
#######################################################
#                                                     #
#                        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  130 (  978),  selected  125 , name one
# Molecule2: number of CA atoms  125 (  949),  selected  125 , 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:   121       9_A - 129_A       4.55     9.33
  LCS_AVERAGE:     94.19

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61      69_A - 129_A       1.68     9.60
  LCS_AVERAGE:     42.02

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    47      16_A - 62_A        0.99     9.80
  LCS_AVERAGE:     28.77

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  125
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     L     5_A     L     5_A      5    9   19      3    4    6    8   10   10   11   12   12   14   15   17   18   20   22   22   25   26   27   28 
LCS_GDT     K     6_A     K     6_A      8    9   19      3    5    8    9   10   10   11   12   12   15   15   17   19   20   22   23   25   26   27   28 
LCS_GDT     C     7_A     C     7_A      8    9   19      3    7    8    9   10   10   11   12   13   15   15   17   19   20   22   23   25   27   29   32 
LCS_GDT     T     8_A     T     8_A      8    9   19      3    7    8    9   10   10   11   12   13   15   15   17   19   20   22   23   25   27   29   32 
LCS_GDT     F     9_A     F     9_A      8    9  121      3    7    8    9   10   10   11   12   13   15   15   17   19   20   22   30   34   36   36   50 
LCS_GDT     S    10_A     S    10_A      8    9  121      3    7    8    9   10   10   11   12   13   15   19   26   28   33   47   51   55   62   67   79 
LCS_GDT     A    11_A     A    11_A      8    9  121      3    7    8    9   10   10   11   12   13   28   32   36   49   52   61   71   81   93  104  110 
LCS_GDT     P    12_A     P    12_A      8    9  121      3    7    8    9   11   18   26   43   53   67   87  103  114  115  116  117  117  118  118  118 
LCS_GDT     S    13_A     S    13_A      8   52  121      4    7    8    9   10   12   27   39   58   96  108  113  114  115  116  117  117  118  118  118 
LCS_GDT     H    14_A     H    14_A      4   52  121      4    4    4    9   34   45   83   96  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     S    15_A     S    15_A     24   52  121      9   24   65   97  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     T    16_A     T    16_A     47   52  121     15   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     S    17_A     S    17_A     47   52  121     13   55   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L    18_A     L    18_A     47   52  121     13   52   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L    19_A     L    19_A     47   52  121     15   60   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     Q    20_A     Q    20_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     G    21_A     G    21_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L    22_A     L    22_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     A    23_A     A    23_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     T    24_A     T    24_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L    25_A     L    25_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     R    26_A     R    26_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     A    27_A     A    27_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     Q    28_A     Q    28_A     47   52  121     28   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     G    29_A     G    29_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     Q    30_A     Q    30_A     47   52  121      7   30   81   97  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L    31_A     L    31_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L    32_A     L    32_A     47   52  121     24   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     D    33_A     D    33_A     47   52  121     15   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     V    34_A     V    34_A     47   52  121     16   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     V    35_A     V    35_A     47   52  121      8   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L    36_A     L    36_A     47   52  121     21   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     T    37_A     T    37_A     47   52  121     25   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     I    38_A     I    38_A     47   52  121      4   28   56   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     N    39_A     N    39_A     47   52  121      4    6   10   42  100  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     