
#######################################################
#                                                     #
#                        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       2.47     2.47
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105       1_B - 105_B       1.88     2.48
  LCS_AVERAGE:     71.50

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       1_B - 102_B       0.78     2.52
  LCS_AVERAGE:     67.21

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    102  105  126     25  107  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     V     2_B     V     2_B    102  105  126     75  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     Q     3_B     Q     3_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     L     4_B     L     4_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     Q     5_B     Q     5_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     E     6_B     E     6_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     S     7_B     S     7_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     G     8_B     G     8_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     G     9_B     G     9_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     G    10_B     G    10_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     L    11_B     L    11_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     V    12_B     V    12_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     Q    13_B     Q    13_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     P    14_B     P    14_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     G    15_B     G    15_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     G    16_B     G    16_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     S    17_B     S    17_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     L    18_B     L    18_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     R    19_B     R    19_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     L    20_B     L    20_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     S    21_B     S    21_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     C    22_B     C    22_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     A    23_B     A    23_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     A    24_B     A    24_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     S    25_B     S    25_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     G    26_B     G    26_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     F    27_B     F    27_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     R    28_B     R    28_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     F    29_B     F    29_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     S    30_B     S    30_B    102  105  126     93  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     S    31_B     S    31_B    102  105  126     59  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     Y    32_B     Y    32_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     W    33_B     W    33_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     M    34_B     M    34_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     Y    35_B     Y    35_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     W    36_B     W    36_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     V    37_B     V    37_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     R    38_B     R    38_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     Q    39_B     Q    39_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     A    40_B     A    40_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     P    41_B     P    41_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     G    42_B     G    42_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     K    43_B     K    43_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     G    44_B     G    44_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     L    45_B     L    45_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     E    46_B     E    46_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     W    47_B     W    47_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     V    48_B     V    48_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     S    49_B     S    49_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     A    50_B     A    50_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     I    51_B     I    51_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     N    52_B     N    52_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     S    53_B     S    53_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     S    54_B     S    54_B    102  105  126     92  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     G    55_B     G    55_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     G    56_B     G    56_B    102  105  126     25  101  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     Y    57_B     Y    57_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     T    58_B     T    58_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     R    59_B     R    