
#######################################################
#                                                     #
#                        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  124 ( 1009),  selected  122 , name one
# Molecule2: number of CA atoms  126 ( 1024),  selected  122 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   122       7_B - 130_B       3.16     3.16
  LCS_AVERAGE:     96.83

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48      10_B - 57_B        1.99     4.32
  LCS_AVERAGE:     32.46

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      13_B - 43_B        0.95     4.00
  LONGEST_CONTINUOUS_SEGMENT:    31      14_B - 44_B        0.97     3.93
  LCS_AVERAGE:     15.35

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  122
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     E     7_B     E     7_B     23   47  122      4   18   25   41   62   72   83   97  103  107  114  119  122  122  122  122  122  122  122  122 
LCS_GDT     E     8_B     E     8_B     23   47  122      5   18   25   36   50   68   80   97  101  107  114  119  122  122  122  122  122  122  122  122 
LCS_GDT     A     9_B     A     9_B     24   47  122      5   18   25   41   55   72   88   99  105  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     K    10_B     K    10_B     27   48  122      8   21   41   61   76   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     E    11_B     E    11_B     27   48  122      8   21   41   57   73   85   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     A    12_B     A    12_B     28   48  122     10   21   41   61   76   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     I    13_B     I    13_B     31   48  122     10   23   46   63   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     I    14_B     I    14_B     31   48  122     10   28   49   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     A    15_B     A    15_B     31   48  122     10   36   50   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     M    16_B     M    16_B     31   48  122     11   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     L    17_B     L    17_B     31   48  122     10   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     K    18_B     K    18_B     31   48  122     10   31   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     E    19_B     E    19_B     31   48  122     14   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     W    20_B     W    20_B     31   48  122     10   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     Y    21_B     Y    21_B     31   48  122      9   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     D    22_B     D    22_B     31   48  122     10   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     A    23_B     A    23_B     31   48  122     10   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     M    24_B     M    24_B     31   48  122     10   28   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     N    25_B     N    25_B     31   48  122     10   28   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     E    26_B     E    26_B     31   48  122     10   35   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     G    27_B     G    27_B     31   48  122     10   36   53   66   76   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     D    28_B     D    28_B     31   48  122     10   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     M    29_B     M    29_B     31   48  122     10   36   53   66   76   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     E    30_B     E    30_B     31   48  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     K    31_B     K    31_B     31   48  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     L    32_B     L    32_B     31   48  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     R    33_B     R    33_B     31   48  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     S    34_B     S    34_B     31   48  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     L    35_B     L    35_B     31   48  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     V    36_B     V    36_B     31   48  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     D    37_B     D    37_B     31   48  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     P    38_B     P    38_B     31   48  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     D    39_B     D    39_B     31   48  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     A    40_B     A    40_B     31   48  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     S    41_B     S    41_B     31   48  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     F    42_B     F    42_B     31   48  122      7   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     V    43_B     V    43_B     31   48  122      8   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     D    44_B     D    44_B     31   48  122     12   29   49   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     A    45_B     A    45_B      4   48  122      6   13   19   24   46   59   78   90  102  109  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     R    46_B     R    46_B      4   48  122      4    5    6   10   27   33   43   70   83   89  106  117  122  122  122  122  122  122  122  122 
