
#######################################################
#                                                     #
#                        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  126 (  983),  selected  126 , name one
# Molecule2: number of CA atoms  126 (  983),  selected  126 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       1_B - 126_B       3.70     3.70
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       1_B - 102_B       1.46     3.90
  LONGEST_CONTINUOUS_SEGMENT:   102       2_B - 103_B       2.00     3.83
  LCS_AVERAGE:     68.10

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       1_B - 100_B       0.77     4.00
  LONGEST_CONTINUOUS_SEGMENT:   100       2_B - 101_B       0.98     3.95
  LCS_AVERAGE:     65.26

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     E     1_B     E     1_B    100  102  126      5   22   97  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     V     2_B     V     2_B    100  102  126      7   68  109  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     Q     3_B     Q     3_B    100  102  126     67  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     L     4_B     L     4_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     Q     5_B     Q     5_B    100  102  126     53  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     E     6_B     E     6_B    100  102  126     51  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     S     7_B     S     7_B    100  102  126     58  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     G     8_B     G     8_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     G     9_B     G     9_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     G    10_B     G    10_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     L    11_B     L    11_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     V    12_B     V    12_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     Q    13_B     Q    13_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     P    14_B     P    14_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     G    15_B     G    15_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     G    16_B     G    16_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     S    17_B     S    17_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     L    18_B     L    18_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     R    19_B     R    19_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     L    20_B     L    20_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     S    21_B     S    21_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     C    22_B     C    22_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     A    23_B     A    23_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     A    24_B     A    24_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     S    25_B     S    25_B    100  102  126     31  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     G    26_B     G    26_B    100  102  126     13  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     F    27_B     F    27_B    100  102  126     22  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     R    28_B     R    28_B    100  102  126     79  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     F    29_B     F    29_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     S    30_B     S    30_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     S    31_B     S    31_B    100  102  126     42  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     Y    32_B     Y    32_B    100  102  126     69  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     W    33_B     W    33_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     M    34_B     M    34_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     Y    35_B     Y    35_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     W    36_B     W    36_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     V    37_B     V    37_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     R    38_B     R    38_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     Q    39_B     Q    39_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     A    40_B     A    40_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     P    41_B     P    41_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     G    42_B     G    42_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     K    43_B     K    43_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     G    44_B     G    44_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     L    45_B     L    45_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     E    46_B     E    46_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     W    47_B     W    47_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     V    48_B     V    48_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     S    49_B     S    49_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     A    50_B     A    50_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     I    51_B     I    51_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     N    52_B     N    