R    40_A     R    40_A     47   52  121      4    6   75   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     E    41_A     E    41_A     47   52  121     17   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     A    42_A     A    42_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     F    43_A     F    43_A     47   52  121      3   47   84   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     P    44_A     P    44_A     47   52  121     19   60   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     A    45_A     A    45_A     47   52  121     28   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     H    46_A     H    46_A     47   52  121     25   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     K    47_A     K    47_A     47   52  121     19   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     V    48_A     V    48_A     47   52  121     15   61   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     V    49_A     V    49_A     47   52  121     15   60   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L    50_A     L    50_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     A    51_A     A    51_A     47   52  121     22   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     A    52_A     A    52_A     47   52  121     15   54   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     C    53_A     C    53_A     47   52  121     15   51   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     S    54_A     S    54_A     47   52  121     19   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     D    55_A     D    55_A     47   52  121     25   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     Y    56_A     Y    56_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     F    57_A     F    57_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     R    58_A     R    58_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     A    59_A     A    59_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     M    60_A     M    60_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     F    61_A     F    61_A     47   52  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     T    62_A     T    62_A     47   52  121     18   61   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     G    63_A     G    63_A     23   52  121      3    4   28   87  104  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     G    64_A     G    64_A      4   52  121      4    9   22   56   94  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     M    65_A     M    65_A      4   51  121      3    4    6    7   14   25   42   63   90  110  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     R    66_A     R    66_A      4    7  121      4    4    6    6   11   17   28   37   73   86  107  113  114  115  116  117  117  118  118  118 
LCS_GDT     E    67_A     E    67_A      4    5  121      4    4    4    6    6   10   13   15   24   28   43   46   60   89   98  113  117  118  118  118 
LCS_GDT     A    68_A     A    68_A      5    5  121      4    4    5    7   10   12   17   23   28   40   71  106  113  115  116  117  117  118  118  118 
LCS_GDT     S    69_A     S    69_A      5   61  121      4    4    6    8   24   66   95  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     Q    70_A     Q    70_A      5   61  121      3    4    5   33   48   86  108  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     D    71_A     D    71_A     29   61  121     21   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     V    72_A     V    72_A     29   61  121     20   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     I    73_A     I    73_A     29   61  121     16   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     E    74_A     E    74_A     29   61  121     28   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L    75_A     L    75_A     29   61  121     17   60   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     K    76_A     K    76_A     29   61  121      7   48   84   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     G    77_A     G    77_A     29   61  121      4   55   84   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     V    78_A     V    78_A     29   61  121      4   32   83   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     S    79_A     S    79_A     29   61  121      9   35   79   97  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     A    80_A     A    80_A     29   61  121     19   55   85   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     R    81_A     R    81_A     29   61  121     15   55   84   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     G    82_A     G    