
#######################################################
#                                                     #
#                        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       4.19     4.19
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   118      15_A - 132_A       1.71     4.48
  LCS_AVERAGE:     92.33

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   114      19_A - 132_A       0.67     4.66
  LCS_AVERAGE:     86.15

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     H    10_A     H    10_A      3    9  123      3    5    5    6    8    9    9   10   13   15   17   20   21   24   27   39   50   51   58   62 
LCS_GDT     S    11_A     S    11_A      3    9  123      3    3    3    4    8    9    9   13   18   22   26   29   36   45   49   57   66   85   94  106 
LCS_GDT     S    12_A     S    12_A      3    9  123      3    3    3    6    8    9   11   15   19   26   31   38   43   52   58   75   87  102  107  113 
LCS_GDT     G    13_A     G    13_A      5    9  123      3    4    5    6    8    9    9   10   18   22   24   28   34   45   49   57   77   88  106  110 
LCS_GDT     L    14_A     L    14_A      5    9  123      3    4    5    6    8    9   15   25   32   37   54   66   87   95  105  114  117  119  119  119 
LCS_GDT     V    15_A     V    15_A      5  118  123      3    4    8   24   31   34   48   70   84   94  109  116  117  117  118  118  118  119  119  119 
LCS_GDT     P    16_A     P    16_A      5  118  123      3    4    5   27   37   65   95  110  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     R    17_A     R    17_A      5  118  123      4    5    5    8   37   47   95  110  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     G    18_A     G    18_A      4  118  123      4    5    5    6    8    9    9   10   12   29   74  111  117  117  118  118  118  119  119  119 
LCS_GDT     S    19_A     S    19_A    114  118  123      4    5    5  111  113  113  114  114  114  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     H    20_A     H    20_A    114  118  123      8   33   86  110  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     M    21_A     M    21_A    114  118  123     28  106  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     Q    22_A     Q    22_A    114  118  123     35  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     E    23_A     E    23_A    114  118  123     72  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     E    24_A     E    24_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     E    25_A     E    25_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     F    26_A     F    26_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     H    27_A     H    27_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     K    28_A     K    28_A    114  118  123     66  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     L    29_A     L    29_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     A    30_A     A    30_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     N    31_A     N    31_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     F    32_A     F    32_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     T    33_A     T    33_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     I    34_A     I    34_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     N    35_A     N    35_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     H    36_A     H    36_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     L    37_A     L    37_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     L    38_A     L    38_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     E    39_A     E    39_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     K    40_A     K    40_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     I    41_A     I    41_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     E    42_A     E    42_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     D    43_A     D    43_A    114  118  123     36  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     Y    44_A     Y    44_A    114  118  123     70  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     G    45_A     G    45_A    114  118  123     68  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     D    46_A     D    46_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     N    47_A     N    47_A    114  118  123     55  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     V    48_A     V    48_A    114  118  123     16  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     Q    49_A     Q    49_A    114  118  123     33  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     I    50_A     I    50_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     D    51_A     D    51_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     G    52_A     G    52_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     F    53_A     