
#######################################################
#                                                     #
#                        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  132 ( 1072),  selected  123 , name one
# Molecule2: number of CA atoms  123 (  980),  selected  123 , 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:   123      10_A - 132_A       4.11     4.11
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      15_A - 132_A       1.99     4.29
  LCS_AVERAGE:     92.33

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77      52_A - 128_A       1.00     4.46
  LONGEST_CONTINUOUS_SEGMENT:    77      53_A - 129_A       0.98     4.45
  LCS_AVERAGE:     49.33

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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     H    10_A     H    10_A      3    9  123      3    3    4    6    8    9   10   11   14   16   18   18   20   21   26   38   43   45   54   57 
LCS_GDT     S    11_A     S    11_A      3    9  123      3    3    4    6    8    9   10   11   14   17   23   25   30   39   42   46   56   58   68   72 
LCS_GDT     S    12_A     S    12_A      3    9  123      3    3    4    5    8    9   10   13   15   23   27   36   42   47   56   73   81   95  106  114 
LCS_GDT     G    13_A     G    13_A      5    9  123      3    4    5    6    7    9   10   15   19   25   37   39   49   69   77   92  101  116  117  119 
LCS_GDT     L    14_A     L    14_A      5    9  123      3    4    5    9   18   24   35   57   85  108  114  116  118  118  119  119  119  119  119  119 
LCS_GDT     V    15_A     V    15_A      5  118  123      3    4    5   14   29   54   80  102  113  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     P    16_A     P    16_A      5  118  123      3    4    5    9   24   50   65   78  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     R    17_A     R    17_A      5  118  123      3    4    7   13   25   41   52   78   89  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     G    18_A     G    18_A      5  118  123      3    4    5   12   17   24   41   55   61   75  103  111  117  118  119  119  119  119  119  119 
LCS_GDT     S    19_A     S    19_A      5  118  123      3    4    7   15   30   41   65   78  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     H    20_A     H    20_A     24  118  123      3    6   20   78   91  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     M    21_A     M    21_A     30  118  123      6   57   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     Q    22_A     Q    22_A     36  118  123     38   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     E    23_A     E    23_A     36  118  123     42   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     E    24_A     E    24_A     36  118  123     14   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     E    25_A     E    25_A     36  118  123     40   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     F    26_A     F    26_A     36  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     H    27_A     H    27_A     36  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     K    28_A     K    28_A     36  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     L    29_A     L    29_A     36  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     A    30_A     A    30_A     36  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     N    31_A     N    31_A     36  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     F    32_A     F    32_A     36  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     T    33_A     T    33_A     36  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     I    34_A     I    34_A     36  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     N    35_A     N    35_A     36  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     H    36_A     H    36_A     36  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     L    37_A     L    37_A     36  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     L    38_A     L    38_A     36  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     E    39_A     E    39_A     36  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     K    40_A     K    40_A     36  118  123     17   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     I    41_A     I    41_A     36  118  123      8   83   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     E    42_A     E    42_A     36  118  123     24   84   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     D    43_A     D    43_A     36  118  123     27   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     Y    44_A     Y    44_A     36  118  123      8   66   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     G    45_A     G    45_A     36  118  123      6   27   95  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     D    46_A     D    46_A     36  118  123     24   84   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     N    47_A     N    47_A     36  118  123      9   72   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     V    48_A     V    48_A     51  118  123     40   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     Q    49_A     Q    49_A     51  118  123      3    3    4   34  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     I    50_A     I    50_A     51  118  123      3   70   