
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  132 ( 1072),  selected  123 , name one
# Molecule2: number of CA atoms  123 (  980),  selected  123 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      10_A - 132_A       4.78     4.78
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      15_A - 132_A       1.90     5.09
  LCS_AVERAGE:     92.27

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   115      18_A - 132_A       0.95     5.29
  LCS_AVERAGE:     87.64

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    7  123      3    3    4    5    6    8    9   11   13   13   15   16   18   18   20   21   22   30   37   38 
LCS_GDT     S    11_A     S    11_A      3    7  123      3    3    4    5    7    8   10   11   14   16   17   22   25   37   40   44   46   52   61   66 
LCS_GDT     S    12_A     S    12_A      3    7  123      3    3    4    4    7    8   10   11   14   16   21   27   30   37   42   49   53   61   79   89 
LCS_GDT     G    13_A     G    13_A      5    7  123      3    4    5    5    7    8   10   11   14   16   17   27   30   37   40   45   53   59   77   89 
LCS_GDT     L    14_A     L    14_A      5    7  123      3    4    5    5    7    8   10   11   13   18   23   32   51   53   66   86  101  106  115  116 
LCS_GDT     V    15_A     V    15_A      5  118  123      3    4    7   14   22   28   32   33   46   65   84   94  106  112  118  118  118  118  118  118 
LCS_GDT     P    16_A     P    16_A      5  118  123      3    4    5   31   39   56   75   88  108  112  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     R    17_A     R    17_A      5  118  123      4    4    5    6   30   56   76   95  108  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     G    18_A     G    18_A    115  118  123      4    4    5    5    7    8   10   26   50   93  115  117  117  117  118  118  118  118  118  118 
LCS_GDT     S    19_A     S    19_A    115  118  123      4   36  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     H    20_A     H    20_A    115  118  123      8   27   70  106  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     M    21_A     M    21_A    115  118  123     25  105  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     Q    22_A     Q    22_A    115  118  123     29  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     E    23_A     E    23_A    115  118  123     43  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     E    24_A     E    24_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     E    25_A     E    25_A    115  118  123     79  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     F    26_A     F    26_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     H    27_A     H    27_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     K    28_A     K    28_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     L    29_A     L    29_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     A    30_A     A    30_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     N    31_A     N    31_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     F    32_A     F    32_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     T    33_A     T    33_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     I    34_A     I    34_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     N    35_A     N    35_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     H    36_A     H    36_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     L    37_A     L    37_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     L    38_A     L    38_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     E    39_A     E    39_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     K    40_A     K    40_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     I    41_A     I    41_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     E    42_A     E    42_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     D    43_A     D    43_A    115  118  123     73  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     Y    44_A     Y    44_A    115  118  123     63  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     G    45_A     G    45_A    115  118  123     63  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     D    46_A     D    46_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     N    47_A     N    47_A    115  118  123     50  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     V    48_A     V    48_A    115  118  123     23  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     Q    49_A     Q    49_A    115  118  123     49  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     I    50_A     I    50_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     D    51_A     D    51_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     G    52_A     G    52_A    115  118  123     75  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     F    53_A     F    53_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     D    54_A     D    54_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     