82_A     32   61  121     19   58   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L    83_A     L    83_A     39   61  121     26   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     R    84_A     R    84_A     39   61  121     19   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     H    85_A     H    85_A     39   61  121     25   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     I    86_A     I    86_A     39   61  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     I    87_A     I    87_A     39   61  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     D    88_A     D    88_A     39   61  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     F    89_A     F    89_A     39   61  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     A    90_A     A    90_A     39   61  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     Y    91_A     Y    91_A     39   61  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     S    92_A     S    92_A     39   61  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     A    93_A     A    93_A     39   61  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     E    94_A     E    94_A     39   61  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     V    95_A     V    95_A     39   61  121     28   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     T    96_A     T    96_A     39   61  121      3   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L    97_A     L    97_A     39   61  121      3   34   74   96  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     D    98_A     D    98_A     39   61  121      3   46   74   96  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L    99_A     L    99_A     39   61  121      6   60   84   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     D   100_A     D   100_A     39   61  121      6   20   66   95  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     C   101_A     C   101_A     39   61  121     12   49   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     V   102_A     V   102_A     39   61  121     16   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     Q   103_A     Q   103_A     39   61  121     13   60   85   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     D   104_A     D   104_A     39   61  121     13   60   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     V   105_A     V   105_A     39   61  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L   106_A     L   106_A     39   61  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     G   107_A     G   107_A     39   61  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     A   108_A     A   108_A     39   61  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     A   109_A     A   109_A     39   61  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     V   110_A     V   110_A     39   61  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     F   111_A     F   111_A     39   61  121     29   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L   112_A     L   112_A     39   61  121     21   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     Q   113_A     Q   113_A     39   61  121     16   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     M   114_A     M   114_A     39   61  121      5   37   83   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L   115_A     L   115_A     39   61  121      5   41   83   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     P   116_A     P   116_A     39   61  121     16   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     V   117_A     V   117_A     39   61  121     16   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     V   118_A     V   118_A     39   61  121     22   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     E   119_A     E   119_A     39   61  121     16   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L   120_A     L   120_A     39   61  121     16   56   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     C   121_A     C   121_A     39   61  121     16   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     E   122_A     E   122_A     39   61  121     16   63   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     E   123_A     E   123_A     32   61  121     15   42   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     F   124_A     F   124_A     32   61  121     15   42   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     L   125_A     L   125_A     32   61  121     14   42   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     K   126_A     K   126_A     32   61  121     14   42   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     A   127_A     A   127_A     32   61  121     14   37   86   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     A   128_A     A   128_A     32   61  121     14   37   83   99  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_GDT     M   129_A     M   129_A     32   61  121     14   33   78   96  106  108  109  110  111  112  112  113  114  115  116  117  117  118  118  118 
