
#######################################################
#                                                     #
#                        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  119 (  870),  selected  113 , name one
# Molecule2: number of CA atoms  113 (  828),  selected  113 , 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:   113       7_A - 119_A       2.39     2.39
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    93      16_A - 108_A       2.00     2.50
  LONGEST_CONTINUOUS_SEGMENT:    93      17_A - 109_A       2.00     2.52
  LCS_AVERAGE:     81.71

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    55      12_A - 66_A        1.00     5.03
  LCS_AVERAGE:     46.77

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  113
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_A     E     7_A     49   86  113     27   43   60   72   78   88  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     49   86  113     30   47   65   72   81   93  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     49   86  113     25   43   59   68   77   86   94  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     49   86  113     29   43   60   72   77   86   96  106  109  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     49   86  113     30   45   63   72   79   90  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     55   86  113     30   45   63   72   79   93  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     55   86  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     55   86  113     30   47   67   72   85   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     55   86  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     55   93  113     20   45   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     55   93  113      6   45   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     55   93  113     20   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     55   93  113     29   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     55   93  113     29   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     55   93  113     24   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     55   93  113      8   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     55   93  113     24   42   61   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     55   93  113     16   42   60   69   84   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     55   93  113      4    7   60   67   75   89  100  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     55   93  113      4   37   60   69   81   93  101  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     55   93  113     26   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     55   93  113     26   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     55   93  113     26   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     55   93  113     26   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     55   93  113     29   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     55   93  113     26   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     55   93  113     26   43   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     55   93  113     26   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     55   93  113     26   42   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     55   93  113     26   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     55   93  113      9   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     55   93  113     19   47   67   72   82   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     55   93  113      9   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     55   93  113     30   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     55   93  113     24   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     55   93  113     23   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     55   93  113     26   47   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     51   93  113     26   45   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     51   93  113     26   45   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     51   93  113     26   42   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     51   93  113     26   42   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     51   93  113     26   42   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     51   93  113     26   42   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     51   93  113     24   42   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     51   93  113     26   42   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     51   93  113     26   42   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     51   93  113     26   42   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     51   93  113     26   42   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     51   93  113     26   42   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     51   93  113     26   42   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     51   93  113     26   42   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     51   93  113     26   42   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     51   93  113     18   42   60   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     51   93  113     22   42   60   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     51   93  113     22   42   60   69   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     51   93  113     24   42   60   69   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     51   93  113     24   42   60   68   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     51   93  113     20   42   60   68   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     51   93  113      3   42   60   68   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     51   93  113      3   34   60   68   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     51   93  113     22   42   60   68   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     51   93  113     24   42   60   68   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     51   93  113     24   36   59   67   75   93  101  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     51   93  113     24   34   55   67   73   80   97  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     51   93  113     12   34   55   67   73   81   99  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     51   93  113     24   41   60   67   80   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     51   93  113     24   41   60   67   84   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     51   93  113     24   42   60   68   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     51   93  113     24   42   60   68   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     51   93  113     24   40   60   69   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     51   93  113     24   34   54   72   83   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     51   93  113      7   34   42   62   77   89  100  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     51   93  113     24   36   67   72   82   93  101  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     51   93  113     19   41   67   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     51   93  113     26   42   62   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     51   93  113     24   42   60   72   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     51   93  113     24   42   60   68   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     51   93  113     24   42   60   68   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     51   93  113     24   42   60   68   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     51   93  113     22   41   60   67   77   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     51   92  113     18   34   55   67   73   86  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     51   92  113     18   34   58   67   73   88  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     51   92  113     24   36   60   67   75   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     51   92  113     24   42   60   67   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     51   92  113     24   36   60   67   85   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     51   92  113     24   36   60   68   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     51   92  113     24   40   60   67   86   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     51   92  113     24   36   60   67   84   95  102  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     51   92  113     24   34   55   67   73   86  101  106  110  112  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     50   89  113      6   31   38   49   65   74   79   90  105  111  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  76.16  (  46.77   81.71  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     30     47     67     72     86     95    102    106    110    112    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  26.55  41.59  59.29  63.72  76.11  84.07  90.27  93.81  97.35  99.12 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.65   1.03   1.09   1.73   1.89   2.06   2.15   2.27   2.35   2.39   2.39   2.39   2.39   2.39   2.39   2.39   2.39   2.39   2.39
GDT RMS_ALL_AT   5.57   4.91   3.60   3.85   2.47   2.42   2.41   2.41   2.40   2.39   2.39   2.39   2.39   2.39   2.39   2.39   2.39   2.39   2.39   2.39