LCS_GDT     T    47_B     T    47_B      4   48  122      4    5    7   30   46   78   94  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     N    48_B     N    48_B      5   48  122      3   19   41   63   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     Q    49_B     Q    49_B      5   48  122      4   22   42   62   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     V    50_B     V    50_B      5   48  122      4    5   38   63   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     Y    51_B     Y    51_B      5   48  122      9   22   41   57   70   85   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     D    52_B     D    52_B      7   48  122      4    5   42   63   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     K    53_B     K    53_B     11   48  122      5   13   37   63   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     D    54_B     D    54_B     11   48  122      5   11   16   64   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     Q    55_B     Q    55_B     11   48  122      8   36   50   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     F    56_B     F    56_B     11   48  122      6   11   37   61   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     L    57_B     L    57_B     11   48  122      6   11   14   37   68   83   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     Q    58_B     Q    58_B     11   15  122      6   11   11   36   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     M    59_B     M    59_B     11   15  122      6   11   32   59   73   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     I    60_B     I    60_B     11   15  122      6   11   11   35   63   81   89  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     K    61_B     K    61_B     11   15  122      6   11   16   38   68   80   89  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     E    62_B     E    62_B     11   15  122      4   11   16   52   68   83   93  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     A    63_B     A    63_B     11   15  122      4   11   16   39   68   83   89  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     L    64_B     L    64_B      5   15  122      0    4   29   59   74   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     E    65_B     E    65_B      3   18  122      0    6   41   54   71   81   92   99  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     Q    66_B     Q    66_B      3   18  122      3    3    4   16   26   46   66   80   90  104  111  117  122  122  122  122  122  122  122  122 
LCS_GDT     D    67_B     D    67_B      7   18  122      3   11   34   52   61   76   87   96  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     L    68_B     L    68_B      7   18  122      5    9   24   40   59   66   80   89  101  110  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     K    69_B     K    69_B     10   18  122      5   13   36   52   61   76   84   95  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     V    70_B     V    70_B     10   18  122      6   21   41   55   71   83   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     E    71_B     E    71_B     10   18  122      6   23   41   57   73   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     V    72_B     V    72_B     10   18  122      6   23   43   59   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     K    73_B     K    73_B     10   18  122      5   17   43   57   73   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     S    74_B     S    74_B     10   18  122      5   16   41   54   69   81   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     I    75_B     I    75_B     10   18  122      6   23   43   59   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     D    76_B     D    76_B     10   18  122      6   33   49   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     I    77_B     I    77_B     10   18  122     12   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     E    78_B     E    78_B     10   18  122      3   16   29   62   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     Q    79_B     Q    79_B      6   18  122      3    5    9   13   25   66   87   99  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     