52_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     S    53_B     S    53_B    100  102  126     16  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     S    54_B     S    54_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     G    55_B     G    55_B    100  102  126     16  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     G    56_B     G    56_B    100  102  126     10   81  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     Y    57_B     Y    57_B    100  102  126     80  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     T    58_B     T    58_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     R    59_B     R    59_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     Y    60_B     Y    60_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     A    61_B     A    61_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     D    62_B     D    62_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     S    63_B     S    63_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     V    64_B     V    64_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     K    65_B     K    65_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     G    66_B     G    66_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     R    67_B     R    67_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     F    68_B     F    68_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     T    69_B     T    69_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     I    70_B     I    70_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     S    71_B     S    71_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     R    72_B     R    72_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     D    73_B     D    73_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     N    74_B     N    74_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     A    75_B     A    75_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     K    76_B     K    76_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     N    77_B     N    77_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     T    78_B     T    78_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     L    79_B     L    79_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     Y    80_B     Y    80_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     L    81_B     L    81_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     Q    82_B     Q    82_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     M    83_B     M    83_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     N    84_B     N    84_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     S    85_B     S    85_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     L    86_B     L    86_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     R    87_B     R    87_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     A    88_B     A    88_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     E    89_B     E    89_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     D    90_B     D    90_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     T    91_B     T    91_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     A    92_B     A    92_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     V    93_B     V    93_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     Y    94_B     Y    94_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     Y    95_B     Y    95_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     C    96_B     C    96_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     A    97_B     A    97_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     T    98_B     T    98_B    100  102  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     D    99_B     D    99_B    100  102  126      3   39  102  111  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     S   100_B     S   100_B    100  102  126      3    6    8   77   84  112  114  115  115  115  116  116  117  118  119  120  121  122  123  124 
LCS_GDT     G   101_B     G   101_B    100  102  126      3    6    8   10   22   85  107  113  114  115  116  116  116  117  119  120  121  122  123  124 
LCS_GDT     D   102_B     D   102_B      3  102  126      3    4    6    8   10   16   55   85  101  111  114  115  116  117  119  120  121  122  123  124 
LCS_GDT     G   103_B     G   103_B      3  102  126      3    4    6    8   10   12   12   12   16   18   27   70  103  112  115  118  121  122  123  124 
LCS_GDT     K   104_B     K   104_B      3    7  126      3    3    3    4    5    7   10   13   21   26   29   31   32   39   44   74  101  122  123  124 
LCS_GDT     R   105_B     R   105_B      3    6  126      3    3    3    5    6    8   10   13   16   18   21   31   36   52   98  115  121  122  123  124 
LCS_GDT     Y   106_B     Y   106_B      4    6  126      3    3    4    5    6    8   10   13   16   18   21   26   38   73  103  115  121  122  123  124 
LCS_GDT     W   107_B     W   107_B      4    6  126      3    3    4    5    6    8   10   13   16   26   37   78   95  116  118  120  121  122  123  124 