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     D    51_A     D    51_A     51  118  123      3    5   13   86  106  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     G    52_A     G    52_A     77  118  123      6   29   94  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     F    53_A     F    53_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     D    54_A     D    54_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     I    55_A     I    55_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     D    56_A     D    56_A     77  118  123     36   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     Y    57_A     Y    57_A     77  118  123     32   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     G    58_A     G    58_A     77  118  123     13   41   93  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     N    59_A     N    59_A     77  118  123      7   19   67  102  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     E    60_A     E    60_A     77  118  123      7   39   88  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     V    61_A     V    61_A     77  118  123     29   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     L    62_A     L    62_A     77  118  123     38   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     T    63_A     T    63_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     L    64_A     L    64_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     K    65_A     K    65_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     L    66_A     L    66_A     77  118  123     35   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     G    67_A     G    67_A     77  118  123     10   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     S    68_A     S    68_A     77  118  123     13   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     L    69_A     L    69_A     77  118  123     15   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     G    70_A     G    70_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     T    71_A     T    71_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     Y    72_A     Y    72_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     V    73_A     V    73_A     77  118  123     36   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     L    74_A     L    74_A     77  118  123     20   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     N    75_A     N    75_A     77  118  123     19   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     K    76_A     K    76_A     77  118  123     30   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     Q    77_A     Q    77_A     77  118  123     11   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     T    78_A     T    78_A     77  118  123     36   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     P    79_A     P    79_A     77  118  123     29   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     N    80_A     N    80_A     77  118  123     19   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     R    81_A     R    81_A     77  118  123     46   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     Q    82_A     Q    82_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     I    83_A     I    83_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     W    84_A     W    84_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     M    85_A     M    85_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     S    86_A     S    86_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     S    87_A     S    87_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     P    88_A     P    88_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     V    89_A     V    89_A     77  118  123     39   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     S    90_A     S    90_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     G    91_A     G    91_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     P    92_A     P    92_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     S    93_A     S    93_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     R    94_A     R    94_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     F    95_A     F    95_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     D    96_A     D    96_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     W    97_A     W    97_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     D    98_A     D    98_A     77  118  123     36   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     R    99_A     R    99_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     D   100_A     D   100_A     77  118  123      3    9   78   99  107  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     A   101_A     A   101_A     77  118  123      3    6   58   76  105  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     N   102_A     N   102_A     77  118  123      9   71   97  104  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     A   103_A     A   103_A     77  118  123     20   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     W   104_A     W   104_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     I   105_A     I   105_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     Y   106_A     Y   106_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     R   107_A     