F    53_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     D    54_A     D    54_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     I    55_A     I    55_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     D    56_A     D    56_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     Y    57_A     Y    57_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     G    58_A     G    58_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     N    59_A     N    59_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     E    60_A     E    60_A    114  118  123     72  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     V    61_A     V    61_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     L    62_A     L    62_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     T    63_A     T    63_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     L    64_A     L    64_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     K    65_A     K    65_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     L    66_A     L    66_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     G    67_A     G    67_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     S    68_A     S    68_A    114  118  123     57  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     L    69_A     L    69_A    114  118  123     46  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     G    70_A     G    70_A    114  118  123     57  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     T    71_A     T    71_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     Y    72_A     Y    72_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     V    73_A     V    73_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     L    74_A     L    74_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     N    75_A     N    75_A    114  118  123     72  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     K    76_A     K    76_A    114  118  123     73  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     Q    77_A     Q    77_A    114  118  123     64  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     T    78_A     T    78_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     P    79_A     P    79_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     N    80_A     N    80_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     R    81_A     R    81_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     Q    82_A     Q    82_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     I    83_A     I    83_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     W    84_A     W    84_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     M    85_A     M    85_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     S    86_A     S    86_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     S    87_A     S    87_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     P    88_A     P    88_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     V    89_A     V    89_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     S    90_A     S    90_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     G    91_A     G    91_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     P    92_A     P    92_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     S    93_A     S    93_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     R    94_A     R    94_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     F    95_A     F    95_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     D    96_A     D    96_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     W    97_A     W    97_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     D    98_A     D    98_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     R    99_A     R    99_A    114  118  123     31  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     D   100_A     D   100_A    114  118  123     72  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     A   101_A     A   101_A    114  118  123     63  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     N   102_A     N   102_A    114  118  123     72  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     A   103_A     A   103_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     W   104_A     W   104_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     I   105_A     I   105_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     Y   106_A     Y   106_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     R   107_A     R   107_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     R   108_A     R   108_A    114  118  123     70  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     T   109_A     T   109_A    114  118  123     60  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     E   110_A     E   110_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     A   111_A     A   111_A    114  118  