LCS_GDT     S   108_B     S   108_B      4    8  126      3    3    4    5    6    8   10   17   48   57   84  107  113  117  119  120  121  122  123  124 
LCS_GDT     G   109_B     G   109_B      4    8  126      3    3    4    5    7   21   29   48   79  100  115  117  117  118  119  120  121  122  123  124 
LCS_GDT     E   110_B     E   110_B      4    8  126      3    4    4    6    9   15   24   42   73   97  115  117  117  118  118  119  121  121  122  123 
LCS_GDT     Y   111_B     Y   111_B      4   16  126      3    4    4    6   19   39   76   96  114  115  116  117  117  118  118  119  121  121  122  123 
LCS_GDT     F   112_B     F   112_B     15   16  126      5   80  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  121  123  124 
LCS_GDT     Y   113_B     Y   113_B     15   16  126     71  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     R   114_B     R   114_B     15   16  126     75  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     S   115_B     S   115_B     15   16  126     17  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     R   116_B     R   116_B     15   16  126     78  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     G   117_B     G   117_B     15   16  126     20  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     Q   118_B     Q   118_B     15   16  126     27  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     G   119_B     G   119_B     15   16  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     T   120_B     T   120_B     15   16  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     L   121_B     L   121_B     15   16  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     V   122_B     V   122_B     15   16  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     T   123_B     T   123_B     15   16  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     V   124_B     V   124_B     15   16  126     83  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     S   125_B     S   125_B     15   16  126     40  105  110  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_GDT     S   126_B     S   126_B     15   16  126      5   28  108  113  114  114  114  115  115  115  116  117  117  118  119  120  121  122  123  124 
LCS_AVERAGE  LCS_A:  77.79  (  65.26   68.10  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     83    105    110    113    114    114    114    115    115    115    116    117    117    118    119    120    121    122    123    124 
GDT PERCENT_AT  65.87  83.33  87.30  89.68  90.48  90.48  90.48  91.27  91.27  91.27  92.06  92.86  92.86  93.65  94.44  95.24  96.03  96.83  97.62  98.41
GDT RMS_LOCAL    0.27   0.44   0.53   0.65   0.68   0.68   0.68   0.80   0.80   0.80   1.03   1.48   1.31   1.54   1.93   2.25   2.18   3.26   3.27   3.56
GDT RMS_ALL_AT   3.96   3.98   4.00   4.02   4.01   4.01   4.01   4.01   4.01   4.01   3.98   4.00   4.02   3.99   3.85   3.80   3.86   3.70   3.70   3.70

# Checking swapping
#   possible swapping detected:  E     1_B      E     1_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  D   102_B      D   102_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  F   112_B      F   112_B
#   possible swapping detected:  Y   113_B      Y   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     2.912     0    0.145   0.788     3.682   57.500   58.995
LGA    V     2_B      V     2_B     2.224     0    0.028   0.157     3.072   70.952   66.190
LGA    Q     3_B      Q     3_B     0.724     0    0.125   0.733     3.740   92.976   73.439
LGA    L     4_B      L     4_B     0.359     0    0.123   0.478     1.432   97.619   94.167
LGA    Q     5_B      Q     5_B     0.622     0    0.078   1.019     3.051   90.476   84.974
LGA    E     6_B      E     6_B     0.628     0    0.024   1.011     3.926   90.476   82.275
LGA    S     7_B      S     7_B     0.548     0    0.069   0.143     0.615   92.857   93.651
LGA    G     8_B      G     8_B     0.426     0    0.026   0.026     0.578   95.238   95.238
LGA    G     9_B      G     9_B     0.456     0    0.070   0.070     1.197   90.595   90.595
LGA    G    10_B      G    10_B     0.384     0    0.039   0.039     0.384  100.000  100.000
LGA    L    11_B      L    11_B     0.287     0    0.040   0.315     0.966   97.619   97.619
LGA    V    12_B      V    12_B     0.487     0    0.061   1.263     2.781   97.619   86.122
LGA    Q    13_B      Q    13_B     0.577     0    0.076   0.664     1.346   90.476   88.466
LGA    P    14_B      P    14_B     0.597     0    0.078   0.227     0.812   90.476   90.476
LGA    G    15_B      G    15_B     0.386     0    0.133   0.133     0.550   97.619   97.619
LGA    G    16_B      G    16_B     0.212     0    0.022   0.022     0.212  100.000  100.000
LGA    S    17_B      S    17_B     0.247     0    0.055   0.713     2.526  100.000   92.857
LGA    L    18_B      L    18_B     0.252     0    0.021   0.957     2.380  100.000   91.190
LGA    R    19_B      R    19_B     0.255     0    0.110   0.864     3.112   97.619   88.788
LGA    L    20_B      L    20_B     0.179     0    0.067   1.238     2.622  100.000   89.048
LGA    S    21_B      S    21_B     0.520     0    0.039   0.234     0.675   95.238   93.651
LGA    C    22_B      C    22_B     0.609     0    0.065   0.179     0.824   90.476   90.476