I    55_A     I    55_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     D    56_A     D    56_A    115  118  123     23   96  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     Y    57_A     Y    57_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     G    58_A     G    58_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     N    59_A     N    59_A    115  118  123     79  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     E    60_A     E    60_A    115  118  123     49  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     V    61_A     V    61_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     L    62_A     L    62_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     T    63_A     T    63_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     L    64_A     L    64_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     K    65_A     K    65_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     L    66_A     L    66_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     G    67_A     G    67_A    115  118  123     61  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     S    68_A     S    68_A    115  118  123     31  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     L    69_A     L    69_A    115  118  123     42  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     G    70_A     G    70_A    115  118  123     42  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     T    71_A     T    71_A    115  118  123     79  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     Y    72_A     Y    72_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     V    73_A     V    73_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     L    74_A     L    74_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     N    75_A     N    75_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     K    76_A     K    76_A    115  118  123     53  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     Q    77_A     Q    77_A    115  118  123     49  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     T    78_A     T    78_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     P    79_A     P    79_A    115  118  123     76  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     N    80_A     N    80_A    115  118  123     79  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     R    81_A     R    81_A    115  118  123     76  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     Q    82_A     Q    82_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     I    83_A     I    83_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     W    84_A     W    84_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     M    85_A     M    85_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     S    86_A     S    86_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     S    87_A     S    87_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     P    88_A     P    88_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     V    89_A     V    89_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     S    90_A     S    90_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     G    91_A     G    91_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     P    92_A     P    92_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     S    93_A     S    93_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     R    94_A     R    94_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     F    95_A     F    95_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     D    96_A     D    96_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     W    97_A     W    97_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     D    98_A     D    98_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     R    99_A     R    99_A    115  118  123     24  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     D   100_A     D   100_A    115  118  123     76  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     A   101_A     A   101_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     N   102_A     N   102_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     A   103_A     A   103_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     W   104_A     W   104_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     I   105_A     I   105_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     Y   106_A     Y   106_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     R   107_A     R   107_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     R   108_A     R   108_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     T   109_A     T   109_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     E   110_A     E   110_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     A   111_A     A   111_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     K   112_A     K   112_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     L   113_A     L   113_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     H   114_A     