123     73  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     K   112_A     K   112_A    114  118  123     73  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     L   113_A     L   113_A    114  118  123     71  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     H   114_A     H   114_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     K   115_A     K   115_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     L   116_A     L   116_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     L   117_A     L   117_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     E   118_A     E   118_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     E   119_A     E   119_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     E   120_A     E   120_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     L   121_A     L   121_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     E   122_A     E   122_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     N   123_A     N   123_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     L   124_A     L   124_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     C   125_A     C   125_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     G   126_A     G   126_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     E   127_A     E   127_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     P   128_A     P   128_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     I   129_A     I   129_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     Q   130_A     Q   130_A    114  118  123     75  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     L   131_A     L   131_A    114  118  123     73  110  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_GDT     S   132_A     S   132_A    114  118  123     29  109  112  112  113  113  114  114  115  116  116  116  117  117  118  118  118  119  119  119 
LCS_AVERAGE  LCS_A:  92.83  (  86.15   92.33  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     75    110    112    112    113    113    114    114    115    116    116    116    117    117    118    118    118    119    119    119 
GDT PERCENT_AT  60.98  89.43  91.06  91.06  91.87  91.87  92.68  92.68  93.50  94.31  94.31  94.31  95.12  95.12  95.93  95.93  95.93  96.75  96.75  96.75
GDT RMS_LOCAL    0.37   0.50   0.52   0.52   0.61   0.59   0.67   0.67   1.18   1.21   1.21   1.21   1.56   1.41   1.71   1.71   1.71   2.15   2.15   2.15
GDT RMS_ALL_AT   4.71   4.68   4.67   4.67   4.65   4.69   4.66   4.66   4.54   4.56   4.56   4.56   4.48   4.55   4.48   4.48   4.48   4.40   4.40   4.40

# 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    26.186     0    0.414   0.989    34.242    0.000    0.000
LGA    S    11_A      S    11_A    23.137     0    0.559   0.565    24.023    0.000    0.000
LGA    S    12_A      S    12_A    21.453     0    0.184   0.625    21.929    0.000    0.000
LGA    G    13_A      G    13_A    19.616     0    0.427   0.427    20.439    0.000    0.000
LGA    L    14_A      L    14_A    15.326     3    0.218   0.227    17.069    0.000    0.000
LGA    V    15_A      V    15_A    11.380     0    0.025   0.076    14.191    0.119    0.068
LGA    P    16_A      P    16_A     8.121     0    0.206   0.315     8.699    6.190    6.667
LGA    R    17_A      R    17_A     7.836     6    0.681   0.632     8.403    5.952    2.597
LGA    G    18_A      G    18_A     8.134     0    0.016   0.016     8.134   11.310   11.310
LGA    S    19_A      S    19_A     2.938     0    0.489   0.412     3.965   59.762   57.698
LGA    H    20_A      H    20_A     3.377     5    0.531   0.489     5.959   55.476   24.333
LGA    M    21_A      M    21_A     1.506     0    0.067   0.225     1.931   75.000   81.607
LGA    Q    22_A      Q    22_A     1.220     0    0.069   1.124     4.459   85.952   73.968
LGA    E    23_A      E    23_A     0.532     0    0.069   0.132     0.825   95.238   92.593
LGA    E    24_A      E    24_A     0.527     4    0.024   0.022     0.757   92.857   51.323
LGA    E    25_A      E    25_A     0.472     0    0.068   0.107     0.716   97.619   94.709
LGA    F    26_A      F    26_A     0.065     0    0.065   0.084     0.375  100.000  100.000
LGA    H    27_A      H    27_A     0.537     0    0.058   0.077     0.849   92.857   91.429
LGA    K    28_A      K    28_A     0.747     0    0.027   0.832     3.682   90.476   77.989
LGA    L    29_A      L    29_A     0.486     0    0.011   1.390     3.044   97.619   82.619
LGA    A    30_A      A    30_A     0.296     0    0.009   0.021     0.483  100.000  100.000
LGA    N    31_A      N    31_A     0.540     0    0.036   0.160     0.721   90.476   91.667
LGA    F    32_A      F    32_A     0.431     0    0.038   0.289     1.331  100.000   90.649
LGA    T    33_A      T    33_A     0.529     0    0.033   0.057     0.744   95.238   93.197
LGA    I    34_A      I    34_A     0.516     0    0.037   0.075     0.617   92.857   92.857
