
#######################################################
#                                                     #
#                        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       2.52     2.52
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   103       1_B - 103_B       1.69     2.54
  LCS_AVERAGE:     68.95

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.91     2.65
  LCS_AVERAGE:     65.90

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    101  103  126     66  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     V     2_B     V     2_B    101  103  126     36  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     Q     3_B     Q     3_B    101  103  126     65  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     L     4_B     L     4_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     Q     5_B     Q     5_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     E     6_B     E     6_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     S     7_B     S     7_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     G     8_B     G     8_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     G     9_B     G     9_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    10_B     G    10_B    101  103  126     71  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     L    11_B     L    11_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     V    12_B     V    12_B    101  103  126     60  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     Q    13_B     Q    13_B    101  103  126     29  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     P    14_B     P    14_B    101  103  126     31  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    15_B     G    15_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    16_B     G    16_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    17_B     S    17_B    101  103  126     71  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     L    18_B     L    18_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     R    19_B     R    19_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     L    20_B     L    20_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    21_B     S    21_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     C    22_B     C    22_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    23_B     A    23_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    24_B     A    24_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    25_B     S    25_B    101  103  126     70  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    26_B     G    26_B    101  103  126     48  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     F    27_B     F    27_B    101  103  126      9  102  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     R    28_B     R    28_B    101  103  126     39  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     F    29_B     F    29_B    101  103  126     49  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    30_B     S    30_B    101  103  126     45  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    31_B     S    31_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y    32_B     Y    32_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     W    33_B     W    33_B    101  103  126     64  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     M    34_B     M    34_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y    35_B     Y    35_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     W    36_B     W    36_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     V    37_B     V    37_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     R    38_B     R    38_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     Q    39_B     Q    39_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    40_B     A    40_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     P    41_B     P    41_B    101  103  126     36   99  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    42_B     G    42_B    101  103  126      8   99  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     K    43_B     K    43_B    101  103  126     68  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    44_B     G    44_B    101  103  126     71  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     L    45_B     L    45_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     E    46_B     E    46_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     W    47_B     W    47_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     V    48_B     V    48_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    49_B     S    49_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    50_B     A    50_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     I    51_B     I    51_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     N    52_B     N    52_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    53_B     S    53_B    101  103  126      4   95  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    54_B     S    54_B    101  103  126      3   15   