H   114_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     K   115_A     K   115_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     L   116_A     L   116_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     L   117_A     L   117_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     E   118_A     E   118_A    115  118  123     75  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     E   119_A     E   119_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     E   120_A     E   120_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     L   121_A     L   121_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     E   122_A     E   122_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     N   123_A     N   123_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     L   124_A     L   124_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     C   125_A     C   125_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     G   126_A     G   126_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     E   127_A     E   127_A    115  118  123     73  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     P   128_A     P   128_A    115  118  123     74  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     I   129_A     I   129_A    115  118  123     57  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     Q   130_A     Q   130_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     L   131_A     L   131_A    115  118  123     81  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_GDT     S   132_A     S   132_A    115  118  123     73  110  112  113  114  114  114  114  114  115  116  117  117  117  118  118  118  118  118  118 
LCS_AVERAGE  LCS_A:  93.30  (  87.64   92.27  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     81    110    112    113    114    114    114    114    114    115    116    117    117    117    118    118    118    118    118    118 
GDT PERCENT_AT  65.85  89.43  91.06  91.87  92.68  92.68  92.68  92.68  92.68  93.50  94.31  95.12  95.12  95.12  95.93  95.93  95.93  95.93  95.93  95.93
GDT RMS_LOCAL    0.36   0.49   0.53   0.55   0.65   0.65   0.65   0.65   0.65   1.04   1.34   1.49   1.49   1.49   1.90   1.90   1.90   1.90   1.90   1.90
GDT RMS_ALL_AT   5.39   5.35   5.33   5.34   5.31   5.31   5.31   5.31   5.31   5.25   5.18   5.17   5.17   5.17   5.09   5.09   5.09   5.09   5.09   5.09

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  E    25_A      E    25_A
#   possible swapping detected:  F    26_A      F    26_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    42_A      E    42_A
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  Y    57_A      Y    57_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  Y    72_A      Y    72_A
#   possible swapping detected:  Y   106_A      Y   106_A
#   possible swapping detected:  E   110_A      E   110_A
#   possible swapping detected:  E   118_A      E   118_A
#   possible swapping detected:  E   119_A      E   119_A
#   possible swapping detected:  E   120_A      E   120_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    30.419     0    0.489   1.057    38.575    0.000    0.000
LGA    S    11_A      S    11_A    26.097     0    0.662   0.569    27.262    0.000    0.000
LGA    S    12_A      S    12_A    24.024     0    0.160   0.616    24.863    0.000    0.000
LGA    G    13_A      G    13_A    21.698     0    0.406   0.406    22.507    0.000    0.000
LGA    L    14_A      L    14_A    18.579     3    0.041   0.047    20.105    0.000    0.000
LGA    V    15_A      V    15_A    13.821     0    0.024   0.111    16.753    0.000    0.000
LGA    P    16_A      P    16_A     9.735     0    0.054   0.200    10.637    2.024    1.769
LGA    R    17_A      R    17_A     8.879     6    0.596   0.582     9.873    2.381    0.996
LGA    G    18_A      G    18_A     7.477     0    0.124   0.124     7.477   16.667   16.667
LGA    S    19_A      S    19_A     1.593     0    0.435   0.383     3.187   65.357   65.159
LGA    H    20_A      H    20_A     3.691     5    0.443   0.420     6.241   53.810   23.238
LGA    M    21_A      M    21_A     1.591     0    0.012   0.166     2.016   72.976   79.464
LGA    Q    22_A      Q    22_A     1.360     0    0.028   1.071     4.861   83.690   68.836
LGA    E    23_A      E    23_A     0.932     0    0.052   0.101     1.404   88.214   84.444
LGA    E    24_A      E    24_A     0.314     4    0.022   0.025     0.405  100.000   55.556
LGA    E    25_A      E    25_A     0.355     0    0.047   0.234     1.106  100.000   95.820
LGA    F    26_A      F    26_A     0.276     0    0.059   0.066     0.433  100.000  100.000
LGA    H    27_A      H    27_A     0.419     0    0.038   0.048     0.853   97.619   93.333
LGA    K    28_A      K    28_A     0.610     0    0.030   0.832     3.145   92.857   82.540
LGA    L    29_A      L    29_A     0.443     0    0.006   1.375     3.221   97.619   83.810
LGA    A    30_A      A    30_A     0.259     0    0.017   0.018     0.310  100.000  100.000
LGA    N    31_A      N    31_A     0.346     0    0.023   0.250     0.639  100.000   97.619
