
#######################################################
#                                                     #
#                        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:   119      14_A - 132_A       4.51     7.95
  LCS_AVERAGE:     94.05

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114      19_A - 132_A       1.59     8.46
  LCS_AVERAGE:     86.37

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    60      69_A - 128_A       0.99     8.57
  LCS_AVERAGE:     36.37

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    8   17      1    3    3    6    7   10   11   12   13   14   15   15   15   16   18   22   23   24   27   29 
LCS_GDT     S    11_A     S    11_A      3    8   17      0    3    4    4    7   10   11   12   13   15   16   23   23   24   26   28   32   34   34   35 
LCS_GDT     S    12_A     S    12_A      3    8   17      3    3    4    6    7   10   11   12   13   15   18   23   23   24   28   32   32   34   35   36 
LCS_GDT     G    13_A     G    13_A      5    8   17      3    4    5    5    7    9   11   12   13   15   18   23   24   30   31   32   33   35   35   36 
LCS_GDT     L    14_A     L    14_A      5    8  119      3    4    5    6    7   10   11   12   13   16   19   25   29   30   31   32   34   35   46   50 
LCS_GDT     V    15_A     V    15_A      5    8  119      1    4    5    6    7   10   13   15   20   24   27   29   30   31   42   48   53   57   64   73 
LCS_GDT     P    16_A     P    16_A      5    8  119      1    4    5    6    7   10   11   12   13   14   15   15   30   56   62   69   76   77   86   93 
LCS_GDT     R    17_A     R    17_A      5    8  119      3    4    5    6    7   10   11   12   13   14   15   17   21   56   68   73   83   97  106  108 
LCS_GDT     G    18_A     G    18_A      3    7  119      3    3    4    5    7   10   11   12   13   14   15   15   36   46  104  106  109  114  114  115 
LCS_GDT     S    19_A     S    19_A      4  114  119      3    3    4    5   32   49   66   93  106  110  112  113  114  114  114  114  114  114  114  115 
LCS_GDT     H    20_A     H    20_A     21  114  119      5   10   25   48   88  103  108  111  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     M    21_A     M    21_A     29  114  119     37   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     Q    22_A     Q    22_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     E    23_A     E    23_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     E    24_A     E    24_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     E    25_A     E    25_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     F    26_A     F    26_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     H    27_A     H    27_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     K    28_A     K    28_A     29  114  119     46   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     L    29_A     L    29_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     A    30_A     A    30_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     N    31_A     N    31_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     F    32_A     F    32_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     T    33_A     T    33_A     29  114  119     49   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     I    34_A     I    34_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     N    35_A     N    35_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     H    36_A     H    36_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     L    37_A     L    37_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     L    38_A     L    38_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     E    39_A     E    39_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     K    40_A     K    40_A     29  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     I    41_A     I    41_A     29  114  119     39   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     E    42_A     E    42_A     29  114  119     27   81   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     D    43_A     D    43_A     29  114  119     31   81   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     Y    44_A     Y    44_A     29  114  119     23   75   94  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     G    45_A     G    45_A     29  114  119      9   55   90  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     D    46_A     D    46_A     29  114  119      6   58   90  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     N    47_A     N    47_A     29  114  119      5   53   90  101  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     V    48_A     V    48_A     29  114  119      3    3    7   43   93  107  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     Q    49_A     Q    49_A     29  114  119     17   72   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     I    50_A     I    50_A      7  114  119      3    6   27   83  105  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     D    51_A     D    51_A     48  114  119      4    8   50   90  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     G    52_A     G    52_A     48  114  119     18   56   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     F    53_A     F    53_A     48  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     D    54_A     D    54_A     48  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     I    55_A     I    55_A     48  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     D    56_A     D    56_A     48  114  119     46   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     Y    57_A     Y    57_A     48  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     G    58_A     G    58_A     48  114  119     47   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     N    59_A     N    59_A     48  114  119      5   31   50  101  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     E    60_A     E    60_A     48  114  119     12   31   94  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     V    61_A     V    61_A     48  114  119     48   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     L    62_A     L    62_A     48  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     T    63_A     T    63_A     48  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     L    64_A     L    64_A     48  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     K    65_A     K    65_A     48  114  119     51   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     L    66_A     L    66_A     48  