LCS_AVERAGE  LCS_A:  54.99  (  28.77   42.02   94.19 )

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     29     63     86     99    106    108    109    110    111    112    112    113    114    115    116    117    117    118    118    118 
GDT PERCENT_AT  23.20  50.40  68.80  79.20  84.80  86.40  87.20  88.00  88.80  89.60  89.60  90.40  91.20  92.00  92.80  93.60  93.60  94.40  94.40  94.40
GDT RMS_LOCAL    0.32   0.67   0.93   1.10   1.22   1.28   1.36   1.48   1.63   1.72   1.72   1.90   2.04   2.26   2.37   2.55   2.55   2.74   2.74   2.74
GDT RMS_ALL_AT   9.89   9.78   9.69   9.73   9.70   9.71   9.70   9.69   9.68   9.67   9.67   9.65   9.64   9.64   9.63   9.58   9.58   9.58   9.58   9.58

# Checking swapping
#   possible swapping detected:  F     9_A      F     9_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    41_A      E    41_A
#   possible swapping detected:  F    43_A      F    43_A
#   possible swapping detected:  D    55_A      D    55_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  D    88_A      D    88_A
#   possible swapping detected:  D   100_A      D   100_A
#   possible swapping detected:  D   104_A      D   104_A
#   possible swapping detected:  F   111_A      F   111_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    L     5_A      L     5_A    56.832     0    0.578   1.410    59.130    0.000    0.000
LGA    K     6_A      K     6_A    50.544     0    0.126   0.595    52.674    0.000    0.000
LGA    C     7_A      C     7_A    43.670     0    0.076   0.694    45.952    0.000    0.000
LGA    T     8_A      T     8_A    36.411     0    0.078   0.109    38.936    0.000    0.000
LGA    F     9_A      F     9_A    30.405     0    0.107   1.317    32.500    0.000    0.000
LGA    S    10_A      S    10_A    23.018     0    0.127   0.640    25.703    0.000    0.000
LGA    A    11_A      A    11_A    17.703     0    0.117   0.128    19.381    0.000    0.000
LGA    P    12_A      P    12_A    10.642     0    0.716   0.604    14.220    1.071    0.612
LGA    S    13_A      S    13_A     8.359     0    0.705   0.596    10.967   10.595    7.063
LGA    H    14_A      H    14_A     6.030     0    0.037   1.048     6.977   27.738   25.190
LGA    S    15_A      S    15_A     2.144     0    0.417   0.636     4.690   63.452   55.873
LGA    T    16_A      T    16_A     1.077     0    0.053   0.049     1.377   81.429   85.306
LGA    S    17_A      S    17_A     1.474     0    0.050   0.058     1.878   81.429   78.571
LGA    L    18_A      L    18_A     1.480     0    0.018   0.199     2.028   79.286   75.060
LGA    L    19_A      L    19_A     1.226     0    0.038   1.375     4.051   81.429   72.738
LGA    Q    20_A      Q    20_A     0.903     0    0.022   0.662     3.053   88.214   74.709
LGA    G    21_A      G    21_A     0.741     0    0.022   0.022     0.861   90.476   90.476
LGA    L    22_A      L    22_A     0.975     0    0.023   0.099     1.520   90.476   84.881
LGA    A    23_A      A    23_A     0.965     0    0.021   0.023     0.979   90.476   90.476
LGA    T    24_A      T    24_A     0.883     0    0.053   1.127     3.282   90.476   82.177
LGA    L    25_A      L    25_A     0.895     0    0.029   0.168     1.144   90.476   90.536
LGA    R    26_A      R    26_A     0.747     0    0.041   0.853     3.588   90.476   78.658
LGA    A    27_A      A    27_A     1.085     0    0.073   0.090     1.519   81.548   81.524
LGA    Q    28_A      Q    28_A     1.312     0    0.215   1.222     3.806   81.429   74.339
LGA    G    29_A      G    29_A     0.897     0    0.104   0.104     1.552   81.548   81.548
LGA    Q    30_A      Q    30_A     2.111     0    0.128   0.905     3.414   70.833   64.127
LGA    L    31_A      L    31_A     0.801     0    0.247   0.194     1.328   85.952   87.083
LGA    L    32_A      L    32_A     1.176     0    0.106   1.211     4.972   81.429   67.321
LGA    D    33_A      D    33_A     1.202     0    0.259   1.246     3.813   88.333   79.048
LGA    V    34_A      V    34_A     1.123     0    0.152   0.891     3.234   81.429   75.714
LGA    V    35_A      V    35_A     1.112     0    0.076   0.086     1.954   83.690   79.048
LGA    L    36_A      L    36_A     0.560     0    0.042   0.130     0.887   90.476   90.476
LGA    T    37_A      T    37_A     0.518     0    0.177   0.228     0.922   92.857   91.837