Q    80_B     Q    80_B      6   18  122      3    8   15   32   42   65   87   99  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     P    81_B     P    81_B      4   18  122      3    7   12   18   37   55   77   89   99  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     D    82_B     D    82_B      4   18  122      3    4    4    5   20   56   74   89   99  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     G    83_B     G    83_B      4   46  122      3    4   28   58   73   85   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     D    84_B     D    84_B     14   46  122      3    9   21   46   67   85   95   99  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     V    85_B     V    85_B     14   46  122      4   16   39   64   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     V    86_B     V    86_B     14   46  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     I    87_B     I    87_B     14   46  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     V    88_B     V    88_B     14   46  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     K    89_B     K    89_B     14   46  122     14   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     V    90_B     V    90_B     14   46  122      5   17   41   57   76   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     K    91_B     K    91_B     15   46  122      9   33   49   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     V    92_B     V    92_B     15   46  122     12   36   49   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     R    93_B     R    93_B     15   46  122     12   36   49   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     A    94_B     A    94_B     15   46  122     12   33   49   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     T    95_B     T    95_B     15   46  122      7   23   42   58   73   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     M    96_B     M    96_B     15   46  122      6   19   41   54   71   83   93   99  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     V    97_B     V    97_B     15   46  122      6   15   41   54   68   78   89   98  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     R    98_B     R    98_B     15   46  122      6   10   18   32   56   64   80   90  101  108  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     Q   101_B     Q   101_B     15   46  122      6   13   28   46   59   67   80   88  101  108  115  118  122  122  122  122  122  122  122  122 
LCS_GDT     E   102_B     E   102_B     15   46  122      5   13   28   46   59   67   81   92  101  110  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     H   103_B     H   103_B     15   46  122      6   11   25   46   59   69   83   95  102  110  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     V   104_B     V   104_B     15   46  122      5   16   41   54   71   83   93   99  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     F   105_B     F   105_B     25   46  122      4   19   41   57   73   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     E   106_B     E   106_B     25   46  122      3   30   51   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     V   107_B     V   107_B     25   46  122      9   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     V   108_B     V   108_B     25   46  122      9   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     D   109_B     D   109_B     25   46  122      9   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     T   110_B     T   110_B     25   46  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     Y   111_B     Y   111_B     25   46  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     E   112_B     E   112_B     25   46  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     F   113_B     F   113_B     25   46  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     R   114_B     R   114_B     25   46  122     12   30   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     R   115_B     R   115_B     25   46  122     12   27   52   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     K   116_B     K   116_B     25   46  122      3   29   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     G   117_B     G   117_B     25   46  122      7   35   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     D   118_B     D   118_B     25   46  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     S   119_B     S   119_B     25   46  122      3   28   51   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     W   120_B     W   120_B     25   46  122      8   30   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     K   121_B     K   121_B     25   46  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     I   122_B     I   