R   107_A     77  118  123     35   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     R   108_A     R   108_A     77  118  123      9   71   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     T   109_A     T   109_A     77  118  123     30   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     E   110_A     E   110_A     77  118  123     36   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     A   111_A     A   111_A     77  118  123     44   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     K   112_A     K   112_A     77  118  123     46   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     L   113_A     L   113_A     77  118  123     39   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     H   114_A     H   114_A     77  118  123     39   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     K   115_A     K   115_A     77  118  123     17   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     L   116_A     L   116_A     77  118  123     39   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     L   117_A     L   117_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     E   118_A     E   118_A     77  118  123     39   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     E   119_A     E   119_A     77  118  123     39   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     E   120_A     E   120_A     77  118  123     46   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     L   121_A     L   121_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     E   122_A     E   122_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     N   123_A     N   123_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     L   124_A     L   124_A     77  118  123     47   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     C   125_A     C   125_A     77  118  123     35   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     G   126_A     G   126_A     77  118  123     42   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     E   127_A     E   127_A     77  118  123     32   85   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     P   128_A     P   128_A     77  118  123      4   51   96  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     I   129_A     I   129_A     77  118  123     17   51   94  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     Q   130_A     Q   130_A     73  118  123      3   23   73  102  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     L   131_A     L   131_A     73  118  123     13   70   96  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_GDT     S   132_A     S   132_A     73  118  123     17   75   97  105  108  111  112  113  115  116  117  117  118  118  119  119  119  119  119  119 
LCS_AVERAGE  LCS_A:  80.55  (  49.33   92.33  100.00 )

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     47     85     97    105    108    111    112    113    115    116    117    117    118    118    119    119    119    119    119    119 
GDT PERCENT_AT  38.21  69.11  78.86  85.37  87.80  90.24  91.06  91.87  93.50  94.31  95.12  95.12  95.93  95.93  96.75  96.75  96.75  96.75  96.75  96.75
GDT RMS_LOCAL    0.34   0.58   0.72   0.90   0.97   1.08   1.13   1.23   1.53   1.66   1.82   1.82   2.02   1.99   2.17   2.17   2.17   2.17   2.17   2.17
GDT RMS_ALL_AT   4.59   4.54   4.50   4.48   4.47   4.47   4.45   4.42   4.36   4.34   4.30   4.30   4.26   4.29   4.26   4.26   4.26   4.26   4.26   4.26

# Checking swapping
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  F    32_A      F    32_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  D    56_A      D    56_A
#   possible swapping detected:  F    95_A      F    95_A
#   possible swapping detected:  E   110_A      E   110_A
#   possible swapping detected:  E   118_A      E   118_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   122_A      E   122_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    10_A      H    10_A    24.939     0    0.605   0.424    26.845    0.000    0.000
LGA    S    11_A      S    11_A    23.054     0    0.694   0.851    23.274    0.000    0.000
LGA    S    12_A      S    12_A    18.768     0    0.057   0.732    20.714    0.000    0.000
LGA    G    13_A      G    13_A    16.769     0    0.405   0.405    16.978    0.000    0.000
LGA    L    14_A      L    14_A    10.528     3    0.164   0.178    12.923    0.000    0.179
LGA    V    15_A      V    15_A     8.884     0    0.029   1.112    11.934   10.476    7.211
LGA    P    16_A      P    16_A     7.507     0    0.144   0.413     9.806    8.571    5.374
LGA    R    17_A      R    17_A     7.602     6    0.136   0.184     8.238    6.667    3.333
LGA    G    18_A      G    18_A     9.768     0    0.071   0.071     9.768    2.381    2.381
LGA    S    19_A      S    19_A     6.843     0    0.255   0.748     8.244   22.500   17.460
LGA    H    20_A      H    20_A     5.164     5    0.058   0.071     6.888   29.048   12.952
LGA    M    21_A      M    21_A     1.914     0    0.105   0.500     2.609   71.071   77.440
LGA    Q    22_A      Q    22_A     0.404     0    0.126   0.986     2.603   92.857   82.011
LGA    E    23_A      E    23_A     0.880     0    0.061   0.173     1.503   88.214   84.497
LGA    E    24_A      E    24_A     1.297     4    0.030   0.039     1.443   81.429   45.238
LGA    E    25_A      E    25_A     0.919     0    0.028   0.700     2.563   90.476   78.201