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     G    67_A     G    67_A     48  114  119     23   72   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     S    68_A     S    68_A     48  114  119      3   15   48   84  101  107  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     L    69_A     L    69_A     60  114  119      6   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     G    70_A     G    70_A     60  114  119     51   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     T    71_A     T    71_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     Y    72_A     Y    72_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     V    73_A     V    73_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     L    74_A     L    74_A     60  114  119     42   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     N    75_A     N    75_A     60  114  119     41   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     K    76_A     K    76_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     Q    77_A     Q    77_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     T    78_A     T    78_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     P    79_A     P    79_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     N    80_A     N    80_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     R    81_A     R    81_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     Q    82_A     Q    82_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     I    83_A     I    83_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     W    84_A     W    84_A     60  114  119     51   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     M    85_A     M    85_A     60  114  119     42   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     S    86_A     S    86_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     S    87_A     S    87_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     P    88_A     P    88_A     60  114  119     18   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     V    89_A     V    89_A     60  114  119     12   65   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     S    90_A     S    90_A     60  114  119     51   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     G    91_A     G    91_A     60  114  119     24   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     P    92_A     P    92_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     S    93_A     S    93_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     R    94_A     R    94_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     F    95_A     F    95_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     D    96_A     D    96_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     W    97_A     W    97_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     D    98_A     D    98_A     60  114  119     44   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     R    99_A     R    99_A     60  114  119      3   23   43   92  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     D   100_A     D   100_A     60  114  119      3   11   32   46   73  108  110  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     A   101_A     A   101_A     60  114  119      4   31   73  101  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     N   102_A     N   102_A     60  114  119     28   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     A   103_A     A   103_A     60  114  119     49   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     W   104_A     W   104_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     I   105_A     I   105_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     Y   106_A     Y   106_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     R   107_A     R   107_A     60  114  119     11   65   94  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     R   108_A     R   108_A     60  114  119     51   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     T   109_A     T   109_A     60  114  119     29   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     E   110_A     E   110_A     60  114  119     13   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     A   111_A     A   111_A     60  114  119     51   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     K   112_A     K   112_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     L   113_A     L   113_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     H   114_A     H   114_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     K   115_A     K   115_A     60  114  119     25   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     L   116_A     L   116_A     60  114  119     25   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     L   117_A     L   117_A     60  114  119     37   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     E   118_A     E   118_A     60  114  119     25   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     E   119_A     E   119_A     60  114  119     25   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     E   120_A     E   120_A     60  114  119     25   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     L   121_A     L   121_A     60  114  119     25   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     E   122_A     E   122_A     60  114  119     44   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     N   123_A     N   123_A     60  114  119     18   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     L   124_A     L   124_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     C   125_A     C   125_A     60  114  119     52   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     G   126_A     G   126_A     60  114  119     50   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     E   127_A     E   127_A     60  114  119     11   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     P   128_A     P   128_A     60  114  119      5   77   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     I   129_A     I   129_A     32  114  119      9   65   94  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     Q   130_A     Q   130_A     32  114  119      9   31   91  101  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     L   131_A     L   131_A     32  114  119      7   80   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_GDT     S   132_A     S   132_A     32  114  119      8   83   95  102  106  109  111  112  113  113  113  113  114  114  114  114  114  114  114  115 
LCS_AVERAGE  LCS_A:  72.26  (  36.37   86.37   94.05 )