122_B     25   46  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     V   123_B     V   123_B     25   46  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     K   124_B     K   124_B     25   46  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     L   125_B     L   125_B     25   46  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     V   126_B     V   126_B     25   46  122     17   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     S   127_B     S   127_B     25   46  122     15   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     E   128_B     E   128_B     25   46  122      9   36   53   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     I   129_B     I   129_B     25   46  122      3    9   45   66   77   86   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_GDT     T   130_B     T   130_B      3   46  122      3    9   24   58   74   85   95  100  106  111  115  119  122  122  122  122  122  122  122  122 
LCS_AVERAGE  LCS_A:  48.21  (  15.35   32.46   96.83 )

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     17     36     53     66     77     86     95    100    106    111    115    119    122    122    122    122    122    122    122    122 
GDT PERCENT_AT  13.49  28.57  42.06  52.38  61.11  68.25  75.40  79.37  84.13  88.10  91.27  94.44  96.83  96.83  96.83  96.83  96.83  96.83  96.83  96.83
GDT RMS_LOCAL    0.31   0.68   0.93   1.20   1.51   1.70   1.95   2.12   2.39   2.58   2.81   2.98   3.16   3.16   3.16   3.16   3.16   3.16   3.16   3.16
GDT RMS_ALL_AT   3.57   3.35   3.74   3.55   3.41   3.38   3.35   3.34   3.21   3.22   3.18   3.17   3.16   3.16   3.16   3.16   3.16   3.16   3.16   3.16

# Checking swapping
#   possible swapping detected:  F    42_B      F    42_B
#   possible swapping detected:  D    44_B      D    44_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  D    67_B      D    67_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  F   105_B      F   105_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  F   113_B      F   113_B
#   possible swapping detected:  D   118_B      D   118_B
#   possible swapping detected:  E   128_B      E   128_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     5.127     0    0.476   0.590     5.347   27.500   29.101
LGA    E     8_B      E     8_B     5.732     0    0.033   0.939    10.106   25.119   14.497
LGA    A     9_B      A     9_B     4.486     0    0.050   0.054     4.945   40.476   38.667
LGA    K    10_B      K    10_B     2.906     0    0.074   0.240     3.510   55.595   54.868
LGA    E    11_B      E    11_B     3.406     0    0.039   0.756     7.745   51.786   34.656
LGA    A    12_B      A    12_B     2.831     0    0.092   0.094     3.196   61.190   58.952
LGA    I    13_B      I    13_B     1.952     0    0.019   0.434     2.834   72.976   68.929
LGA    I    14_B      I    14_B     1.507     0    0.028   0.250     2.985   77.143   73.036
LGA    A    15_B      A    15_B     1.142     0    0.081   0.102     1.375   85.952   85.048
LGA    M    16_B      M    16_B     0.801     0    0.033   1.124     2.370   90.476   82.917
LGA    L    17_B      L    17_B     0.762     0    0.034   1.395     3.074   88.214   77.917
LGA    K    18_B      K    18_B     1.227     0    0.065   1.244     5.975   81.429   60.370
LGA    E    19_B      E    19_B     0.629     0    0.061   0.931     4.356   88.214   75.344
LGA    W    20_B      W    20_B     1.170     0    0.060   1.672     5.196   81.548   65.442
LGA    Y    21_B      Y    21_B     1.570     0    0.045   1.040     6.454   72.976   58.810
LGA    D    22_B      D    22_B     1.950     0    0.000   0.097     2.535   70.833   67.857
LGA    A    23_B      A    23_B     1.961     0    0.030   0.040     2.382   68.810   69.619
LGA    M    24_B      M    24_B     2.335     0    0.058   0.253     2.783   62.857   62.857
LGA    N    25_B      N    25_B     2.382     0    0.076   0.209     2.794   60.952   61.905
LGA    E    26_B      E    26_B     2.483     0    0.010   0.132     2.643   60.952   65.767
LGA    G    27_B      G    27_B     2.645     0    0.056   0.056     2.751   57.143   57.143
LGA    D    28_B      D    28_B     2.135     0    0.023   0.204     2.253   64.762   68.810
LGA    M    29_B      M    29_B     2.262     0    0.083   0.585     5.130   66.786   53.333
LGA    E    30_B      E    30_B     1.914     0    0.068   1.285     5.013   70.833   55.661
LGA    K    31_B      K    31_B     1.727     0    0.058   0.855     2.632   72.857   71.164
LGA    L    32_B      L    32_B     1.440     0    0.072   0.229     1.603   79.286   79.286
LGA    R    33_B      R    33_B     1.464     0    0.131   1.387     5.381   77.143   64.286
LGA    S    34_B      S    34_B     1.244     0    0.119   0.171     1.476   81.429   81.429
LGA    L    35_B      L    35_B     0.744     0    0.051   0.065     1.041   90.476   89.345