LGA    I    38_A      I    38_A     2.030     0    0.076   1.296     4.488   70.952   69.821
LGA    N    39_A      N    39_A     2.980     0    0.044   0.925     3.723   59.048   52.024
LGA    R    40_A      R    40_A     2.033     0    0.060   1.056     5.141   72.976   54.372
LGA    E    41_A      E    41_A     0.652     0    0.071   0.089     1.941   92.857   83.651
LGA    A    42_A      A    42_A     0.464     0    0.090   0.092     2.390   86.548   83.810
LGA    F    43_A      F    43_A     1.559     0    0.147   1.286     7.667   79.286   49.004
LGA    P    44_A      P    44_A     0.995     0    0.092   0.126     1.384   88.214   85.306
LGA    A    45_A      A    45_A     0.779     0    0.097   0.119     0.921   90.476   90.476
LGA    H    46_A      H    46_A     0.545     0    0.098   0.218     1.010   92.857   92.429
LGA    K    47_A      K    47_A     0.635     0    0.041   0.781     6.133   92.857   66.243
LGA    V    48_A      V    48_A     1.032     0    0.076   0.970     2.684   85.952   79.320
LGA    V    49_A      V    49_A     0.948     0    0.020   0.043     1.206   88.214   86.599
LGA    L    50_A      L    50_A     0.487     0    0.033   0.109     1.111   95.238   92.917
LGA    A    51_A      A    51_A     0.759     0    0.066   0.076     1.352   85.952   86.857
LGA    A    52_A      A    52_A     1.312     0    0.181   0.192     1.656   81.548   79.810
LGA    C    53_A      C    53_A     1.570     0    0.234   0.673     2.732   81.548   76.032
LGA    S    54_A      S    54_A     0.911     0    0.059   0.068     1.256   88.214   88.968
LGA    D    55_A      D    55_A     0.684     0    0.067   0.188     1.636   92.857   86.131
LGA    Y    56_A      Y    56_A     0.182     0    0.055   0.156     1.040  100.000   93.730
LGA    F    57_A      F    57_A     0.294     0    0.038   0.288     0.710  100.000   96.537
LGA    R    58_A      R    58_A     0.318     0    0.039   1.669     6.135  100.000   76.840
LGA    A    59_A      A    59_A     0.270     0    0.034   0.039     0.363  100.000  100.000
LGA    M    60_A      M    60_A     0.373     0    0.033   1.174     3.810  100.000   84.167
LGA    F    61_A      F    61_A     0.419     0    0.108   0.111     1.344   92.976   88.095
LGA    T    62_A      T    62_A     1.248     0    0.368   0.312     2.413   77.381   73.129
LGA    G    63_A      G    63_A     3.121     0    0.686   0.686     3.121   59.167   59.167
LGA    G    64_A      G    64_A     4.797     0    0.333   0.333     8.558   22.738   22.738
LGA    M    65_A      M    65_A     9.209     0    0.098   0.895    16.788    8.333    4.167
LGA    R    66_A      R    66_A    10.171     0    0.285   1.268    16.417    0.119    0.043
LGA    E    67_A      E    67_A    12.172     0    0.093   1.160    18.240    0.000    0.000
LGA    A    68_A      A    68_A     9.842     0    0.647   0.582    10.725    7.262    5.810
LGA    S    69_A      S    69_A     7.372     0    0.267   0.608    11.474   13.333    8.968
LGA    Q    70_A      Q    70_A     6.148     0    0.065   0.181    14.424   29.405   13.598
LGA    D    71_A      D    71_A     1.417     0    0.638   1.191     4.921   72.976   55.119
LGA    V    72_A      V    72_A     1.302     0    0.032   0.110     1.522   79.286   80.204
LGA    I    73_A      I    73_A     1.160     0    0.028   0.064     1.738   85.952   81.548
LGA    E    74_A      E    74_A     0.485     0    0.016   0.056     1.156   90.595   90.582
LGA    L    75_A      L    75_A     1.025     0    0.179   0.224     1.538   81.548   82.619
LGA    K    76_A      K    76_A     1.986     0    0.116   0.646     2.267   70.833   70.317
LGA    G    77_A      G    77_A     1.880     0    0.058   0.058     1.977   72.857   72.857
LGA    V    78_A      V    78_A     2.189     0    0.037   0.062     2.827   70.952   67.211
LGA    S    79_A      S    79_A     2.306     0    0.115   0.509     3.080   70.952   67.778
LGA    A    80_A      A    80_A     1.509     0    0.053   0.056     1.880   77.143   76.286
LGA    R    81_A      R    81_A     1.791     0    0.015   1.038     5.037   75.000   56.407
LGA    G    82_A      G    82_A     1.271     0    0.000   0.000     1.515   83.810   83.810
LGA    L    83_A      L    83_A     0.622     0    0.021   1.205     2.747   92.857   85.476
LGA    R    84_A      R    84_A     0.884     0    0.055   1.306     7.437   90.476   59.134
LGA    H    85_A      H    85_A     0.868     0    0.051   0.250     2.130   90.476   81.714
LGA    I    86_A      I    86_A     0.527     0    0.030   0.156     0.716   95.238   94.048
LGA    I    87_A      I    87_A     0.205     0    0.039   0.639     2.078  100.000   95.595
LGA    D    88_A      D    88_A     0.315     0    0.035   0.165     0.550  100.000   98.810
LGA    F    89_A      F    89_A     0.233     0    0.041   0.097     0.531  100.000   99.134