LGA    F    32_A      F    32_A     0.440     0    0.009   0.265     1.270  100.000   91.515
LGA    T    33_A      T    33_A     0.492     0    0.026   0.049     0.725  100.000   95.918
LGA    I    34_A      I    34_A     0.442     0    0.033   0.620     2.124  100.000   94.405
LGA    N    35_A      N    35_A     0.428     0    0.013   0.884     4.030  100.000   82.381
LGA    H    36_A      H    36_A     0.504     0    0.014   0.065     0.717   95.238   92.381
LGA    L    37_A      L    37_A     0.338     0    0.019   0.096     0.577  100.000   96.429
LGA    L    38_A      L    38_A     0.285     0    0.059   0.069     0.358  100.000  100.000
LGA    E    39_A      E    39_A     0.384     0    0.040   0.315     1.644  100.000   93.810
LGA    K    40_A      K    40_A     0.443     0    0.025   0.488     1.557  100.000   93.862
LGA    I    41_A      I    41_A     0.424     0    0.072   0.163     1.037  100.000   94.107
LGA    E    42_A      E    42_A     0.395     0    0.020   0.650     2.452  100.000   87.989
LGA    D    43_A      D    43_A     0.718     0    0.041   0.118     1.279   90.476   89.345
LGA    Y    44_A      Y    44_A     0.736     0    0.018   0.158     0.784   90.476   92.063
LGA    G    45_A      G    45_A     0.690     0    0.029   0.029     0.690   90.476   90.476
LGA    D    46_A      D    46_A     0.582     0    0.024   0.048     0.904   90.476   90.476
LGA    N    47_A      N    47_A     0.616     0    0.030   0.159     0.808   92.857   91.667
LGA    V    48_A      V    48_A     0.789     0    0.043   0.917     3.210   95.238   81.361
LGA    Q    49_A      Q    49_A     0.768     0    0.070   1.072     5.960   90.476   69.365
LGA    I    50_A      I    50_A     0.359     0    0.022   0.046     0.471  100.000  100.000
LGA    D    51_A      D    51_A     0.251     0    0.031   0.790     3.327   97.619   81.905
LGA    G    52_A      G    52_A     0.511     0    0.036   0.036     0.516   95.238   95.238
LGA    F    53_A      F    53_A     0.424     0    0.048   0.093     0.570   97.619   99.134
LGA    D    54_A      D    54_A     0.237     0    0.110   0.267     0.821   97.619   97.619
LGA    I    55_A      I    55_A     0.511     0    0.030   0.049     1.253   90.595   88.274
LGA    D    56_A      D    56_A     1.292     0    0.134   0.322     2.653   88.214   76.548
LGA    Y    57_A      Y    57_A     0.320     0    0.095   0.219     1.517   97.619   89.127
LGA    G    58_A      G    58_A     0.179     0    0.058   0.058     0.592   97.619   97.619
LGA    N    59_A      N    59_A     0.404     0    0.039   0.913     2.088   95.238   87.440
LGA    E    60_A      E    60_A     0.709     0    0.037   0.150     0.951   90.476   90.476
LGA    V    61_A      V    61_A     0.315     0    0.077   1.152     2.460  100.000   89.932
LGA    L    62_A      L    62_A     0.234     0    0.051   0.060     0.414  100.000  100.000
LGA    T    63_A      T    63_A     0.317     0    0.017   0.146     1.049  100.000   95.986
LGA    L    64_A      L    64_A     0.248     0    0.027   0.031     0.294  100.000  100.000
LGA    K    65_A      K    65_A     0.410     0    0.028   1.070     3.896  100.000   88.730
LGA    L    66_A      L    66_A     0.210     0    0.034   0.082     0.351  100.000  100.000
LGA    G    67_A      G    67_A     0.604     0    0.037   0.037     0.789   92.857   92.857
LGA    S    68_A      S    68_A     0.993     0    0.059   0.612     3.354   88.214   80.714
LGA    L    69_A      L    69_A     0.908     0    0.039   0.072     1.192   88.214   89.345
LGA    G    70_A      G    70_A     0.808     0    0.025   0.025     0.808   90.476   90.476
LGA    T    71_A      T    71_A     0.463     0    0.020   0.032     0.560   95.238   95.918
LGA    Y    72_A      Y    72_A     0.206     0    0.021   0.129     0.792  100.000   97.619
LGA    V    73_A      V    73_A     0.233     0    0.016   0.025     0.282  100.000  100.000
LGA    L    74_A      L    74_A     0.363     0    0.031   0.207     0.881  100.000   96.429
LGA    N    75_A      N    75_A     0.345     0    0.023   1.011     2.183   97.619   90.000
LGA    K    76_A      K    76_A     0.604     0    0.023   0.377     1.761   90.476   87.513
LGA    Q    77_A      Q    77_A     0.698     0    0.042   1.079     3.915   92.857   81.376
LGA    T    78_A      T    78_A     0.387     0    0.053   0.056     0.409  100.000  100.000
LGA    P    79_A      P    79_A     0.521     0    0.038   0.051     0.790   95.238   93.197
LGA    N    80_A      N    80_A     0.439     0    0.021   0.394     1.179   97.619   95.298
LGA    R    81_A      R    81_A     0.542     0    0.039   1.021     2.992   97.619   80.736
LGA    Q    82_A      Q    82_A     0.398     0    0.016   0.185     0.781  100.000   97.884
LGA    I    83_A      I    83_A     0.360     0    0.030   0.046     0.484  100.000  100.000
LGA    W    84_A      W    84_A     0.263     0    0.011   1.117     8.001  100.000   53.537
LGA    M    85_A      M    85_A     0.246     0    0.020   0.222     0.889  100.000   98.810
LGA    S    86_A      S    86_A     0.245     0    0.038   0.060     0.572  100.000   98.413