# Checking swapping
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  E   118_A      E   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     3.856     0    0.041   0.990     4.746   41.786   45.344
LGA    C     8_A      C     8_A     3.233     0    0.042   0.061     3.829   46.667   51.429
LGA    A     9_A      A     9_A     4.911     0    0.048   0.059     5.555   31.548   29.524
LGA    S    10_A      S    10_A     4.653     0    0.057   0.174     4.664   34.286   34.286
LGA    N    11_A      N    11_A     3.816     0    0.002   1.026     4.094   41.786   46.071
LGA    P    12_A      P    12_A     3.399     0    0.042   0.066     3.404   50.000   51.020
LGA    C    13_A      C    13_A     2.297     0    0.046   0.044     2.738   60.952   63.571
LGA    L    14_A      L    14_A     2.511     0    0.012   0.126     3.430   62.857   59.107
LGA    N    15_A      N    15_A     2.359     0    0.054   0.133     2.709   64.762   63.810
LGA    Q    16_A      Q    16_A     2.336     0    0.030   1.176     6.015   64.762   52.487
LGA    G    17_A      G    17_A     2.181     0    0.094   0.094     2.549   62.857   62.857
LGA    T    18_A      T    18_A     1.868     0    0.093   1.136     3.587   75.000   67.619
LGA    C    19_A      C    19_A     1.986     0    0.057   0.060     2.257   68.810   67.460
LGA    I    20_A      I    20_A     1.186     0    0.034   0.508     1.343   81.429   83.690
LGA    D    21_A      D    21_A     1.303     0    0.029   0.798     4.599   85.952   70.476
LGA    D    22_A      D    22_A     0.915     0    0.033   0.872     3.707   83.690   71.964
LGA    V    23_A      V    23_A     1.417     0    0.110   0.117     2.226   75.119   74.218
LGA    A    24_A      A    24_A     1.384     0    0.483   0.474     3.156   71.429   70.095
LGA    G    25_A      G    25_A     1.388     0    0.184   0.184     1.494   81.429   81.429
LGA    Y    26_A      Y    26_A     1.798     0    0.027   0.120     3.450   70.833   61.825
LGA    K    27_A      K    27_A     1.167     0    0.049   0.291     1.917   81.429   80.529
LGA    C    28_A      C    28_A     0.987     0    0.026   0.034     1.610   92.857   87.619
LGA    N    29_A      N    29_A     0.693     0    0.030   1.399     4.491   88.214   72.619
LGA    C    30_A      C    30_A     0.675     0    0.079   0.095     0.919   90.476   92.063
LGA    L    31_A      L    31_A     1.416     0    0.073   0.206     2.131   81.429   76.131
LGA    L    32_A      L    32_A     1.667     0    0.025   0.094     2.713   70.833   67.857
LGA    P    33_A      P    33_A     1.234     0    0.068   0.091     1.703   83.810   81.565
LGA    Y    34_A      Y    34_A     0.378     0    0.043   0.068     1.580   97.619   87.619
LGA    T    35_A      T    35_A     0.677     0    0.047   0.080     0.996   90.476   90.476
LGA    G    36_A      G    36_A     1.328     0    0.011   0.011     1.528   77.143   77.143
LGA    A    37_A      A    37_A     1.909     0    0.068   0.066     2.414   72.857   71.238
LGA    T    38_A      T    38_A     1.819     0    0.046   0.106     2.739   72.857   68.299
LGA    C    39_A      C    39_A     1.131     0    0.024   0.058     1.334   81.429   81.429
LGA    E    40_A      E    40_A     1.764     0    0.068   0.212     2.427   79.286   72.116
LGA    V    41_A      V    41_A     1.104     0    0.057   0.064     1.706   85.952   82.789
LGA    V    42_A      V    42_A     0.247     0    0.026   1.089     2.650   97.619   88.639
LGA    L    43_A      L    43_A     1.149     0    0.077   0.082     1.329   83.690   82.560
LGA    A    44_A      A    44_A     1.593     0    0.051   0.055     2.033   72.976   72.952
LGA    P    45_A      P    45_A     1.817     0    0.015   0.073     2.216   68.810   70.544
LGA    C    46_A      C    46_A     2.476     0    0.074   0.078     3.325   59.167   61.032