59_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     Y    60_B     Y    60_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     A    61_B     A    61_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     D    62_B     D    62_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     S    63_B     S    63_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     V    64_B     V    64_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     K    65_B     K    65_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     G    66_B     G    66_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     R    67_B     R    67_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     F    68_B     F    68_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     T    69_B     T    69_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     I    70_B     I    70_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     S    71_B     S    71_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     R    72_B     R    72_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     D    73_B     D    73_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     N    74_B     N    74_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     A    75_B     A    75_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     K    76_B     K    76_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     N    77_B     N    77_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     T    78_B     T    78_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     L    79_B     L    79_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     Y    80_B     Y    80_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     L    81_B     L    81_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     Q    82_B     Q    82_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     M    83_B     M    83_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     N    84_B     N    84_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     S    85_B     S    85_B    102  105  126     87  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     L    86_B     L    86_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     R    87_B     R    87_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     A    88_B     A    88_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     E    89_B     E    89_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     D    90_B     D    90_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     T    91_B     T    91_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     A    92_B     A    92_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     V    93_B     V    93_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     Y    94_B     Y    94_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     Y    95_B     Y    95_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     C    96_B     C    96_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     A    97_B     A    97_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     T    98_B     T    98_B    102  105  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     D    99_B     D    99_B    102  105  126     46  105  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     S   100_B     S   100_B    102  105  126      4    9   26  106  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     G   101_B     G   101_B    102  105  126      5   52  103  111  112  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     D   102_B     D   102_B    102  105  126      3    6   38   94  107  112  114  117  118  118  118  121  123  124  124  124  126  126  126  126 
LCS_GDT     G   103_B     G   103_B      5  105  126      3    5    7    8    9   17   19   33   57  112  118  121  123  124  124  124  126  126  126  126 
LCS_GDT     K   104_B     K   104_B      5  105  126      3    5    7    9   12   18   26   44  100  115  118  121  123  124  124  124  126  126  126  126 
LCS_GDT     R   105_B     R   105_B      5  105  126      3    5    7    9   12   18   30   60  104  115  118  121  123  124  124  124  126  126  126  126 
LCS_GDT     Y   106_B     Y   106_B      5   10  126      3    5    7    8   12   24   30   82  111  115  118  121  123  124  124  124  126  126  126  126 
LCS_GDT     W   107_B     W   107_B      5   10  126      3    5    7   12   16   74  101  110  115  116  118  121  123  124  124  124  126  126  126  126 
LCS_GDT     S   108_B     S   108_B      4   10  126      3    4    7    7    9    9   11   19   36  115  118  121  123  124  124  124  126  126  126  126 
LCS_GDT     G   109_B     G   109_B      4    8  126      3    7   52  106  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     E   110_B     E   110_B      4   17  126      3    4    5    6   21   41   69   96  118  118  119  119  120  120  121  121  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B      4   17  126      3    4    5    6   24   61  102  117  118  118  119  119  120  120  121  123  126  126  126  126 
LCS_GDT     F   112_B     F   112_B     15   17  126     10   20   76  113  114  115  117  117  118  118  119  120  123  124  124  124  126  126  126  126 