LGA    F    26_A      F    26_A     0.408     0    0.056   0.138     0.554   97.619   99.134
LGA    H    27_A      H    27_A     0.999     0    0.064   0.151     1.130   85.952   86.857
LGA    K    28_A      K    28_A     1.094     0    0.034   0.693     1.424   85.952   84.444
LGA    L    29_A      L    29_A     0.688     0    0.030   0.221     1.835   95.238   89.524
LGA    A    30_A      A    30_A     0.366     0    0.029   0.036     0.466  100.000  100.000
LGA    N    31_A      N    31_A     0.565     0    0.030   0.988     3.314   92.857   79.345
LGA    F    32_A      F    32_A     0.486     0    0.036   0.399     1.797  100.000   87.489
LGA    T    33_A      T    33_A     0.284     0    0.022   0.991     2.302  100.000   89.932
LGA    I    34_A      I    34_A     0.186     0    0.024   1.228     2.777  100.000   84.881
LGA    N    35_A      N    35_A     0.237     0    0.031   1.007     2.073  100.000   91.190
LGA    H    36_A      H    36_A     0.277     0    0.035   0.257     0.971  100.000   96.190
LGA    L    37_A      L    37_A     0.384     0    0.033   0.129     0.527  100.000   97.619
LGA    L    38_A      L    38_A     0.429     0    0.028   0.134     0.464  100.000  100.000
LGA    E    39_A      E    39_A     0.454     0    0.037   1.001     3.463   95.238   81.587
LGA    K    40_A      K    40_A     0.913     0    0.061   0.799     2.480   88.214   80.688
LGA    I    41_A      I    41_A     1.219     0    0.086   1.069     3.782   83.690   68.036
LGA    E    42_A      E    42_A     1.081     0    0.024   0.404     2.141   83.690   79.683
LGA    D    43_A      D    43_A     0.992     0    0.038   0.073     1.318   85.952   84.821
LGA    Y    44_A      Y    44_A     1.665     0    0.033   0.180     2.827   75.000   66.944
LGA    G    45_A      G    45_A     2.091     0    0.119   0.119     2.091   72.976   72.976
LGA    D    46_A      D    46_A     1.110     0    0.435   1.292     2.508   79.405   75.298
LGA    N    47_A      N    47_A     1.632     0    0.654   0.728     4.236   65.476   58.810
LGA    V    48_A      V    48_A     0.544     0    0.262   0.429     3.522   74.286   70.408
LGA    Q    49_A      Q    49_A     2.690     0    0.314   1.606     5.560   71.190   50.688
LGA    I    50_A      I    50_A     1.395     0    0.127   1.512     6.135   83.690   63.869
LGA    D    51_A      D    51_A     3.326     0    0.186   0.168     5.703   55.357   41.488
LGA    G    52_A      G    52_A     2.021     0    0.161   0.161     2.586   71.190   71.190
LGA    F    53_A      F    53_A     0.348     0    0.064   0.162     1.401   95.238   90.606
LGA    D    54_A      D    54_A     0.237     0    0.096   0.324     1.340  100.000   95.298
LGA    I    55_A      I    55_A     0.431     0    0.050   0.629     2.051   97.619   89.702
LGA    D    56_A      D    56_A     0.690     0    0.094   0.452     2.412   95.238   86.250
LGA    Y    57_A      Y    57_A     0.956     0    0.043   0.166     3.336   88.333   72.857
LGA    G    58_A      G    58_A     1.993     0    0.059   0.059     2.223   68.810   68.810
LGA    N    59_A      N    59_A     2.771     0    0.033   0.799     4.991   59.048   54.940
LGA    E    60_A      E    60_A     2.286     0    0.040   0.309     2.708   68.810   66.614
LGA    V    61_A      V    61_A     1.018     0    0.040   1.218     2.893   85.952   78.163
LGA    L    62_A      L    62_A     0.561     0    0.027   0.084     0.785   92.857   92.857
LGA    T    63_A      T    63_A     0.340     0    0.045   0.165     0.868  100.000   98.639
LGA    L    64_A      L    64_A     0.122     0    0.057   1.051     2.540  100.000   90.238
LGA    K    65_A      K    65_A     0.242     0    0.056   0.748     2.973  100.000   82.646
LGA    L    66_A      L    66_A     0.767     0    0.391   0.321     2.277   81.786   85.060
LGA    G    67_A      G    67_A     0.972     0    0.092   0.092     1.246   83.690   83.690
LGA    S    68_A      S    68_A     1.103     0    0.122   0.654     3.921   81.429   75.079
LGA    L    69_A      L    69_A     1.091     0    0.099   0.172     1.391   85.952   83.690
LGA    G    70_A      G    70_A     0.662     0    0.052   0.052     0.880   90.476   90.476
LGA    T    71_A      T    71_A     0.581     0    0.078   0.934     2.441   92.857   85.646
LGA    Y    72_A      Y    72_A     0.496     0    0.043   0.093     0.872   95.238   93.651
LGA    V    73_A      V    73_A     0.607     0    0.037   0.059     0.847   92.857   91.837
LGA    L    74_A      L    74_A     0.976     0    0.060   0.171     1.423   85.952   84.821
LGA    N    75_A      N    75_A     0.906     0    0.024   1.117     2.818   90.476   84.107
LGA    K    76_A      K    76_A     0.794     0    0.081   0.375     1.089   88.214   89.471
LGA    Q    77_A      Q    77_A     0.814     0    0.041   1.130     2.387   90.476   83.757
LGA    T    78_A      T    78_A     0.615     0    0.027   0.057     0.670   90.476   91.837
LGA    P    79_A      P    79_A     0.864     0    0.042   0.103     1.023   90.476   89.184
LGA    N    80_A      N    80_A     0.877     0    0.096   0.198     1.270   90.476   87.083
LGA    R    81_A      R    81_A     0.580     0    0.039   1.046     2.677   95.238   85.931
LGA    Q    82_A      Q    82_A     0.333     0    0.069   0.112     0.765  100.000   96.825
LGA    I    83_A      I    83_A     0.331     0    0.045   0.082     0.444  100.000  100.000
LGA    W    84_A      W    84_A     0.402     0    0.050   0.066     0.631   97.619   95.918