LGA    A    47_A      A    47_A     2.743     0    0.588   0.535     4.070   57.262   53.238
LGA    P    48_A      P    48_A     4.350     0    0.681   0.706     5.335   40.476   37.551
LGA    S    49_A      S    49_A     3.515     0    0.267   0.618     5.797   46.667   39.921
LGA    P    50_A      P    50_A     2.376     0    0.024   0.032     2.609   62.857   63.673
LGA    C    51_A      C    51_A     2.370     0    0.098   0.137     2.916   62.857   63.492
LGA    R    52_A      R    52_A     2.167     0    0.021   1.027     3.897   64.762   60.736
LGA    N    53_A      N    53_A     2.094     0    0.051   0.180     2.154   64.762   67.798
LGA    G    54_A      G    54_A     2.304     0    0.039   0.039     2.304   64.762   64.762
LGA    G    55_A      G    55_A     2.035     0    0.049   0.049     2.297   64.762   64.762
LGA    E    56_A      E    56_A     2.351     0    0.010   1.114     6.941   64.762   46.561
LGA    C    57_A      C    57_A     2.286     0    0.029   0.034     2.344   64.762   64.762
LGA    R    58_A      R    58_A     2.147     0    0.038   1.275     5.500   68.810   58.961
LGA    Q    59_A      Q    59_A     1.861     0    0.016   0.674     3.866   72.857   59.735
LGA    S    60_A      S    60_A     2.396     0    0.015   0.128     2.560   64.762   63.492
LGA    E    61_A      E    61_A     2.631     0    0.023   0.773     4.312   59.048   54.180
LGA    D    62_A      D    62_A     2.235     0    0.046   0.366     3.007   64.762   62.917
LGA    Y    63_A      Y    63_A     1.952     0    0.064   0.155     2.160   70.833   70.159
LGA    E    64_A      E    64_A     2.019     0    0.034   0.880     3.738   64.762   59.153
LGA    S    65_A      S    65_A     2.388     0    0.061   0.105     2.802   64.762   62.222
LGA    F    66_A      F    66_A     2.106     0    0.030   0.061     2.206   66.786   66.970
LGA    S    67_A      S    67_A     1.897     0    0.043   0.069     2.151   70.833   71.508
LGA    C    68_A      C    68_A     1.836     0    0.022   0.037     1.992   72.857   72.857
LGA    V    69_A      V    69_A     1.756     0    0.031   0.049     2.019   72.857   71.701
LGA    C    70_A      C    70_A     1.710     0    0.033   0.044     1.740   72.857   72.857
LGA    P    71_A      P    71_A     1.780     0    0.010   0.056     1.868   72.857   72.857
LGA    T    72_A      T    72_A     1.498     0    0.024   0.046     1.763   77.143   76.531
LGA    G    73_A      G    73_A     1.091     0    0.025   0.025     1.211   81.429   81.429
LGA    W    74_A      W    74_A     1.426     0    0.046   0.069     1.989   81.429   75.306
LGA    Q    75_A      Q    75_A     1.224     0    0.032   0.545     1.870   81.429   81.481
LGA    G    76_A      G    76_A     1.350     0    0.034   0.034     1.655   79.286   79.286
LGA    Q    77_A      Q    77_A     1.552     0    0.020   0.447     2.081   75.000   76.772
LGA    T    78_A      T    78_A     1.921     0    0.015   0.056     2.035   72.857   70.544
LGA    C    79_A      C    79_A     1.834     0    0.023   0.068     1.956   72.857   72.857
LGA    E    80_A      E    80_A     1.862     0    0.054   0.961     6.842   72.857   52.434
LGA    V    81_A      V    81_A     1.520     0    0.048   0.051     1.582   75.000   77.755
LGA    D    82_A      D    82_A     1.786     0    0.063   0.139     2.457   77.143   70.952
LGA    I    83_A      I    83_A     0.921     0    0.066   0.070     1.243   88.214   90.536
LGA    N    84_A      N    84_A     1.118     0    0.039   0.088     2.006   83.690   79.405
LGA    E    85_A      E    85_A     0.567     0    0.034   0.073     0.969   90.476   93.651
LGA    C    86_A      C    86_A     1.237     0    0.082   0.089     1.381   81.429   81.429
LGA    V    87_A      V    87_A     1.332     0    0.036   0.043     1.553   81.429   80.204
LGA    L    88_A      L    88_A     1.258     0    0.458   0.348     3.997   77.262   64.821