LGA    A    23_B      A    23_B     0.509     0    0.044   0.055     0.811   97.619   96.190
LGA    A    24_B      A    24_B     0.117     0    0.044   0.085     0.441  100.000  100.000
LGA    S    25_B      S    25_B     0.897     0    0.035   0.637     2.114   90.476   86.190
LGA    G    26_B      G    26_B     1.335     0    0.055   0.055     1.423   81.429   81.429
LGA    F    27_B      F    27_B     1.220     0    0.032   0.274     1.283   85.952   85.541
LGA    R    28_B      R    28_B     0.542     0    0.089   1.252     4.089   92.857   77.576
LGA    F    29_B      F    29_B     0.396     0    0.040   0.207     1.078   97.619   93.983
LGA    S    30_B      S    30_B     0.697     0    0.061   0.640     2.806   90.595   83.492
LGA    S    31_B      S    31_B     1.017     0    0.095   0.122     1.803   88.214   83.095
LGA    Y    32_B      Y    32_B     0.637     0    0.023   0.173     2.129   95.238   82.540
LGA    W    33_B      W    33_B     0.186     0    0.053   0.863     4.950   97.619   66.463
LGA    M    34_B      M    34_B     0.445     0    0.063   0.902     3.192   97.619   92.560
LGA    Y    35_B      Y    35_B     0.460     0    0.050   1.069     7.041   97.619   64.802
LGA    W    36_B      W    36_B     0.463     0    0.064   0.085     0.867   97.619   93.197
LGA    V    37_B      V    37_B     0.445     0    0.093   1.032     2.572   97.619   87.483
LGA    R    38_B      R    38_B     0.411     0    0.036   0.167     0.957   95.238   94.805
LGA    Q    39_B      Q    39_B     0.297     0    0.026   0.659     1.850  100.000   88.889
LGA    A    40_B      A    40_B     0.373     0    0.040   0.040     0.516   95.238   96.190
LGA    P    41_B      P    41_B     0.718     0    0.067   0.137     0.730   90.476   91.837
LGA    G    42_B      G    42_B     0.671     0    0.142   0.142     1.137   88.214   88.214
LGA    K    43_B      K    43_B     0.437     0    0.016   0.710     3.298  100.000   86.508
LGA    G    44_B      G    44_B     0.322     0    0.078   0.078     0.421  100.000  100.000
LGA    L    45_B      L    45_B     0.172     0    0.083   1.155     2.725  100.000   87.917
LGA    E    46_B      E    46_B     0.552     0    0.016   0.394     3.291   95.238   79.418
LGA    W    47_B      W    47_B     0.300     0    0.028   0.294     1.597  100.000   89.388
LGA    V    48_B      V    48_B     0.177     0    0.025   0.093     0.365  100.000  100.000
LGA    S    49_B      S    49_B     0.206     0    0.043   0.463     1.601  100.000   95.476
LGA    A    50_B      A    50_B     0.204     0    0.029   0.045     0.419  100.000  100.000
LGA    I    51_B      I    51_B     0.352     0    0.030   0.108     0.413  100.000  100.000
LGA    N    52_B      N    52_B     0.407     0    0.034   1.170     4.104   97.619   81.190
LGA    S    53_B      S    53_B     0.651     0    0.025   0.489     1.487   90.476   88.968
LGA    S    54_B      S    54_B     0.310     0    0.058   0.615     1.546  100.000   93.889
LGA    G    55_B      G    55_B     0.786     0    0.725   0.725     3.124   80.357   80.357
LGA    G    56_B      G    56_B     1.372     0    0.187   0.187     1.481   83.690   83.690
LGA    Y    57_B      Y    57_B     0.829     0    0.230   1.466     9.303   92.857   52.222
LGA    T    58_B      T    58_B     0.191     0    0.055   0.084     0.535  100.000   98.639
LGA    R    59_B      R    59_B     0.263     0    0.035   0.359     1.675  100.000   92.511
LGA    Y    60_B      Y    60_B     0.213     0    0.060   0.240     0.627  100.000   98.413
LGA    A    61_B      A    61_B     0.403     0    0.112   0.120     0.562  100.000   98.095
LGA    D    62_B      D    62_B     0.475     0    0.038   0.204     1.550   97.619   90.714
LGA    S    63_B      S    63_B     0.245     0    0.043   0.648     2.354  100.000   94.127
LGA    V    64_B      V    64_B     0.244     0    0.077   0.076     0.677   97.619   98.639
LGA    K    65_B      K    65_B     0.345     0    0.044   0.908     5.888  100.000   75.608
LGA    G    66_B      G    66_B     0.246     0    0.138   0.138     0.908   97.619   97.619
LGA    R    67_B      R    67_B     0.227     0    0.067   0.276     1.135  100.000   93.983
LGA    F    68_B      F    68_B     0.170     0    0.100   0.406     0.987   97.619   95.671
LGA    T    69_B      T    69_B     0.115     0    0.115   0.134     0.692   97.619   97.279
LGA    I    70_B      I    70_B     0.056     0    0.031   0.110     0.396  100.000  100.000
LGA    S    71_B      S    71_B     0.133     0    0.049   0.084     0.315  100.000  100.000
LGA    R    72_B      R    72_B     0.218     0    0.023   1.045     2.905  100.000   90.216
LGA    D    73_B      D    73_B     0.090     0    0.040   0.463     1.263  100.000   96.488
LGA    N    74_B      N    74_B     0.110     0    0.050   0.537     1.449  100.000   96.488
LGA    A    75_B      A    75_B     0.236     0    0.023   0.030     0.354  100.000  100.000
LGA    K    76_B      K    76_B     0.187     0    0.109   0.849     2.712  100.000   88.360
LGA    N    77_B      N    77_B     0.370     0    0.037   0.876     2.008   97.619   89.821
LGA    T    78_B      T    78_B     0.555     0    0.053   0.895     2.209   97.619   88.367
LGA    L    79_B      L    79_B     0.185     0    0.031   0.056     0.275  100.000  100.000