LGA    M    85_A      M    85_A     0.517     0    0.042   0.901     2.090   97.619   88.571
LGA    S    86_A      S    86_A     0.421     0    0.042   0.067     0.664   95.238   93.651
LGA    S    87_A      S    87_A     0.408     0    0.037   0.062     0.597  100.000   96.825
LGA    P    88_A      P    88_A     0.230     0    0.096   0.164     0.807   97.619   98.639
LGA    V    89_A      V    89_A     0.832     0    0.043   1.153     2.815   88.214   80.612
LGA    S    90_A      S    90_A     0.499     0    0.133   0.131     1.041   90.595   92.143
LGA    G    91_A      G    91_A     0.387     0    0.116   0.116     0.587   97.619   97.619
LGA    P    92_A      P    92_A     0.452     0    0.021   0.229     1.441   97.619   91.973
LGA    S    93_A      S    93_A     0.407     0    0.034   0.666     2.645  100.000   92.857
LGA    R    94_A      R    94_A     0.628     0    0.025   1.416     3.710   90.476   79.177
LGA    F    95_A      F    95_A     0.591     0    0.025   0.073     0.649   90.476   94.805
LGA    D    96_A      D    96_A     0.821     0    0.030   0.156     0.989   90.476   90.476
LGA    W    97_A      W    97_A     0.965     0    0.031   0.169     2.621   90.476   77.585
LGA    D    98_A      D    98_A     0.738     0    0.095   0.491     1.633   83.810   83.810
LGA    R    99_A      R    99_A     0.857     0    0.636   1.253     9.124   84.048   54.502
LGA    D   100_A      D   100_A     2.967     0    0.482   0.459     4.913   47.262   53.155
LGA    A   101_A      A   101_A     3.612     0    0.696   0.625     4.313   53.810   50.476
LGA    N   102_A      N   102_A     1.759     0    0.418   0.372     4.885   77.381   58.095
LGA    A   103_A      A   103_A     0.966     0    0.022   0.041     1.333   85.952   86.857
LGA    W   104_A      W   104_A     0.622     0    0.048   0.151     0.772   90.476   92.517
LGA    I   105_A      I   105_A     0.381     0    0.068   1.104     2.544  100.000   84.881
LGA    Y   106_A      Y   106_A     0.236     0    0.086   0.442     2.425   97.619   86.548
LGA    R   107_A      R   107_A     0.622     0    0.096   1.764     9.067   90.595   55.931
LGA    R   108_A      R   108_A     1.386     0    0.120   0.791     4.810   79.524   60.563
LGA    T   109_A      T   109_A     0.686     0    0.112   1.075     2.929   88.214   81.905
LGA    E   110_A      E   110_A     0.671     0    0.032   0.648     2.496   90.476   79.947
LGA    A   111_A      A   111_A     0.498     0    0.061   0.065     0.689   97.619   96.190
LGA    K   112_A      K   112_A     0.728     0    0.068   0.567     2.652   92.857   87.831
LGA    L   113_A      L   113_A     0.890     0    0.037   0.118     1.542   90.476   84.881
LGA    H   114_A      H   114_A     0.844     0    0.030   1.453     5.678   90.476   65.333
LGA    K   115_A      K   115_A     1.263     0    0.065   0.672     3.703   83.690   64.550
LGA    L   116_A      L   116_A     0.970     0    0.039   0.946     3.099   88.214   77.857
LGA    L   117_A      L   117_A     0.396     0    0.048   0.212     0.617   92.857   95.238
LGA    E   118_A      E   118_A     0.704     0    0.040   0.913     4.044   90.476   71.058
LGA    E   119_A      E   119_A     0.665     0    0.040   1.227     3.546   92.857   75.238
LGA    E   120_A      E   120_A     0.429     0    0.035   0.120     0.648   97.619   96.825
LGA    L   121_A      L   121_A     0.284     0    0.049   0.093     0.656  100.000   96.429
LGA    E   122_A      E   122_A     0.485     0    0.051   0.652     2.656   97.619   87.937
LGA    N   123_A      N   123_A     0.450     0    0.062   1.200     4.617   92.976   77.917
LGA    L   124_A      L   124_A     0.371     0    0.038   0.196     0.683   95.238   97.619
LGA    C   125_A      C   125_A     0.799     0    0.109   0.747     4.327   95.238   83.254
LGA    G   126_A      G   126_A     0.389     0    0.157   0.157     0.990   95.238   95.238
LGA    E   127_A      E   127_A     0.964     0    0.069   1.050     3.712   83.810   79.312
LGA    P   128_A      P   128_A     1.651     0    0.125   0.379     2.699   75.000   71.837
LGA    I   129_A      I   129_A     1.840     0    0.042   0.131     2.101   68.810   70.833
LGA    Q   130_A      Q   130_A     2.486     0    0.093   1.069     6.263   64.762   53.280
LGA    L   131_A      L   131_A     1.647     0    0.073   0.903     3.632   77.143   70.298
LGA    S   132_A      S   132_A     1.409     0    0.243   0.666     2.911   77.143   74.524

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     980    980  100.00               123
SUMMARY(RMSD_GDC):     4.107          4.051                  4.117           80.959   74.737

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    113    1.23    85.772    89.329     8.511

LGA_LOCAL      RMSD:   1.228  Number of atoms:  113  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.420  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   4.107  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.391675 * X  +   0.805616 * Y  +   0.444492 * Z  +  -9.443984
  Y_new =   0.075637 * X  +   0.509645 * Y  +  -0.857054 * Z  + -22.508575
  Z_new =  -0.916990 * X  +  -0.302066 * Y  +  -0.260550 * Z  +   7.462412 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.950828  1.160467 -2.282537   [DEG:  169.0700   66.4899 -130.7797 ]
ZXZ:  0.478439  1.834388 -1.889012   [DEG:   27.4125  105.1027 -108.2324 ]
 
# END of job