58  105  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    55_B     G    55_B    101  103  126      3    4    5   16   54  106  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    56_B     G    56_B    101  103  126      7   63  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y    57_B     Y    57_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     T    58_B     T    58_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     R    59_B     R    59_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y    60_B     Y    60_B    101  103  126     69  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    61_B     A    61_B    101  103  126     68  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     D    62_B     D    62_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    63_B     S    63_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     V    64_B     V    64_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     K    65_B     K    65_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     G    66_B     G    66_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     R    67_B     R    67_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     F    68_B     F    68_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     T    69_B     T    69_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     I    70_B     I    70_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    71_B     S    71_B    101  103  126     68  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     R    72_B     R    72_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     D    73_B     D    73_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     N    74_B     N    74_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    75_B     A    75_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     K    76_B     K    76_B    101  103  126     72  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     N    77_B     N    77_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     T    78_B     T    78_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     L    79_B     L    79_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y    80_B     Y    80_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     L    81_B     L    81_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     Q    82_B     Q    82_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     M    83_B     M    83_B    101  103  126     71  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     N    84_B     N    84_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     S    85_B     S    85_B    101  103  126     58  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     L    86_B     L    86_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     R    87_B     R    87_B    101  103  126     73  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    88_B     A    88_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     E    89_B     E    89_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     D    90_B     D    90_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     T    91_B     T    91_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    92_B     A    92_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     V    93_B     V    93_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y    94_B     Y    94_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y    95_B     Y    95_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     C    96_B     C    96_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     A    97_B     A    97_B    101  103  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     T    98_B     T    98_B    101  103  126     31  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     D    99_B     D    99_B    101  103  126      4   85  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     S   100_B     S   100_B    101  103  126      4   68  107  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     G   101_B     G   101_B    101  103  126      8   24   73   97  111  114  115  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     D   102_B     D   102_B      4  103  126      3    4    7   11   13   21   32   93  110  116  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     G   103_B     G   103_B      4  103  126      3    5    8   11   16   22   32   46  107  114  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     K   104_B     K   104_B      4   14  126      3    4    5    7   16   22   32   42   73  109  118  122  124  124  124  124  124  126  126  126 
LCS_GDT     R   105_B     R   105_B      4    9  126      3    4    5   11   48   78   98  110  115  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y   106_B     Y   106_B      4    8  126      3    3    5    9   16   26   60   92  109  116  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     W   107_B     W   107_B      4    6  126      3    3    5    6    7   22   39   81  107  116  119  123  124  124  124  124  125  126  126  126 