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     52     83     95    102    106    109    111    112    113    113    113    113    114    114    114    114    114    114    114    115 
GDT PERCENT_AT  42.28  67.48  77.24  82.93  86.18  88.62  90.24  91.06  91.87  91.87  91.87  91.87  92.68  92.68  92.68  92.68  92.68  92.68  92.68  93.50
GDT RMS_LOCAL    0.32   0.54   0.70   0.84   0.95   1.07   1.18   1.24   1.35   1.35   1.35   1.35   1.59   1.59   1.59   1.59   1.59   1.59   1.59   2.05
GDT RMS_ALL_AT   8.51   8.52   8.52   8.53   8.53   8.57   8.58   8.58   8.53   8.53   8.53   8.53   8.46   8.46   8.46   8.46   8.46   8.46   8.46   8.38

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  F    32_A      F    32_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  D    54_A      D    54_A
#   possible swapping detected:  Y    57_A      Y    57_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  E   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    10_A      H    10_A    43.547     0    0.492   1.221    50.001    0.000    0.000
LGA    S    11_A      S    11_A    41.951     0    0.686   0.839    42.102    0.000    0.000
LGA    S    12_A      S    12_A    38.281     0    0.086   0.590    40.029    0.000    0.000
LGA    G    13_A      G    13_A    33.431     0    0.512   0.512    34.999    0.000    0.000
LGA    L    14_A      L    14_A    27.759     3    0.145   0.180    30.306    0.000    0.000
LGA    V    15_A      V    15_A    26.242     0    0.217   0.218    29.243    0.000    0.000
LGA    P    16_A      P    16_A    21.972     0    0.673   0.579    26.712    0.000    0.000
LGA    R    17_A      R    17_A    19.033     6    0.194   0.297    20.191    0.000    0.000
LGA    G    18_A      G    18_A    14.613     0    0.324   0.324    16.049    0.000    0.000
LGA    S    19_A      S    19_A     9.448     0    0.217   0.691    11.383    3.333    2.222
LGA    H    20_A      H    20_A     5.861     5    0.029   0.039     7.139   30.357   13.143
LGA    M    21_A      M    21_A     1.362     0    0.094   0.267     2.469   75.119   82.857
LGA    Q    22_A      Q    22_A     0.584     0    0.091   1.345     4.485   90.476   74.550
LGA    E    23_A      E    23_A     0.381     0    0.062   1.008     4.119  100.000   77.249
LGA    E    24_A      E    24_A     0.399     4    0.026   0.029     0.479  100.000   55.556
LGA    E    25_A      E    25_A     0.359     0    0.057   0.704     3.205  100.000   84.550
LGA    F    26_A      F    26_A     0.150     0    0.075   0.072     0.276  100.000  100.000
LGA    H    27_A      H    27_A     0.385     0    0.048   1.125     2.426   97.619   86.476
LGA    K    28_A      K    28_A     0.561     0    0.042   0.979     3.383   97.619   89.153
LGA    L    29_A      L    29_A     0.284     0    0.042   0.112     0.915  100.000   96.429
LGA    A    30_A      A    30_A     0.280     0    0.024   0.025     0.354  100.000  100.000
LGA    N    31_A      N    31_A     0.428     0    0.043   1.091     2.418   97.619   91.012
LGA    F    32_A      F    32_A     0.386     0    0.025   0.882     5.366  100.000   69.913
LGA    T    33_A      T    33_A     0.543     0    0.025   0.049     0.859   95.238   93.197
LGA    I    34_A      I    34_A     0.431     0    0.036   0.652     1.727  100.000   93.036
LGA    N    35_A      N    35_A     0.203     0    0.018   0.931     3.486  100.000   86.964
LGA    H    36_A      H    36_A     0.229     0    0.047   1.542     5.621  100.000   71.190
LGA    L    37_A      L    37_A     0.248     0    0.034   0.338     1.847  100.000   93.095
LGA    L    38_A      L    38_A     0.237     0    0.036   0.077     0.317  100.000  100.000
LGA    E    39_A      E    39_A     0.149     0    0.029   0.839     3.569  100.000   78.677
LGA    K    40_A      K    40_A     0.305     0    0.080   0.726     2.658   95.238   84.974
LGA    I    41_A      I    41_A     0.962     0    0.035   0.779     2.567   88.214   79.702
LGA    E    42_A      E    42_A     1.074     0    0.038   0.613     2.230   83.690   78.677
LGA    D    43_A      D    43_A     1.106     0    0.026   0.362     1.560   83.690   83.750
LGA    Y    44_A      Y    44_A     1.537     0    0.020   1.019     7.415   72.976   51.151
LGA    G    45_A      G    45_A     2.028     0    0.141   0.141     2.028   70.833   70.833
LGA    D    46_A      D    46_A     2.130     0    0.029   1.164     3.221   64.762   67.083