LGA    S    87_A      S    87_A     0.298     0    0.032   0.044     0.368  100.000  100.000
LGA    P    88_A      P    88_A     0.171     0    0.024   0.056     0.271  100.000  100.000
LGA    V    89_A      V    89_A     0.194     0    0.064   0.128     0.403  100.000  100.000
LGA    S    90_A      S    90_A     0.200     0    0.032   0.047     0.266  100.000  100.000
LGA    G    91_A      G    91_A     0.114     0    0.113   0.113     0.486  100.000  100.000
LGA    P    92_A      P    92_A     0.577     0    0.026   0.055     0.974   92.857   91.837
LGA    S    93_A      S    93_A     0.540     0    0.037   0.588     1.611   92.857   89.127
LGA    R    94_A      R    94_A     0.300     0    0.073   0.871     3.900  100.000   88.182
LGA    F    95_A      F    95_A     0.316     0    0.022   0.055     0.545  100.000   98.268
LGA    D    96_A      D    96_A     0.412     0    0.046   0.197     0.734  100.000   98.810
LGA    W    97_A      W    97_A     0.524     0    0.014   0.056     0.651   90.476   90.476
LGA    D    98_A      D    98_A     0.506     0    0.043   0.053     0.692   90.476   95.238
LGA    R    99_A      R    99_A     0.781     0    0.076   0.231     1.430   88.214   85.541
LGA    D   100_A      D   100_A     0.516     0    0.061   0.169     0.966   90.476   90.476
LGA    A   101_A      A   101_A     0.486     0    0.039   0.035     0.749   95.238   96.190
LGA    N   102_A      N   102_A     0.392     0    0.024   1.359     4.151  100.000   78.512
LGA    A   103_A      A   103_A     0.449     0    0.044   0.061     0.539  100.000   98.095
LGA    W   104_A      W   104_A     0.396     0    0.065   0.099     0.602   97.619   97.279
LGA    I   105_A      I   105_A     0.269     0    0.011   0.592     2.118  100.000   95.595
LGA    Y   106_A      Y   106_A     0.179     0    0.026   0.053     0.255  100.000  100.000
LGA    R   107_A      R   107_A     0.532     0    0.055   0.509     1.152   97.619   90.606
LGA    R   108_A      R   108_A     0.471     0    0.084   0.910     4.696  100.000   74.848
LGA    T   109_A      T   109_A     0.638     0    0.047   0.091     0.871   90.476   90.476
LGA    E   110_A      E   110_A     0.507     0    0.015   0.359     1.757   95.238   91.693
LGA    A   111_A      A   111_A     0.531     0    0.032   0.045     0.620   97.619   96.190
LGA    K   112_A      K   112_A     0.533     0    0.025   0.173     1.250   92.857   89.524
LGA    L   113_A      L   113_A     0.503     0    0.017   0.044     0.580   95.238   96.429
LGA    H   114_A      H   114_A     0.349     0    0.034   1.125     5.772   97.619   69.000
LGA    K   115_A      K   115_A     0.551     0    0.053   0.725     3.963   90.476   80.423
LGA    L   116_A      L   116_A     0.464     0    0.031   0.081     0.906  100.000   96.429
LGA    L   117_A      L   117_A     0.493     0    0.046   1.319     2.675   95.238   84.583
LGA    E   118_A      E   118_A     0.576     0    0.021   0.150     0.805   90.476   90.476
LGA    E   119_A      E   119_A     0.424     0    0.035   1.182     5.006   97.619   76.614
LGA    E   120_A      E   120_A     0.349     0    0.030   0.188     0.804  100.000   98.942
LGA    L   121_A      L   121_A     0.353     0    0.025   0.031     0.414  100.000  100.000
LGA    E   122_A      E   122_A     0.513     0    0.033   0.182     0.902   92.857   91.534
LGA    N   123_A      N   123_A     0.480     0    0.028   0.081     0.679   97.619   96.429
LGA    L   124_A      L   124_A     0.218     0    0.013   0.147     0.526  100.000   98.810
LGA    C   125_A      C   125_A     0.522     0    0.041   0.056     0.624   97.619   95.238
LGA    G   126_A      G   126_A     0.453     0    0.072   0.072     0.516   97.619   97.619
LGA    E   127_A      E   127_A     0.630     0    0.040   0.415     1.326   90.476   88.466
LGA    P   128_A      P   128_A     0.600     0    0.043   0.064     0.663   90.476   90.476
LGA    I   129_A      I   129_A     0.704     0    0.043   0.082     0.836   90.476   90.476
LGA    Q   130_A      Q   130_A     0.501     0    0.040   1.042     3.526   92.857   78.942
LGA    L   131_A      L   131_A     0.498     0    0.060   0.065     0.824   92.857   91.667
LGA    S   132_A      S   132_A     0.652     0    0.550   0.528     1.896   88.452   87.619

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     980    980  100.00               123
SUMMARY(RMSD_GDC):     4.777          4.691                  4.799           88.563   83.757

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    114    0.65    92.480    92.682    15.236

LGA_LOCAL      RMSD:   0.648  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.310  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   4.777  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.052170 * X  +  -0.940499 * Y  +  -0.335767 * Z  +  -6.692066
  Y_new =  -0.190220 * X  +  -0.320710 * Y  +   0.927880 * Z  + -29.035563
  Z_new =  -0.980354 * X  +   0.112277 * Y  +  -0.162170 * Z  +  10.710728 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.838477  1.372250  2.536025   [DEG: -105.3370   78.6241  145.3035 ]
ZXZ: -2.794387  1.733686 -1.456766   [DEG: -160.1066   99.3329  -83.4665 ]
 
# END of job