LGA    N    35_A      N    35_A     0.510     0    0.021   0.883     3.999   95.238   77.738
LGA    H    36_A      H    36_A     0.437     0    0.010   0.081     0.561  100.000   96.190
LGA    L    37_A      L    37_A     0.397     0    0.023   0.077     0.441  100.000  100.000
LGA    L    38_A      L    38_A     0.283     0    0.116   0.125     0.525   97.619   98.810
LGA    E    39_A      E    39_A     0.354     0    0.049   0.280     2.016  100.000   88.836
LGA    K    40_A      K    40_A     0.491     0    0.033   0.619     2.374  100.000   90.952
LGA    I    41_A      I    41_A     0.332     0    0.055   0.139     0.480  100.000  100.000
LGA    E    42_A      E    42_A     0.369     0    0.096   0.626     2.390  100.000   87.989
LGA    D    43_A      D    43_A     0.764     0    0.020   0.137     1.370   90.476   87.083
LGA    Y    44_A      Y    44_A     0.674     0    0.017   0.145     0.815   90.476   92.063
LGA    G    45_A      G    45_A     0.684     0    0.098   0.098     0.692   90.476   90.476
LGA    D    46_A      D    46_A     0.438     0    0.034   0.109     0.643  100.000   96.429
LGA    N    47_A      N    47_A     0.578     0    0.020   0.371     1.048   92.857   91.726
LGA    V    48_A      V    48_A     0.788     0    0.085   0.906     3.189   90.476   78.639
LGA    Q    49_A      Q    49_A     1.025     0    0.139   0.803     3.082   88.214   73.598
LGA    I    50_A      I    50_A     0.391     0    0.052   0.083     0.617   97.619   96.429
LGA    D    51_A      D    51_A     0.231     0    0.065   0.820     3.412   97.619   81.905
LGA    G    52_A      G    52_A     0.371     0    0.017   0.017     0.608   95.238   95.238
LGA    F    53_A      F    53_A     0.498     0    0.034   0.067     0.577   95.238   94.805
LGA    D    54_A      D    54_A     0.319     0    0.092   0.210     0.744   97.619   97.619
LGA    I    55_A      I    55_A     0.085     0    0.056   0.076     0.250  100.000  100.000
LGA    D    56_A      D    56_A     0.448     0    0.090   0.305     1.434  100.000   91.845
LGA    Y    57_A      Y    57_A     0.393     0    0.180   0.273     1.400   95.357   91.429
LGA    G    58_A      G    58_A     0.350     0    0.032   0.032     0.567   97.619   97.619
LGA    N    59_A      N    59_A     0.327     0    0.022   0.893     2.188  100.000   92.202
LGA    E    60_A      E    60_A     0.475     0    0.035   0.153     0.898   97.619   93.651
LGA    V    61_A      V    61_A     0.246     0    0.088   1.130     2.470  100.000   89.932
LGA    L    62_A      L    62_A     0.302     0    0.034   0.103     0.408  100.000  100.000
LGA    T    63_A      T    63_A     0.327     0    0.029   0.176     1.002  100.000   97.347
LGA    L    64_A      L    64_A     0.362     0    0.033   0.063     0.427  100.000  100.000
LGA    K    65_A      K    65_A     0.505     0    0.072   0.987     4.187   92.857   82.751
LGA    L    66_A      L    66_A     0.290     0    0.043   0.169     0.402  100.000  100.000
LGA    G    67_A      G    67_A     0.423     0    0.069   0.069     0.606   95.238   95.238
LGA    S    68_A      S    68_A     0.859     0    0.058   0.588     3.027   90.476   83.730
LGA    L    69_A      L    69_A     0.928     0    0.019   0.084     1.146   88.214   89.345
LGA    G    70_A      G    70_A     0.758     0    0.047   0.047     0.853   92.857   92.857
LGA    T    71_A      T    71_A     0.487     0    0.009   0.045     0.574   97.619   97.279
LGA    Y    72_A      Y    72_A     0.320     0    0.018   0.140     0.601  100.000   99.206
LGA    V    73_A      V    73_A     0.179     0    0.043   0.050     0.205  100.000  100.000
LGA    L    74_A      L    74_A     0.426     0    0.042   0.186     0.686   97.619   95.238
LGA    N    75_A      N    75_A     0.522     0    0.048   0.880     2.049   92.857   87.440
LGA    K    76_A      K    76_A     0.435     0    0.012   0.384     1.397  100.000   96.878
LGA    Q    77_A      Q    77_A     0.551     0    0.057   1.088     3.929   95.238   83.386
LGA    T    78_A      T    78_A     0.335     0    0.057   0.081     0.476  100.000  100.000
LGA    P    79_A      P    79_A     0.353     0    0.020   0.039     0.447  100.000  100.000
LGA    N    80_A      N    80_A     0.405     0    0.039   0.314     0.883  100.000   97.619
LGA    R    81_A      R    81_A     0.408     0    0.014   1.081     3.418  100.000   79.784
LGA    Q    82_A      Q    82_A     0.345     0    0.025   0.172     0.478  100.000  100.000
LGA    I    83_A      I    83_A     0.373     0    0.012   0.062     0.420  100.000  100.000
LGA    W    84_A      W    84_A     0.309     0    0.020   0.070     0.439  100.000  100.000
LGA    M    85_A      M    85_A     0.315     0    0.031   0.220     1.030  100.000   97.679
LGA    S    86_A      S    86_A     0.101     0    0.057   0.070     0.250  100.000  100.000
LGA    S    87_A      S    87_A     0.476     0    0.016   0.028     0.605   97.619   98.413
LGA    P    88_A      P    88_A     0.287     0    0.016   0.071     0.371  100.000  100.000