LGA    N    47_A      N    47_A     2.341     0    0.713   0.774     4.890   52.738   56.071
LGA    V    48_A      V    48_A     3.937     0    0.287   1.367     8.125   46.905   31.293
LGA    Q    49_A      Q    49_A     1.658     0    0.480   1.037     7.692   68.929   43.069
LGA    I    50_A      I    50_A     3.055     0    0.204   0.689     6.041   63.095   44.226
LGA    D    51_A      D    51_A     3.068     0    0.588   0.855     5.622   44.643   42.500
LGA    G    52_A      G    52_A     1.499     0    0.479   0.479     2.327   77.262   77.262
LGA    F    53_A      F    53_A     0.257     0    0.104   1.384     6.943   95.238   62.078
LGA    D    54_A      D    54_A     0.398     0    0.127   0.638     2.615   97.619   87.738
LGA    I    55_A      I    55_A     0.327     0    0.038   0.631     2.184   95.238   89.702
LGA    D    56_A      D    56_A     0.916     0    0.080   0.884     4.182   90.476   73.452
LGA    Y    57_A      Y    57_A     0.491     0    0.075   0.771     3.795   95.238   75.675
LGA    G    58_A      G    58_A     0.733     0    0.102   0.102     1.482   85.952   85.952
LGA    N    59_A      N    59_A     2.483     0    0.093   0.815     4.842   66.786   58.810
LGA    E    60_A      E    60_A     1.959     0    0.057   1.042     5.560   75.119   58.942
LGA    V    61_A      V    61_A     0.636     0    0.065   1.131     2.968   92.976   84.626
LGA    L    62_A      L    62_A     0.251     0    0.036   0.064     0.463  100.000  100.000
LGA    T    63_A      T    63_A     0.613     0    0.024   0.174     1.521   92.857   89.320
LGA    L    64_A      L    64_A     0.489     0    0.080   0.202     1.131   95.238   90.595
LGA    K    65_A      K    65_A     0.725     0    0.065   0.693     3.455   90.476   75.714
LGA    L    66_A      L    66_A     0.542     0    0.475   1.289     3.786   86.071   81.250
LGA    G    67_A      G    67_A     1.809     0    0.489   0.489     3.051   65.119   65.119
LGA    S    68_A      S    68_A     3.829     0    0.210   0.645     7.160   55.714   43.175
LGA    L    69_A      L    69_A     1.355     0    0.050   1.278     4.977   79.405   62.440
LGA    G    70_A      G    70_A     0.555     0    0.064   0.064     0.555   95.238   95.238
LGA    T    71_A      T    71_A     0.249     0    0.033   1.170     2.454   97.619   88.571
LGA    Y    72_A      Y    72_A     0.498     0    0.030   0.093     1.183   97.619   92.103
LGA    V    73_A      V    73_A     0.429     0    0.039   0.076     0.646   95.238   94.558
LGA    L    74_A      L    74_A     0.779     0    0.058   0.124     1.218   90.476   89.345
LGA    N    75_A      N    75_A     0.894     0    0.044   1.073     2.408   90.476   82.917
LGA    K    76_A      K    76_A     0.530     0    0.023   0.214     0.626   90.476   93.651
LGA    Q    77_A      Q    77_A     0.605     0    0.026   0.535     2.148   92.857   82.751
LGA    T    78_A      T    78_A     0.344     0    0.040   0.053     0.478  100.000  100.000
LGA    P    79_A      P    79_A     0.533     0    0.038   0.061     0.709   90.476   90.476
LGA    N    80_A      N    80_A     0.676     0    0.012   0.540     2.559   90.476   82.976
LGA    R    81_A      R    81_A     0.516     0    0.009   0.845     2.836   92.857   79.134
LGA    Q    82_A      Q    82_A     0.389     0    0.036   0.112     0.495  100.000  100.000
LGA    I    83_A      I    83_A     0.366     0    0.057   0.182     0.595  100.000   98.810
LGA    W    84_A      W    84_A     0.754     0    0.033   0.142     2.143   90.476   84.184
LGA    M    85_A      M    85_A     0.904     0    0.034   0.840     2.392   90.476   85.000
LGA    S    86_A      S    86_A     0.484     0    0.044   0.090     0.649   97.619   95.238
LGA    S    87_A      S    87_A     0.422     0    0.033   0.085     1.031   95.238   92.143
LGA    P    88_A      P    88_A     1.224     0    0.058   0.180     1.919   79.405   81.565
LGA    V    89_A      V    89_A     1.529     0    0.044   0.064     2.406   79.286   74.218
LGA    S    90_A      S    90_A     0.499     0    0.044   0.066     0.717   92.857   93.651
LGA    G    91_A      G    91_A     1.201     0    0.115   0.115     1.201   88.214   88.214
LGA    P    92_A      P    92_A     0.326     0    0.049   0.061     0.874   95.238   93.197
LGA    S    93_A      S    93_A     0.482     0    0.059   0.152     0.746   95.238   96.825
LGA    R    94_A      R    94_A     0.343     0    0.020   1.153     5.342  100.000   74.892