LCS_GDT     Y   113_B     Y   113_B     15   17  126      3    3   59  112  114  115  117  117  118  118  119  120  122  124  124  124  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     15   17  126      4   42   99  113  114  115  117  117  118  118  119  120  123  124  124  124  126  126  126  126 
LCS_GDT     S   115_B     S   115_B     15   17  126     75  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     R   116_B     R   116_B     15   17  126     21  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     15   17  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     Q   118_B     Q   118_B     15   17  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     G   119_B     G   119_B     15   17  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     T   120_B     T   120_B     15   17  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     L   121_B     L   121_B     15   17  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     V   122_B     V   122_B     15   17  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     T   123_B     T   123_B     15   17  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     V   124_B     V   124_B     15   17  126     96  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     S   125_B     S   125_B     15   17  126     52  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_GDT     S   126_B     S   126_B     15   17  126     53  108  111  113  114  115  117  117  118  118  119  121  123  124  124  124  126  126  126  126 
LCS_AVERAGE  LCS_A:  79.57  (  67.21   71.50  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     96    108    111    113    114    115    117    117    118    118    119    121    123    124    124    124    126    126    126    126 
GDT PERCENT_AT  76.19  85.71  88.10  89.68  90.48  91.27  92.86  92.86  93.65  93.65  94.44  96.03  97.62  98.41  98.41  98.41 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.37   0.43   0.54   0.61   0.67   0.79   0.79   0.93   0.93   1.23   2.16   2.20   2.23   2.23   2.23   2.47   2.47   2.47   2.47
GDT RMS_ALL_AT   2.56   2.57   2.57   2.59   2.61   2.61   2.59   2.59   2.56   2.56   2.66   2.50   2.49   2.48   2.48   2.48   2.47   2.47   2.47   2.47

# Checking swapping
#   possible swapping detected:  E     1_B      E     1_B
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  F    29_B      F    29_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    94_B      Y    94_B
#   possible swapping detected:  Y    95_B      Y    95_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     1.339     0    0.085   0.659     4.827   77.262   68.624
LGA    V     2_B      V     2_B     0.710     0    0.083   0.233     1.146   95.238   91.905
LGA    Q     3_B      Q     3_B     0.500     0    0.064   0.496     1.770   97.619   92.751
LGA    L     4_B      L     4_B     0.392     0    0.114   0.384     1.070   95.238   94.107
LGA    Q     5_B      Q     5_B     0.317     0    0.015   0.454     1.826  100.000   90.847
LGA    E     6_B      E     6_B     0.095     0    0.067   0.168     0.695  100.000   98.942
LGA    S     7_B      S     7_B     0.160     0    0.048   0.176     0.588  100.000   98.413
LGA    G     8_B      G     8_B     0.270     0    0.050   0.050     0.472  100.000  100.000
LGA    G     9_B      G     9_B     0.191     0    0.042   0.042     0.628   97.619   97.619
LGA    G    10_B      G    10_B     0.233     0    0.022   0.022     0.268  100.000  100.000
LGA    L    11_B      L    11_B     0.401     0    0.068   0.334     1.036  100.000   95.298
LGA    V    12_B      V    12_B     0.430     0    0.028   0.145     0.788  100.000   95.918
LGA    Q    13_B      Q    13_B     0.455     0    0.018   1.017     3.236  100.000   86.243
LGA    P    14_B      P    14_B     0.365     0    0.033   0.094     0.614  100.000   97.279
LGA    G    15_B      G    15_B     0.424     0    0.139   0.139     0.424  100.000  100.000
LGA    G    16_B      G    16_B     0.190     0    0.038   0.038     0.361  100.000  100.000
LGA    S    17_B      S    17_B     0.305     0    0.044   0.078     0.675  100.000   96.825
LGA    L    18_B      L    18_B     0.251     0    0.042   0.216     0.737  100.000   98.810
LGA    R    19_B      R    19_B     0.245     0    0.080   0.363     1.161   97.619   96.580
LGA    L    20_B      L    20_B     0.132     0    0.040   1.186     2.685  100.000   89.048
LGA    S    21_B      S    21_B     0.367     0    0.072   0.740     2.255  100.000   94.127
LGA    C    22_B      C    22_B     0.409     0    0.063   0.127     0.586   97.619   96.825
LGA    A    23_B      A    23_B     0.375     0    0.020   0.029     0.446  100.000  100.000
LGA    A    24_B      A    24_B     0.386     0    0.060   0.085     0.665   97.619   96.190
LGA    S    25_B      S    25_B     0.474     0    0.027   0.051     0.616  100.000   96.825
LGA    G    26_B      G    26_B     0.182     0    0.078   0.078     0.303  100.000  100.000
LGA    F    27_B      F    27_B     0.427     0    0.049   0.195     0.693  100.000   98.268
LGA    R    28_B      R    28_B     0.291     0    0.060   0.888     3.106  100.000   87.879
LGA    F    29_B      F    29_B     0.387     0    0.022   0.156     0.759  100.000   97.403
LGA    S    30_B      S    30_B     0.615     0    0.045   0.055     0.922   92.857   92.063
LGA    S    31_B      S    31_B     0.790     0    0.071   0.605     1.237   90.476   87.460