LGA    V    89_A      V    89_A     0.184     0    0.069   0.146     0.336  100.000  100.000
LGA    S    90_A      S    90_A     0.404     0    0.051   0.089     0.448  100.000  100.000
LGA    G    91_A      G    91_A     0.145     0    0.055   0.055     0.310  100.000  100.000
LGA    P    92_A      P    92_A     0.432     0    0.089   0.100     0.883   97.619   94.558
LGA    S    93_A      S    93_A     0.369     0    0.027   0.029     0.378  100.000  100.000
LGA    R    94_A      R    94_A     0.327     0    0.107   0.324     1.643   97.619   92.338
LGA    F    95_A      F    95_A     0.299     0    0.030   0.074     0.387  100.000  100.000
LGA    D    96_A      D    96_A     0.480     0    0.040   0.146     0.561   95.238   95.238
LGA    W    97_A      W    97_A     0.507     0    0.027   0.087     0.799   95.238   92.517
LGA    D    98_A      D    98_A     0.495     0    0.020   0.066     0.824   92.857   95.238
LGA    R    99_A      R    99_A     0.849     0    0.040   0.199     1.420   88.214   84.719
LGA    D   100_A      D   100_A     0.500     0    0.057   0.214     1.035   90.476   90.536
LGA    A   101_A      A   101_A     0.621     0    0.069   0.066     0.995   90.476   90.476
LGA    N   102_A      N   102_A     0.492     0    0.022   1.344     4.315   97.619   77.321
LGA    A   103_A      A   103_A     0.488     0    0.083   0.104     0.598   97.619   96.190
LGA    W   104_A      W   104_A     0.408     0    0.064   0.135     0.619   97.619   95.238
LGA    I   105_A      I   105_A     0.254     0    0.042   0.054     0.339  100.000  100.000
LGA    Y   106_A      Y   106_A     0.280     0    0.037   0.097     0.710  100.000   98.413
LGA    R   107_A      R   107_A     0.604     0    0.027   0.808     4.917   92.857   76.840
LGA    R   108_A      R   108_A     0.732     0    0.014   1.065     4.849   90.476   68.745
LGA    T   109_A      T   109_A     0.794     0    0.066   0.086     1.000   88.214   89.184
LGA    E   110_A      E   110_A     0.537     0    0.066   0.364     1.624   90.476   88.519
LGA    A   111_A      A   111_A     0.611     0    0.015   0.026     0.719   92.857   92.381
LGA    K   112_A      K   112_A     0.593     0    0.044   0.176     1.181   92.857   89.524
LGA    L   113_A      L   113_A     0.628     0    0.038   0.043     0.703   92.857   91.667
LGA    H   114_A      H   114_A     0.324     0    0.084   1.390     5.778   97.619   67.238
LGA    K   115_A      K   115_A     0.512     0    0.062   0.895     5.057   92.857   78.677
LGA    L   116_A      L   116_A     0.528     0    0.008   0.064     0.864   92.857   92.857
LGA    L   117_A      L   117_A     0.460     0    0.041   1.331     2.872   95.238   84.345
LGA    E   118_A      E   118_A     0.523     0    0.059   0.216     0.939   92.857   93.651
LGA    E   119_A      E   119_A     0.426     0    0.016   1.245     5.264   97.619   76.614
LGA    E   120_A      E   120_A     0.523     0    0.011   0.200     0.839   92.857   95.767
LGA    L   121_A      L   121_A     0.494     0    0.068   0.071     0.528   97.619   96.429
LGA    E   122_A      E   122_A     0.551     0    0.059   0.225     0.968   90.476   91.534
LGA    N   123_A      N   123_A     0.493     0    0.025   0.295     1.110   97.619   95.298
LGA    L   124_A      L   124_A     0.326     0    0.016   0.095     0.390  100.000  100.000
LGA    C   125_A      C   125_A     0.470     0    0.046   0.061     0.543  100.000   96.825
LGA    G   126_A      G   126_A     0.333     0    0.051   0.051     0.380  100.000  100.000
LGA    E   127_A      E   127_A     0.453     0    0.031   0.387     1.212  100.000   93.704
LGA    P   128_A      P   128_A     0.437     0    0.068   0.087     0.543   97.619   95.918
LGA    I   129_A      I   129_A     0.543     0    0.032   0.044     0.651   92.857   91.667
LGA    Q   130_A      Q   130_A     0.577     0    0.058   0.784     3.214   92.857   86.032
LGA    L   131_A      L   131_A     0.599     0    0.019   0.082     0.766   90.476   92.857
LGA    S   132_A      S   132_A     1.021     0    0.515   0.517     1.821   83.810   80.159

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     980    980  100.00               123
SUMMARY(RMSD_GDC):     4.186          4.091                  4.182           88.470   84.341

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    114    0.67    92.276    92.595    14.848

LGA_LOCAL      RMSD:   0.668  Number of atoms:  114  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.663  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   4.186  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.317229 * X  +   0.810020 * Y  +  -0.493187 * Z  +  -6.175217
  Y_new =  -0.947565 * X  +   0.291867 * Y  +  -0.130127 * Z  + -27.934906
  Z_new =   0.038540 * X  +   0.508607 * Y  +   0.860136 * Z  +   7.408853 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.247741 -0.038549  0.534005   [DEG:  -71.4903   -2.2087   30.5962 ]
ZXZ: -1.312826  0.535260  0.075630   [DEG:  -75.2194   30.6681    4.3333 ]
 
# END of job