LGA    Y    80_B      Y    80_B     0.404     0    0.050   0.247     0.917  100.000   95.238
LGA    L    81_B      L    81_B     0.347     0    0.031   0.229     0.806  100.000   97.619
LGA    Q    82_B      Q    82_B     0.391     0    0.053   1.070     2.647   97.619   91.164
LGA    M    83_B      M    83_B     0.360     0    0.037   0.803     2.501  100.000   93.452
LGA    N    84_B      N    84_B     0.365     0    0.059   1.113     2.449  100.000   90.000
LGA    S    85_B      S    85_B     0.653     0    0.095   0.115     1.068   88.214   90.556
LGA    L    86_B      L    86_B     0.347     0    0.073   0.233     0.863   97.619   96.429
LGA    R    87_B      R    87_B     0.207     0    0.046   0.244     1.221  100.000   94.026
LGA    A    88_B      A    88_B     0.163     0    0.067   0.082     0.363  100.000  100.000
LGA    E    89_B      E    89_B     0.351     0    0.068   0.410     1.200  100.000   93.757
LGA    D    90_B      D    90_B     0.210     0    0.090   0.102     0.610   97.619   98.810
LGA    T    91_B      T    91_B     0.161     0    0.026   0.078     0.282  100.000  100.000
LGA    A    92_B      A    92_B     0.269     0    0.039   0.058     0.381  100.000  100.000
LGA    V    93_B      V    93_B     0.275     0    0.066   0.227     0.784   97.619   97.279
LGA    Y    94_B      Y    94_B     0.306     0    0.117   0.132     0.605   97.619   99.206
LGA    Y    95_B      Y    95_B     0.540     0    0.039   0.242     0.717   92.857   95.238
LGA    C    96_B      C    96_B     0.203     0    0.044   0.188     0.749  100.000   98.413
LGA    A    97_B      A    97_B     0.122     0    0.056   0.077     0.346  100.000  100.000
LGA    T    98_B      T    98_B     0.334     0    0.024   1.036     2.384   92.976   84.558
LGA    D    99_B      D    99_B     2.252     0    0.456   0.453     4.220   70.952   58.095
LGA    S   100_B      S   100_B     4.478     0    0.695   0.827     8.911   34.524   25.714
LGA    G   101_B      G   101_B     7.170     0    0.185   0.185     9.125    7.857    7.857
LGA    D   102_B      D   102_B    11.113     0    0.371   1.112    14.626    0.357    0.179
LGA    G   103_B      G   103_B    15.352     0    0.675   0.675    16.568    0.000    0.000
LGA    K   104_B      K   104_B    18.970     0    0.572   1.373    22.385    0.000    0.000
LGA    R   105_B      R   105_B    18.192     0    0.218   1.392    18.289    0.000    0.000
LGA    Y   106_B      Y   106_B    17.653     0    0.331   1.193    27.606    0.000    0.000
LGA    W   107_B      W   107_B    13.777     0    0.554   1.269    18.195    0.000    0.000
LGA    S   108_B      S   108_B    11.590     0    0.400   0.364    12.135    0.000    0.000
LGA    G   109_B      G   109_B     9.179     0    0.137   0.137     9.806    1.905    1.905
LGA    E   110_B      E   110_B     9.140     0    0.048   0.423    12.216    5.000    2.222
LGA    Y   111_B      Y   111_B     6.934     0    0.202   1.220    17.529   20.833    7.183
LGA    F   112_B      F   112_B     2.036     0    0.183   0.302     4.047   61.429   52.468
LGA    Y   113_B      Y   113_B     0.634     0    0.208   1.443     8.428   81.786   56.230
LGA    R   114_B      R   114_B     0.609     0    0.053   1.053     8.588   90.476   57.056
LGA    S   115_B      S   115_B     1.004     0    0.040   0.691     2.858   88.214   81.905
LGA    R   116_B      R   116_B     0.503     0    0.090   1.056     5.441   88.214   68.745
LGA    G   117_B      G   117_B     0.966     0    0.119   0.119     0.966   90.476   90.476
LGA    Q   118_B      Q   118_B     0.664     0    0.015   0.557     2.535   92.857   84.974
LGA    G   119_B      G   119_B     0.429     0    0.071   0.071     0.645   95.238   95.238
LGA    T   120_B      T   120_B     0.471     0    0.021   0.144     0.549  100.000   98.639
LGA    L   121_B      L   121_B     0.539     0    0.073   0.882     2.154   92.857   86.250
LGA    V   122_B      V   122_B     0.208     0    0.021   0.145     0.454  100.000  100.000
LGA    T   123_B      T   123_B     0.265     0    0.066   0.655     1.681  100.000   93.469
LGA    V   124_B      V   124_B     0.130     0    0.030   0.085     0.773   97.619   94.558
LGA    S   125_B      S   125_B     0.996     0    0.048   0.079     1.305   85.952   84.444
LGA    S   126_B      S   126_B     1.974     0    0.673   0.752     5.695   52.619   59.365

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00     983    983  100.00               126
SUMMARY(RMSD_GDC):     3.696          3.668                  4.647           86.174   80.977

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    115    0.80    89.881    84.773    12.767

LGA_LOCAL      RMSD:   0.801  Number of atoms:  115  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.011  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   3.696  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.873002 * X  +   0.462495 * Y  +   0.154811 * Z  + -22.898809
  Y_new =   0.139635 * X  +  -0.067115 * Y  +   0.987926 * Z  + -21.476774
  Z_new =   0.467301 * X  +   0.884078 * Y  +  -0.005989 * Z  + -81.171631 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.982988 -0.486235  1.577570   [DEG:  170.9126  -27.8592   90.3881 ]
ZXZ:  2.986153  1.576785  0.486245   [DEG:  171.0940   90.3431   27.8598 ]
 
# END of job