LCS_GDT     S   108_B     S   108_B      4    6  126      3    4   23   44   83  107  115  116  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     G   109_B     G   109_B      3    6  126      3    4   49   82  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     E   110_B     E   110_B      3   17  126      3    4    5   35   48   64   79   95  114  119  119  119  120  120  120  123  125  126  126  126 
LCS_GDT     Y   111_B     Y   111_B      3   17  126      3    3    4    5   11   46  115  116  117  119  119  119  120  120  120  123  125  126  126  126 
LCS_GDT     F   112_B     F   112_B     15   17  126      7   98  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     Y   113_B     Y   113_B     15   17  126     64  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     R   114_B     R   114_B     15   17  126     59  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     S   115_B     S   115_B     15   17  126     71  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     R   116_B     R   116_B     15   17  126     42  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     G   117_B     G   117_B     15   17  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     Q   118_B     Q   118_B     15   17  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     G   119_B     G   119_B     15   17  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     T   120_B     T   120_B     15   17  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     L   121_B     L   121_B     15   17  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     V   122_B     V   122_B     15   17  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     T   123_B     T   123_B     15   17  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     V   124_B     V   124_B     15   17  126     74  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     S   125_B     S   125_B     15   17  126     24  103  110  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_GDT     S   126_B     S   126_B     15   17  126      2   63  108  113  113  115  116  117  118  119  120  123  124  124  124  124  125  126  126  126 
LCS_AVERAGE  LCS_A:  78.29  (  65.90   68.95  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     74    103    110    113    113    115    116    117    118    119    120    123    124    124    124    124    125    126    126    126 
GDT PERCENT_AT  58.73  81.75  87.30  89.68  89.68  91.27  92.06  92.86  93.65  94.44  95.24  97.62  98.41  98.41  98.41  98.41  99.21 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.49   0.58   0.66   0.66   0.79   0.86   0.95   1.07   1.33   1.59   2.14   2.34   2.34   2.34   2.34   2.32   2.52   2.52   2.52
GDT RMS_ALL_AT   2.69   2.69   2.67   2.67   2.67   2.68   2.69   2.66   2.64   2.59   2.56   2.52   2.53   2.53   2.53   2.53   2.53   2.52   2.52   2.52

# Checking swapping
#   possible swapping detected:  Y    35_B      Y    35_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  E   110_B      E   110_B
#   possible swapping detected:  Y   111_B      Y   111_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     0.732     0    0.282   1.129     7.246   84.048   59.683
LGA    V     2_B      V     2_B     1.020     0    0.018   0.177     1.836   90.595   84.218
LGA    Q     3_B      Q     3_B     0.717     0    0.103   0.627     2.506   90.476   84.762
LGA    L     4_B      L     4_B     0.241     0    0.078   1.326     3.037   97.619   88.155
LGA    Q     5_B      Q     5_B     0.143     0    0.051   1.287     5.199  100.000   79.206
LGA    E     6_B      E     6_B     0.166     0    0.002   0.137     0.570  100.000   98.942
LGA    S     7_B      S     7_B     0.247     0    0.073   0.714     2.372  100.000   94.127
LGA    G     8_B      G     8_B     0.342     0    0.029   0.029     0.428  100.000  100.000
LGA    G     9_B      G     9_B     0.329     0    0.055   0.055     0.903   95.238   95.238
LGA    G    10_B      G    10_B     0.545     0    0.058   0.058     0.688   92.857   92.857
LGA    L    11_B      L    11_B     0.460     0    0.024   0.799     2.048   92.857   88.631
LGA    V    12_B      V    12_B     0.607     0    0.044   0.276     1.148   92.857   90.544
LGA    Q    13_B      Q    13_B     0.916     0    0.075   0.679     1.534   90.476   88.571
LGA    P    14_B      P    14_B     0.973     0    0.063   0.144     1.070   90.476   87.891
LGA    G    15_B      G    15_B     0.597     0    0.131   0.131     0.687   95.238   95.238
LGA    G    16_B      G    16_B     0.543     0    0.021   0.021     0.565   95.238   95.238
LGA    S    17_B      S    17_B     0.542     0    0.092   0.684     2.502   90.476   84.921
LGA    L    18_B      L    18_B     0.307     0    0.041   1.355     2.685  100.000   85.774
LGA    R    19_B      R    19_B     0.288     0    0.118   0.210     1.471   97.619   92.338
LGA    L    20_B      L    20_B     0.161     0    0.061   1.185     2.773  100.000   89.048
LGA    S    21_B      S    21_B     0.381     0    0.040   0.215     0.771  100.000   98.413
LGA    C    22_B      C    22_B     0.484     0    0.045   0.123     0.675  100.000   96.825
LGA    A    23_B      A    23_B     0.328     0    0.058   0.065     0.372  100.000  100.000
LGA    A    24_B      A    24_B     0.369     0    0.063   0.109     0.551   97.619   96.190
