     0    0.080   0.934    34.360    0.000    0.000
LGA    D    73_A      D    73_A    35.655     0    0.121   1.023    42.229    0.000    0.000
LGA    G    74_A      G    74_A    32.402     0    0.677   0.677    33.164    0.000    0.000
LGA    V    75_A      V    75_A    25.393     0    0.034   0.080    27.935    0.000    0.000
LGA    Y    76_A      Y    76_A    19.876     0    0.008   1.196    23.363    0.000    0.000
LGA    T    77_A      T    77_A    12.986     0    0.016   0.066    15.645    0.000    0.000
LGA    V    78_A      V    78_A     8.102     0    0.041   0.046    11.210   14.762    9.796
LGA    E    79_A      E    79_A     3.975     0    0.052   0.904     7.519   24.524   35.132
LGA    D    80_A      D    80_A     8.415     0    0.080   1.031     9.912    5.952    4.702
LGA    I    81_A      I    81_A    14.427     0    0.076   0.631    18.814    0.000    0.000
LGA    V    82_A      V    82_A    16.792     0    0.173   0.442    20.247    0.000    0.000
LGA    S    83_A      S    83_A    23.292     0    0.100   0.185    25.332    0.000    0.000
LGA    R    84_A      R    84_A    26.440     0    0.064   0.634    30.529    0.000    0.000
LGA    D    85_A      D    85_A    32.024     0    0.088   0.423    36.438    0.000    0.000
LGA    D    86_A      D    86_A    36.557     0    0.023   1.036    38.375    0.000    0.000
LGA    G    87_A      G    87_A    35.553     0    0.049   0.049    35.553    0.000    0.000
LGA    R    88_A      R    88_A    31.080     0    0.030   1.070    36.918    0.000    0.000
LGA    Y    89_A      Y    89_A    25.244     0    0.049   1.091    33.403    0.000    0.000
LGA    Y    90_A      Y    90_A    19.390     0    0.023   1.245    28.591    0.000    0.000
LGA    R    91_A      R    91_A    13.276     0    0.005   0.487    15.944    0.000    0.000
LGA    H    92_A      H    92_A     8.685     0    0.025   0.054     9.889   12.976   12.429
LGA    T    93_A      T    93_A     6.436     0    0.021   0.040     9.833    8.690    8.912
LGA    S    94_A      S    94_A     8.771     0    0.102   0.602    10.575    3.214    5.000
LGA    T    95_A      T    95_A    15.144     0    0.031   0.070    18.767    0.000    0.000
LGA    L    96_A      L    96_A    19.565     0    0.024   1.244    22.734    0.000    0.000
LGA    R    97_A      R    97_A    26.818     0    0.020   1.080    30.074    0.000    0.000
LGA    R    98_A      R    98_A    32.132     0    0.027   1.145    40.245    0.000    0.000
LGA    Q    99_A      Q    99_A    38.465     0    0.038   1.077    40.796    0.000    0.000
LGA    P   100_A      P   100_A    45.623     0    0.072   0.120    47.935    0.000    0.000
LGA    D   101_A      D   101_A    45.646     0    0.043   1.090    45.941    0.000    0.000
LGA    G   102_A      G   102_A    39.690     0    0.038   0.038    41.699    0.000    0.000
LGA    S   103_A      S   103_A    34.585     0    0.022   0.051    37.031    0.000    0.000
LGA    Y   104_A      Y   104_A    28.576     0    0.007   1.345    30.369    0.000    0.000
LGA    V   105_A      V   105_A    26.320     0    0.016   0.143    31.173    0.000    0.000
LGA    Q   106_A      Q   106_A    19.359     0    0.048   0.233    21.870    0.000    0.000
LGA    Y   107_A      Y   107_A    18.935     0    0.115   1.229    31.064    0.000    0.000
LGA    S   108_A      S   108_A    14.270     0    0.012   0.028    17.934    0.000    0.000
LGA    Q   109_A      Q   109_A    15.822     0    0.047   0.332    19.063    0.000    0.000
LGA    L   110_A      L   110_A    17.038     0    0.039   0.264    21.072    0.000    0.000
LGA    E   111_A      E   111_A    19.916     0    0.021   1.072    21.007    0.000    0.000
LGA    L   112_A      L   112_A    25.121     0    0.030   0.063    32.518    0.000    0.000
LGA    L   113_A      L   113_A    25.247     0    0.117   0.168    29.126    0.000    0.000
LGA    G   114_A      G   114_A    32.193     0    0.036   0.036    33.133    0.000    0.000
LGA    S   115_A      S   115_A    36.902     0    0.128   0.175    39.862    0.000    0.000
LGA    G   116_A      G   116_A    40.240     0    0.052   0.052    42.631    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):    14.386         14.337                 14.557           36.468   33.785

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  114    4.0     57    2.22    42.325    41.220     2.459

LGA_LOCAL      RMSD:   2.218  Number of atoms:   57  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  17.713  Number of assigned atoms:  114 
Std_ASGN_ATOMS RMSD:  14.386  Standard rmsd on all 114 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.100496 * X  +  -0.736590 * Y  +   0.668831 * Z  +  14.584492
  Y_new =   0.253994 * X  +   0.668954 * Y  +   0.698561 * Z  +  -7.854849
  Z_new =  -0.961971 * X  +   0.099677 * Y  +   0.254317 * Z  +  16.817884 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.194034  1.294127  0.373537   [DEG:   68.4131   74.1480   21.4021 ]
ZXZ:  2.377933  1.313655 -1.467548   [DEG:  136.2455   75.2669  -84.0843 ]
 
# END of job