LGA    V    36_B      V    36_B     0.451     0    0.042   0.051     0.641   97.619   94.558
LGA    D    37_B      D    37_B     0.730     0    0.022   0.246     1.444   90.476   89.345
LGA    P    38_B      P    38_B     0.888     0    0.034   0.067     0.910   90.476   90.476
LGA    D    39_B      D    39_B     0.885     0    0.071   0.698     2.534   90.476   84.048
LGA    A    40_B      A    40_B     0.600     0    0.116   0.146     0.898   90.476   90.476
LGA    S    41_B      S    41_B     0.775     0    0.100   0.145     0.925   90.476   90.476
LGA    F    42_B      F    42_B     1.445     0    0.154   0.217     2.183   75.119   78.355
LGA    V    43_B      V    43_B     1.350     0    0.108   0.128     2.534   85.952   76.939
LGA    D    44_B      D    44_B     1.442     0    0.234   1.260     5.873   69.286   57.024
LGA    A    45_B      A    45_B     5.980     0    0.274   0.279     7.993   19.762   17.810
LGA    R    46_B      R    46_B     7.510     0    0.067   1.692    16.931   11.190    4.372
LGA    T    47_B      T    47_B     4.249     0    0.682   1.399     6.597   40.476   34.014
LGA    N    48_B      N    48_B     1.869     0    0.123   1.054     4.929   71.429   62.976
LGA    Q    49_B      Q    49_B     2.914     0    0.059   1.133    10.945   57.500   30.159
LGA    V    50_B      V    50_B     2.141     0    0.112   1.068     6.657   59.405   47.347
LGA    Y    51_B      Y    51_B     3.663     0    0.109   1.295    11.581   51.905   20.159
LGA    D    52_B      D    52_B     1.862     0    0.069   0.946     4.008   73.214   63.750
LGA    K    53_B      K    53_B     1.902     0    0.098   0.837     2.676   70.833   73.069
LGA    D    54_B      D    54_B     2.427     0    0.058   0.182     3.703   64.762   56.607
LGA    Q    55_B      Q    55_B     1.654     0    0.070   1.323     6.547   75.000   54.656
LGA    F    56_B      F    56_B     2.091     0    0.040   1.279     3.589   64.881   65.152
LGA    L    57_B      L    57_B     3.230     0    0.042   0.178     5.492   53.571   41.905
LGA    Q    58_B      Q    58_B     2.520     0    0.049   1.067     7.845   60.952   45.450
LGA    M    59_B      M    59_B     2.744     0    0.000   0.732     5.896   55.476   45.595
LGA    I    60_B      I    60_B     4.201     0    0.016   0.181     5.129   38.929   34.524
LGA    K    61_B      K    61_B     4.080     0    0.036   0.914     5.071   37.262   37.407
LGA    E    62_B      E    62_B     3.790     0    0.164   0.965     7.578   43.333   34.444
LGA    A    63_B      A    63_B     4.286     0    0.609   0.568     4.464   38.690   38.381
LGA    L    64_B      L    64_B     2.655     0    0.640   0.908     5.913   57.500   45.536
LGA    E    65_B      E    65_B     4.984     0    0.631   0.928    11.489   26.310   13.915
LGA    Q    66_B      Q    66_B     8.502     0    0.405   0.640    17.569    5.714    2.540
LGA    D    67_B      D    67_B     6.290     0    0.169   0.212     6.703   16.310   22.679
LGA    L    68_B      L    68_B     7.321     0    0.135   0.972     7.699   10.119   12.262
LGA    K    69_B      K    69_B     5.984     0    0.049   0.339    10.080   22.738   14.021
LGA    V    70_B      V    70_B     3.831     0    0.064   1.033     5.426   38.810   39.252
LGA    E    71_B      E    71_B     3.422     0    0.059   0.812     4.072   55.476   50.317
LGA    V    72_B      V    72_B     2.572     0    0.020   0.050     3.347   55.357   61.701
LGA    K    73_B      K    73_B     2.943     0    0.612   0.841     4.134   51.905   50.265
LGA    S    74_B      S    74_B     3.660     0    0.487   0.758     5.216   39.048   39.603
LGA    I    75_B      I    75_B     2.316     0    0.054   1.093     3.420   64.762   60.119
LGA    D    76_B      D    76_B     1.678     0    0.067   0.403     2.897   79.405   73.155
LGA    I    77_B      I    77_B     0.980     0    0.052   0.170     2.304   79.405   79.464
LGA    E    78_B      E    78_B     3.054     0    0.116   0.905     8.704   53.690   32.963
LGA    Q    79_B      Q    79_B     5.539     0    0.086   0.600    11.742   22.857   11.587
LGA    Q    80_B      Q    80_B     5.994     0    0.350   1.462     6.207   19.286   37.249
LGA    P    81_B      P    81_B     7.402     0    0.276   0.463     9.248   12.500    8.435
LGA    D    82_B      D    82_B     6.722     0    0.617   0.804     9.690   13.810    8.571
LGA    G    83_B      G    83_B     3.363     0    0.095   0.095     3.439   53.571   53.571
LGA    D    84_B      D    84_B     4.168     0    0.265   0.379     7.982   41.905   26.905
LGA    V    85_B      V    85_B     2.643     0    0.110   1.187     4.747   62.976   55.782
LGA    V    86_B      V    86_B     0.914     0    0.072   0.114     1.522   88.214   85.374
LGA    I    87_B      I    87_B     0.850     0    0.048   1.271     2.872   90.476   79.881