LGA    S    25_B      S    25_B     0.638     0    0.042   0.141     0.806   95.238   93.651
LGA    G    26_B      G    26_B     0.850     0    0.046   0.046     1.601   83.810   83.810
LGA    F    27_B      F    27_B     1.199     0    0.033   0.378     1.443   83.690   85.541
LGA    R    28_B      R    28_B     0.882     0    0.143   1.369     7.110   90.595   59.610
LGA    F    29_B      F    29_B     0.722     0    0.055   0.263     1.231   95.238   92.294
LGA    S    30_B      S    30_B     0.895     0    0.031   0.585     2.087   88.214   83.175
LGA    S    31_B      S    31_B     0.821     0    0.092   0.593     1.264   90.476   87.460
LGA    Y    32_B      Y    32_B     0.594     0    0.096   0.492     2.484   92.857   83.929
LGA    W    33_B      W    33_B     0.829     0    0.033   1.285     6.167   90.476   66.224
LGA    M    34_B      M    34_B     0.575     0    0.044   0.912     3.710   95.238   86.964
LGA    Y    35_B      Y    35_B     0.489     0    0.061   1.174     7.639   95.238   59.960
LGA    W    36_B      W    36_B     0.461     0    0.065   0.135     0.517   97.619   98.639
LGA    V    37_B      V    37_B     0.541     0    0.071   1.035     3.000   90.476   82.041
LGA    R    38_B      R    38_B     0.590     0    0.053   0.194     0.802   90.476   90.476
LGA    Q    39_B      Q    39_B     0.228     0    0.025   0.612     1.920  100.000   95.926
LGA    A    40_B      A    40_B     0.488     0    0.042   0.042     0.584   95.238   94.286
LGA    P    41_B      P    41_B     1.278     0    0.099   0.146     1.965   85.952   81.565
LGA    G    42_B      G    42_B     1.385     0    0.083   0.083     1.608   79.286   79.286
LGA    K    43_B      K    43_B     0.635     0    0.045   0.781     2.458   92.857   83.862
LGA    G    44_B      G    44_B     0.382     0    0.079   0.079     0.538   97.619   97.619
LGA    L    45_B      L    45_B     0.348     0    0.062   1.037     3.488  100.000   82.917
LGA    E    46_B      E    46_B     0.241     0    0.023   0.756     2.571   95.238   83.175
LGA    W    47_B      W    47_B     0.486     0    0.064   0.202     0.598   95.238   95.918
LGA    V    48_B      V    48_B     0.446     0    0.034   0.095     0.563   97.619   95.918
LGA    S    49_B      S    49_B     0.329     0    0.043   0.272     1.143  100.000   96.905
LGA    A    50_B      A    50_B     0.499     0    0.038   0.039     0.661  100.000   98.095
LGA    I    51_B      I    51_B     0.409     0    0.025   0.086     0.595   92.857   96.429
LGA    N    52_B      N    52_B     0.575     0    0.146   1.036     4.564   92.857   72.560
LGA    S    53_B      S    53_B     1.363     0    0.165   0.497     5.597   86.071   69.286
LGA    S    54_B      S    54_B     3.258     0    0.073   0.640     5.701   49.405   42.698
LGA    G    55_B      G    55_B     3.850     0    0.312   0.312     3.850   51.905   51.905
LGA    G    56_B      G    56_B     1.636     0    0.096   0.096     2.500   75.476   75.476
LGA    Y    57_B      Y    57_B     0.544     0    0.138   0.423     1.632   92.976   87.619
LGA    T    58_B      T    58_B     0.447     0    0.032   1.013     2.423  100.000   89.728
LGA    R    59_B      R    59_B     0.271     0    0.062   1.227     2.617   97.619   84.632
LGA    Y    60_B      Y    60_B     0.471     0    0.054   0.164     0.655   95.238   97.619
LGA    A    61_B      A    61_B     0.569     0    0.094   0.117     0.602   90.476   90.476
LGA    D    62_B      D    62_B     0.282     0    0.044   0.371     1.619  100.000   94.226
LGA    S    63_B      S    63_B     0.289     0    0.049   0.077     0.450  100.000  100.000
LGA    V    64_B      V    64_B     0.248     0    0.078   0.086     0.659   97.619   98.639
LGA    K    65_B      K    65_B     0.204     0    0.032   0.902     2.652  100.000   82.646
LGA    G    66_B      G    66_B     0.209     0    0.149   0.149     0.645   97.619   97.619
LGA    R    67_B      R    67_B     0.226     0    0.058   0.135     0.980   97.619   93.939
LGA    F    68_B      F    68_B     0.491     0    0.078   0.432     1.475   97.619   94.026
LGA    T    69_B      T    69_B     0.522     0    0.165   0.168     1.150   88.214   90.544
LGA    I    70_B      I    70_B     0.098     0    0.033   0.169     0.720  100.000   98.810
LGA    S    71_B      S    71_B     0.606     0    0.039   0.648     1.688   97.619   92.302
LGA    R    72_B      R    72_B     0.359     0    0.027   1.531     4.262   97.619   79.351
LGA    D    73_B      D    73_B     0.394     0    0.053   0.297     1.679  100.000   94.226
LGA    N    74_B      N    74_B     0.221     0    0.074   0.552     1.877  100.000   93.095
LGA    A    75_B      A    75_B     0.372     0    0.024   0.032     0.630   97.619   98.095
LGA    K    76_B      K    76_B     0.465     0    0.140   1.067     5.048  100.000   78.254
LGA    N    77_B      N    77_B     0.183     0    0.046   0.359     1.606  100.000   95.417
LGA    T    78_B      T    78_B     0.500     0    0.056   0.101     1.162  100.000   94.626
LGA    L    79_B      L    79_B     0.132     0    0.040   0.086     0.487  100.000  100.000