LGA    S    89_A      S    89_A     2.233     0    0.364   0.731     5.162   64.881   57.143
LGA    P    90_A      P    90_A     2.310     0    0.130   0.205     2.547   62.857   62.585
LGA    C    91_A      C    91_A     2.437     0    0.049   0.077     2.897   60.952   63.571
LGA    R    92_A      R    92_A     3.823     0    0.022   1.366     7.536   43.452   35.411
LGA    H    93_A      H    93_A     4.992     0    0.063   0.114     5.785   30.119   26.810
LGA    G    94_A      G    94_A     4.807     0    0.104   0.104     4.807   34.286   34.286
LGA    A    95_A      A    95_A     3.327     0    0.033   0.042     3.832   48.333   50.095
LGA    S    96_A      S    96_A     3.000     0    0.073   0.101     3.148   55.357   54.762
LGA    C    97_A      C    97_A     1.833     0    0.022   0.043     2.260   68.810   71.587
LGA    Q    98_A      Q    98_A     1.817     0    0.012   0.175     3.143   75.000   69.471
LGA    N    99_A      N    99_A     1.963     0    0.058   0.219     3.355   66.905   65.000
LGA    T   100_A      T   100_A     2.876     0    0.013   0.078     3.166   57.262   58.299
LGA    H   101_A      H   101_A     4.092     0    0.026   1.157     8.086   40.238   28.905
LGA    G   102_A      G   102_A     3.366     0    0.129   0.129     3.413   50.000   50.000
LGA    G   103_A      G   103_A     2.353     0    0.046   0.046     2.636   69.048   69.048
LGA    Y   104_A      Y   104_A     0.982     0    0.050   0.109     2.134   83.810   82.460
LGA    R   105_A      R   105_A     0.597     0    0.036   1.187     6.646   90.595   67.186
LGA    C   106_A      C   106_A     1.127     0    0.055   0.099     1.604   86.071   83.095
LGA    H   107_A      H   107_A     1.712     0    0.029   1.118     2.967   68.810   67.286
LGA    C   108_A      C   108_A     2.226     0    0.008   0.060     2.580   62.976   64.921
LGA    Q   109_A      Q   109_A     3.284     0    0.025   0.695     6.554   51.786   40.688
LGA    A   110_A      A   110_A     3.796     0    0.020   0.022     4.467   41.786   40.857
LGA    G   111_A      G   111_A     3.746     0    0.136   0.136     3.746   43.333   43.333
LGA    Y   112_A      Y   112_A     3.460     0    0.036   0.106     6.805   53.810   35.992
LGA    S   113_A      S   113_A     2.406     0    0.032   0.135     3.049   57.262   57.222
LGA    G   114_A      G   114_A     2.688     0    0.029   0.029     2.688   64.881   64.881
LGA    R   115_A      R   115_A     2.186     0    0.010   0.638     4.642   64.881   58.398
LGA    N   116_A      N   116_A     2.558     0    0.022   0.347     3.451   55.357   57.321
LGA    C   117_A      C   117_A     3.032     0    0.028   0.048     3.870   48.452   52.619
LGA    E   118_A      E   118_A     4.315     0    0.060   0.133     5.167   34.524   38.783
LGA    T   119_A      T   119_A     5.685     0    0.476   0.511     6.282   22.619   21.497

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      113     452    452  100.00     828    828  100.00               113
SUMMARY(RMSD_GDC):     2.392          2.388                  2.685           67.350   64.595

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0    106    2.15    74.779    81.636     4.709

LGA_LOCAL      RMSD:   2.151  Number of atoms:  106  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.406  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.392  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.341652 * X  +  -0.528402 * Y  +   0.777217 * Z  +   6.734724
  Y_new =   0.864629 * X  +  -0.500850 * Y  +   0.039567 * Z  +  20.247713
  Z_new =   0.368361 * X  +   0.685522 * Y  +   0.627988 * Z  +  24.985958 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.947108 -0.377246  0.829172   [DEG:  111.5611  -21.6146   47.5081 ]
ZXZ:  1.621661  0.891831  0.493075   [DEG:   92.9143   51.0982   28.2511 ]
 
# END of job