LGA    F    95_A      F    95_A     0.299     0    0.027   0.105     0.340  100.000  100.000
LGA    D    96_A      D    96_A     0.171     0    0.012   0.651     2.547  100.000   88.929
LGA    W    97_A      W    97_A     0.278     0    0.022   1.070     4.182  100.000   81.122
LGA    D    98_A      D    98_A     0.602     0    0.330   0.574     2.937   80.119   82.083
LGA    R    99_A      R    99_A     2.931     0    0.428   1.560     6.561   59.286   40.216
LGA    D   100_A      D   100_A     4.180     0    0.400   1.136     5.793   46.786   38.929
LGA    A   101_A      A   101_A     2.416     0    0.150   0.165     2.808   66.905   66.476
LGA    N   102_A      N   102_A     1.198     0    0.200   1.138     3.359   79.286   76.488
LGA    A   103_A      A   103_A     0.527     0    0.020   0.048     0.656   95.238   94.286
LGA    W   104_A      W   104_A     0.193     0    0.044   0.115     0.292  100.000  100.000
LGA    I   105_A      I   105_A     0.330     0    0.033   0.624     2.303  100.000   95.595
LGA    Y   106_A      Y   106_A     0.402     0    0.098   0.193     1.798   92.976   83.135
LGA    R   107_A      R   107_A     1.747     0    0.104   1.531     7.611   73.333   51.429
LGA    R   108_A      R   108_A     0.431     0    0.064   1.188     4.717   90.595   76.364
LGA    T   109_A      T   109_A     1.031     0    0.957   0.981     3.712   74.405   77.415
LGA    E   110_A      E   110_A     0.993     0    0.050   0.510     1.961   88.214   82.593
LGA    A   111_A      A   111_A     0.653     0    0.034   0.033     0.848   95.238   94.286
LGA    K   112_A      K   112_A     0.151     0    0.017   0.582     2.838  100.000   84.286
LGA    L   113_A      L   113_A     0.355     0    0.011   0.525     1.616  100.000   94.286
LGA    H   114_A      H   114_A     0.402     0    0.027   1.157     5.159   95.238   69.524
LGA    K   115_A      K   115_A     0.882     0    0.032   0.707     1.880   90.476   82.593
LGA    L   116_A      L   116_A     0.937     0    0.032   0.299     1.683   88.214   86.012
LGA    L   117_A      L   117_A     0.714     0    0.059   1.227     2.830   90.476   81.964
LGA    E   118_A      E   118_A     0.901     0    0.026   0.362     1.402   85.952   85.450
LGA    E   119_A      E   119_A     1.093     0    0.041   0.457     2.649   83.690   76.878
LGA    E   120_A      E   120_A     1.071     0    0.028   0.447     1.414   85.952   83.439
LGA    L   121_A      L   121_A     0.649     0    0.031   0.299     0.952   90.476   91.667
LGA    E   122_A      E   122_A     0.588     0    0.025   0.649     2.807   90.476   76.508
LGA    N   123_A      N   123_A     0.660     0    0.044   1.088     2.818   95.238   86.488
LGA    L   124_A      L   124_A     0.377     0    0.020   0.944     3.865  100.000   80.238
LGA    C   125_A      C   125_A     0.314     0    0.099   0.222     1.467   97.619   93.730
LGA    G   126_A      G   126_A     0.834     0    0.212   0.212     1.499   88.214   88.214
LGA    E   127_A      E   127_A     1.028     0    0.089   1.174     3.791   83.690   71.323
LGA    P   128_A      P   128_A     1.572     0    0.148   0.188     1.752   75.000   74.082
LGA    I   129_A      I   129_A     1.834     0    0.087   0.522     2.353   68.810   68.810
LGA    Q   130_A      Q   130_A     2.432     0    0.104   0.818     3.604   64.762   57.407
LGA    L   131_A      L   131_A     1.408     0    0.095   0.478     1.675   79.286   82.679
LGA    S   132_A      S   132_A     1.291     0    0.224   0.644     2.135   83.690   80.159

# 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):     7.684          7.601                  7.506           80.223   73.083

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    112    1.24    83.537    86.241     8.328

LGA_LOCAL      RMSD:   1.245  Number of atoms:  112  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   8.580  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   7.684  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.320552 * X  +   0.911093 * Y  +  -0.259146 * Z  +   4.014489
  Y_new =   0.200877 * X  +  -0.332745 * Y  +  -0.921374 * Z  + -46.009651
  Z_new =  -0.925686 * X  +   0.243291 * Y  +  -0.289679 * Z  +   1.131301 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.559792  1.182846  2.443012   [DEG:   32.0737   67.7721  139.9743 ]
ZXZ: -0.274177  1.864688 -1.313786   [DEG:  -15.7092  106.8388  -75.2744 ]
 
# END of job