LGA    Y    80_B      Y    80_B     0.345     0    0.040   0.271     1.277  100.000   95.317
LGA    L    81_B      L    81_B     0.308     0    0.022   0.225     0.850  100.000   97.619
LGA    Q    82_B      Q    82_B     0.403     0    0.038   0.224     0.570   97.619   97.884
LGA    M    83_B      M    83_B     0.503     0    0.058   0.591     1.514   97.619   93.036
LGA    N    84_B      N    84_B     0.335     0    0.073   0.375     1.476   95.238   92.917
LGA    S    85_B      S    85_B     0.834     0    0.047   0.081     1.115   88.214   87.460
LGA    L    86_B      L    86_B     0.493     0    0.047   0.265     0.926   92.857   94.048
LGA    R    87_B      R    87_B     0.691     0    0.049   0.566     3.266   95.238   74.026
LGA    A    88_B      A    88_B     0.393     0    0.085   0.101     0.627  100.000   98.095
LGA    E    89_B      E    89_B     0.520     0    0.111   0.765     2.292   92.857   84.709
LGA    D    90_B      D    90_B     0.406     0    0.088   0.114     0.639   97.619   94.048
LGA    T    91_B      T    91_B     0.321     0    0.026   0.083     0.455  100.000  100.000
LGA    A    92_B      A    92_B     0.419     0    0.033   0.056     0.420  100.000  100.000
LGA    V    93_B      V    93_B     0.459     0    0.058   0.221     0.844   97.619   95.918
LGA    Y    94_B      Y    94_B     0.467     0    0.110   0.111     0.876   95.238   98.413
LGA    Y    95_B      Y    95_B     0.591     0    0.037   0.241     0.832   97.619   92.857
LGA    C    96_B      C    96_B     0.614     0    0.037   0.592     1.173   92.857   90.556
LGA    A    97_B      A    97_B     0.360     0    0.054   0.063     0.455  100.000  100.000
LGA    T    98_B      T    98_B     0.857     0    0.031   0.103     1.213   90.476   89.184
LGA    D    99_B      D    99_B     1.459     0    0.442   0.466     3.762   67.738   72.440
LGA    S   100_B      S   100_B     2.267     0    0.706   0.750     6.038   49.524   55.952
LGA    G   101_B      G   101_B     4.343     0    0.169   0.169     8.669   25.000   25.000
LGA    D   102_B      D   102_B    10.150     0    0.693   1.272    15.952    1.786    0.893
LGA    G   103_B      G   103_B    11.470     0    0.048   0.048    11.962    0.000    0.000
LGA    K   104_B      K   104_B    12.831     0    0.625   1.221    16.282    0.000    0.000
LGA    R   105_B      R   105_B     8.977     0    0.056   1.005    11.036    0.952    4.459
LGA    Y   106_B      Y   106_B    10.708     0    0.040   1.142    22.180    4.167    1.389
LGA    W   107_B      W   107_B     8.863     0    0.609   1.067    13.537    3.810    1.735
LGA    S   108_B      S   108_B     5.555     0    0.099   0.706     6.497   34.762   29.603
LGA    G   109_B      G   109_B     3.341     0    0.654   0.654     6.496   38.571   38.571
LGA    E   110_B      E   110_B     6.589     0    0.070   1.038    13.787   17.143    8.148
LGA    Y   111_B      Y   111_B     6.135     0    0.633   1.437    16.736   25.476    9.167
LGA    F   112_B      F   112_B     1.447     0    0.544   1.503     7.318   75.119   48.571
LGA    Y   113_B      Y   113_B     0.626     0    0.210   1.319     9.874   86.071   53.056
LGA    R   114_B      R   114_B     0.663     0    0.043   1.163     8.474   92.857   58.788
LGA    S   115_B      S   115_B     0.343     0    0.022   0.675     2.509  100.000   91.270
LGA    R   116_B      R   116_B     0.783     0    0.067   1.074     4.286   95.238   74.935
LGA    G   117_B      G   117_B     0.327     0    0.085   0.085     0.454  100.000  100.000
LGA    Q   118_B      Q   118_B     0.123     0    0.019   1.424     5.667  100.000   72.169
LGA    G   119_B      G   119_B     0.566     0    0.057   0.057     0.926   92.857   92.857
LGA    T   120_B      T   120_B     0.540     0    0.025   0.132     0.675   95.238   93.197
LGA    L   121_B      L   121_B     0.312     0    0.053   0.279     1.236  100.000   94.107
LGA    V   122_B      V   122_B     0.276     0    0.031   0.173     0.661  100.000   98.639
LGA    T   123_B      T   123_B     0.170     0    0.102   0.526     1.449   97.619   93.333
LGA    V   124_B      V   124_B     0.363     0    0.009   0.070     0.838   95.238   95.918
LGA    S   125_B      S   125_B     1.197     0    0.145   0.665     2.118   88.214   84.683
LGA    S   126_B      S   126_B     1.878     0    0.315   0.508     4.167   69.286   60.714

# 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):     2.520          2.528                  3.614           86.481   80.762

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    117    0.95    90.675    86.098    11.127

LGA_LOCAL      RMSD:   0.952  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.659  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.520  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.750794 * X  +   0.347050 * Y  +   0.562018 * Z  + -41.106167
  Y_new =  -0.244698 * X  +  -0.644180 * Y  +   0.724676 * Z  + -21.157932
  Z_new =   0.613540 * X  +  -0.681607 * Y  +  -0.398724 * Z  + -131.469345 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.315062 -0.660536 -2.100096   [DEG:  -18.0517  -37.8459 -120.3267 ]
ZXZ:  2.481943  1.980922  2.408702   [DEG:  142.2048  113.4985  138.0084 ]
 
# END of job