LGA    A    90_A      A    90_A     0.345     0    0.038   0.037     0.724   95.238   94.286
LGA    Y    91_A      Y    91_A     0.768     0    0.202   0.210     1.472   88.214   89.722
LGA    S    92_A      S    92_A     0.826     0    0.032   0.041     0.973   90.476   90.476
LGA    A    93_A      A    93_A     0.958     0    0.051   0.052     1.100   90.476   88.667
LGA    E    94_A      E    94_A     0.961     0    0.073   0.680     2.363   85.952   79.683
LGA    V    95_A      V    95_A     0.980     0    0.052   0.057     1.227   85.952   87.891
LGA    T    96_A      T    96_A     0.942     0    0.142   0.199     1.620   83.810   86.667
LGA    L    97_A      L    97_A     2.337     0    0.079   1.271     2.980   66.786   63.869
LGA    D    98_A      D    98_A     2.386     0    0.086   1.046     3.163   75.357   69.345
LGA    L    99_A      L    99_A     1.731     0    0.101   1.367     3.123   71.071   66.310
LGA    D   100_A      D   100_A     2.418     0    0.057   0.924     5.899   65.238   49.048
LGA    C   101_A      C   101_A     1.295     0    0.082   0.747     3.875   83.810   76.667
LGA    V   102_A      V   102_A     0.940     0    0.051   1.063     2.777   85.952   79.456
LGA    Q   103_A      Q   103_A     1.434     0    0.034   0.851     2.442   81.429   75.820
LGA    D   104_A      D   104_A     1.284     0    0.017   1.017     3.456   85.952   77.619
LGA    V   105_A      V   105_A     0.604     0    0.027   0.052     0.731   90.476   90.476
LGA    L   106_A      L   106_A     0.678     0    0.023   0.046     0.968   90.476   90.476
LGA    G   107_A      G   107_A     0.758     0    0.035   0.035     0.797   90.476   90.476
LGA    A   108_A      A   108_A     0.535     0    0.069   0.064     0.653   95.238   94.286
LGA    A   109_A      A   109_A     0.461     0    0.031   0.036     0.505   95.238   96.190
LGA    V   110_A      V   110_A     0.641     0    0.029   0.074     0.868   90.476   90.476
LGA    F   111_A      F   111_A     0.769     0    0.060   0.537     2.134   90.476   81.688
LGA    L   112_A      L   112_A     1.135     0    0.237   0.220     2.496   81.548   76.190
LGA    Q   113_A      Q   113_A     1.378     0    0.071   1.223     6.256   77.143   61.111
LGA    M   114_A      M   114_A     1.862     0    0.094   1.163     3.024   72.857   68.036
LGA    L   115_A      L   115_A     1.848     0    0.059   0.182     3.081   72.857   67.976
LGA    P   116_A      P   116_A     1.290     0    0.086   0.105     1.499   81.429   81.429
LGA    V   117_A      V   117_A     1.089     0    0.039   0.049     1.212   83.690   84.014
LGA    V   118_A      V   118_A     0.716     0    0.027   0.060     0.983   90.476   91.837
LGA    E   119_A      E   119_A     0.935     0    0.020   0.376     1.754   85.952   84.550
LGA    L   120_A      L   120_A     1.129     0    0.045   1.035     4.635   81.429   68.214
LGA    C   121_A      C   121_A     0.668     0    0.012   0.042     0.839   90.476   92.063
LGA    E   122_A      E   122_A     0.829     0    0.034   0.822     4.140   85.952   72.275
LGA    E   123_A      E   123_A     1.543     0    0.031   1.050     6.111   75.000   55.556
LGA    F   124_A      F   124_A     1.427     0    0.058   1.032     6.022   81.429   57.706
LGA    L   125_A      L   125_A     1.405     0    0.037   0.167     1.543   79.286   80.357
LGA    K   126_A      K   126_A     1.651     0    0.025   1.436     6.953   70.833   55.079
LGA    A   127_A      A   127_A     1.848     0    0.034   0.032     2.087   70.833   71.238
LGA    A   128_A      A   128_A     2.021     0    0.056   0.066     2.265   66.786   68.000
LGA    M   129_A      M   129_A     2.328     0    0.097   1.084     7.277   62.857   53.810

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      125     500    500  100.00     949    949  100.00               125
SUMMARY(RMSD_GDC):     9.035          8.880                  9.384           73.630   68.743

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  130  125    4.0    110    1.48    77.800    71.953     6.953

LGA_LOCAL      RMSD:   1.482  Number of atoms:  110  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.689  Number of assigned atoms:  125 
Std_ASGN_ATOMS RMSD:   9.035  Standard rmsd on all 125 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.443104 * X  +   0.133173 * Y  +   0.886523 * Z  +   3.608160
  Y_new =  -0.227655 * X  +  -0.939771 * Y  +   0.254959 * Z  + -102.768661
  Z_new =   0.867082 * X  +  -0.314795 * Y  +  -0.386099 * Z  +  -9.983786 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.474605 -1.049315 -2.457579   [DEG:  -27.1929  -60.1213 -140.8089 ]
ZXZ:  1.850833  1.967195  1.919050   [DEG:  106.0449  112.7120  109.9535 ]
 
# END of job