LGA    V    88_B      V    88_B     0.708     0    0.075   1.193     3.168   90.476   82.177
LGA    K    89_B      K    89_B     0.824     0    0.106   0.730     4.468   83.810   68.254
LGA    V    90_B      V    90_B     2.646     0    0.143   1.046     4.905   64.881   57.959
LGA    K    91_B      K    91_B     1.747     0    0.046   0.719     3.182   70.833   65.079
LGA    V    92_B      V    92_B     1.649     0    0.038   1.178     3.087   75.000   69.660
LGA    R    93_B      R    93_B     1.760     0    0.068   1.325     6.171   70.833   58.918
LGA    A    94_B      A    94_B     1.970     0    0.064   0.074     3.289   63.214   63.524
LGA    T    95_B      T    95_B     3.529     0    0.060   0.110     3.726   48.452   46.259
LGA    M    96_B      M    96_B     4.487     0    0.081   0.874     5.782   30.476   29.762
LGA    V    97_B      V    97_B     5.736     0    0.142   1.120     6.788   20.476   25.510
LGA    R    98_B      R    98_B     8.193     0    0.121   1.366    10.768    4.762    2.597
LGA    Q   101_B      Q   101_B     8.709     0    0.208   0.940    12.923    4.286    2.011
LGA    E   102_B      E   102_B     7.860     0    0.074   1.342     8.187    6.548   11.693
LGA    H   103_B      H   103_B     7.041     0    0.105   0.208     9.374   13.571    8.190
LGA    V   104_B      V   104_B     4.691     0    0.073   1.044     5.491   32.976   31.565
LGA    F   105_B      F   105_B     3.200     0    0.110   0.240     5.720   55.714   41.126
LGA    E   106_B      E   106_B     1.640     0    0.173   1.200     5.661   70.833   55.291
LGA    V   107_B      V   107_B     1.416     0    0.119   0.854     2.826   79.286   75.510
LGA    V   108_B      V   108_B     1.337     0    0.033   0.069     1.473   81.429   81.429
LGA    D   109_B      D   109_B     1.544     0    0.089   0.287     2.641   75.000   73.036
LGA    T   110_B      T   110_B     0.416     0    0.033   0.086     0.808   92.857   93.197
LGA    Y   111_B      Y   111_B     0.563     0    0.000   0.201     2.486   90.595   79.643
LGA    E   112_B      E   112_B     0.713     0    0.056   0.991     4.594   90.476   77.566
LGA    F   113_B      F   113_B     0.651     0    0.103   0.150     1.178   90.595   88.874
LGA    R   114_B      R   114_B     1.176     0    0.033   0.926     3.067   83.690   73.333
LGA    R   115_B      R   115_B     1.687     0    0.365   1.222     6.528   67.619   49.177
LGA    K   116_B      K   116_B     1.234     0    0.229   0.865     2.502   88.214   77.989
LGA    G   117_B      G   117_B     1.014     0    0.632   0.632     4.082   70.476   70.476
LGA    D   118_B      D   118_B     0.458     0    0.022   0.458     2.416   92.976   86.250
LGA    S   119_B      S   119_B     1.806     0    0.203   0.590     2.507   77.143   73.095
LGA    W   120_B      W   120_B     1.437     0    0.132   0.329     2.555   81.429   68.980
LGA    K   121_B      K   121_B     0.294     0    0.041   0.757     4.174   97.619   85.026
LGA    I   122_B      I   122_B     0.094     0    0.042   0.066     0.327  100.000  100.000
LGA    V   123_B      V   123_B     0.380     0    0.088   0.107     0.575  100.000   95.918
LGA    K   124_B      K   124_B     0.477     0    0.033   0.606     2.290  100.000   90.053
LGA    L   125_B      L   125_B     0.532     0    0.161   0.962     2.551   90.476   85.476
LGA    V   126_B      V   126_B     0.638     0    0.056   0.098     0.693   90.476   90.476
LGA    S   127_B      S   127_B     0.911     0    0.037   0.617     2.258   90.476   86.190
LGA    E   128_B      E   128_B     0.989     0    0.237   0.532     3.183   90.595   78.307
LGA    I   129_B      I   129_B     2.538     0    0.383   0.994     9.604   75.476   46.071
LGA    T   130_B      T   130_B     3.020     0    0.136   0.203     6.760   51.548   39.592

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      122     488    488  100.00     997    997  100.00               126
SUMMARY(RMSD_GDC):     3.163          3.148                  4.097           60.892   55.055

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  126    4.0    100    2.12    64.286    60.601     4.498

LGA_LOCAL      RMSD:   2.123  Number of atoms:  100  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.341  Number of assigned atoms:  122 
Std_ASGN_ATOMS RMSD:   3.163  Standard rmsd on all 122 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.543087 * X  +  -0.812129 * Y  +   0.213311 * Z  +  56.631340
  Y_new =  -0.147022 * X  +   0.158144 * Y  +   0.976409 * Z  + -169.345703
  Z_new =  -0.826705 * X  +  -0.561637 * Y  +  -0.033514 * Z  + 270.902313 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.264378  0.973225 -1.630398   [DEG:  -15.1477   55.7617  -93.4149 ]
ZXZ:  2.926507  1.604317 -2.167541   [DEG:  167.6765   91.9206 -124.1909 ]
 
# END of job