LGA    Y    32_B      Y    32_B     0.333     0    0.051   0.237     1.132  100.000   94.484
LGA    W    33_B      W    33_B     0.204     0    0.041   0.090     0.492  100.000  100.000
LGA    M    34_B      M    34_B     0.359     0    0.038   0.870     2.855  100.000   93.452
LGA    Y    35_B      Y    35_B     0.235     0    0.031   0.225     1.331  100.000   93.016
LGA    W    36_B      W    36_B     0.189     0    0.034   0.076     0.371  100.000  100.000
LGA    V    37_B      V    37_B     0.261     0    0.040   0.084     0.377  100.000  100.000
LGA    R    38_B      R    38_B     0.258     0    0.016   0.114     0.437  100.000  100.000
LGA    Q    39_B      Q    39_B     0.315     0    0.079   0.217     0.952  100.000   96.825
LGA    A    40_B      A    40_B     0.246     0    0.023   0.022     0.445  100.000  100.000
LGA    P    41_B      P    41_B     0.654     0    0.054   0.059     0.728   92.857   93.197
LGA    G    42_B      G    42_B     0.733     0    0.045   0.045     0.894   90.476   90.476
LGA    K    43_B      K    43_B     0.520     0    0.035   0.212     2.060   97.619   87.831
LGA    G    44_B      G    44_B     0.493     0    0.051   0.051     0.522   97.619   97.619
LGA    L    45_B      L    45_B     0.417     0    0.008   1.242     3.173  100.000   86.845
LGA    E    46_B      E    46_B     0.191     0    0.053   0.322     1.648   97.619   90.741
LGA    W    47_B      W    47_B     0.327     0    0.037   0.163     0.771  100.000   97.959
LGA    V    48_B      V    48_B     0.342     0    0.031   0.042     0.390  100.000  100.000
LGA    S    49_B      S    49_B     0.386     0    0.025   0.244     0.867  100.000   98.413
LGA    A    50_B      A    50_B     0.363     0    0.013   0.013     0.372  100.000  100.000
LGA    I    51_B      I    51_B     0.315     0    0.011   0.087     0.742  100.000   97.619
LGA    N    52_B      N    52_B     0.119     0    0.007   0.100     0.503   97.619   98.810
LGA    S    53_B      S    53_B     0.532     0    0.048   0.428     1.448   92.857   90.556
LGA    S    54_B      S    54_B     0.728     0    0.082   0.083     1.139   88.214   88.968
LGA    G    55_B      G    55_B     0.236     0    0.743   0.743     2.904   86.905   86.905
LGA    G    56_B      G    56_B     1.264     0    0.093   0.093     1.515   86.190   86.190
LGA    Y    57_B      Y    57_B     0.298     0    0.124   0.285     0.772   95.238   93.651
LGA    T    58_B      T    58_B     0.289     0    0.015   0.108     0.369  100.000  100.000
LGA    R    59_B      R    59_B     0.159     0    0.040   1.147     5.300  100.000   82.338
LGA    Y    60_B      Y    60_B     0.290     0    0.034   0.234     0.672  100.000   96.825
LGA    A    61_B      A    61_B     0.363     0    0.050   0.073     0.419  100.000  100.000
LGA    D    62_B      D    62_B     0.272     0    0.052   0.291     1.505   97.619   94.226
LGA    S    63_B      S    63_B     0.289     0    0.103   0.103     0.788   97.619   96.825
LGA    V    64_B      V    64_B     0.342     0    0.052   0.089     0.420  100.000  100.000
LGA    K    65_B      K    65_B     0.330     0    0.027   0.719     3.181  100.000   87.354
LGA    G    66_B      G    66_B     0.170     0    0.017   0.017     0.236  100.000  100.000
LGA    R    67_B      R    67_B     0.269     0    0.084   0.237     0.724  100.000   96.537
LGA    F    68_B      F    68_B     0.265     0    0.072   0.200     0.758   97.619   97.403
LGA    T    69_B      T    69_B     0.129     0    0.056   0.109     0.400  100.000  100.000
LGA    I    70_B      I    70_B     0.231     0    0.017   0.046     0.336  100.000  100.000
LGA    S    71_B      S    71_B     0.413     0    0.029   0.050     0.522  100.000   96.825
LGA    R    72_B      R    72_B     0.197     0    0.022   0.243     0.937  100.000   97.403
LGA    D    73_B      D    73_B     0.363     0    0.050   0.267     1.084  100.000   96.488
LGA    N    74_B      N    74_B     0.197     0    0.031   0.833     2.226  100.000   93.274
LGA    A    75_B      A    75_B     0.422     0    0.015   0.014     0.535  100.000   98.095
LGA    K    76_B      K    76_B     0.213     0    0.048   0.228     1.147  100.000   96.878
LGA    N    77_B      N    77_B     0.218     0    0.012   0.260     1.175  100.000   97.679
LGA    T    78_B      T    78_B     0.421     0    0.029   0.078     0.774  100.000   98.639
LGA    L    79_B      L    79_B     0.094     0    0.044   0.058     0.323  100.000  100.000
LGA    Y    80_B      Y    80_B     0.170     0    0.079   0.221     1.151   97.619   95.278
LGA    L    81_B      L    81_B     0.100     0    0.035   0.248     0.591  100.000   97.619
LGA    Q    82_B      Q    82_B     0.108     0    0.029   0.074     0.307  100.000  100.000
LGA    M    83_B      M    83_B     0.360     0    0.036   0.800     2.625  100.000   91.071
LGA    N    84_B      N    84_B     0.282     0    0.089   0.439     1.238   97.619   95.298
LGA    S    85_B      S    85_B     0.738     0    0.064   0.102     1.011   88.214   88.968
LGA    L    86_B      L    86_B     0.362     0    0.055   0.128     0.683   97.619   98.810
LGA    R    87_B      R    87_B     0.173     0    0.025   0.166     1.149  100.000   94.848
LGA    A    88_B      A    88_B     0.229     0    0.071   0.075     0.401  100.000  100.000
LGA    E    89_B      E    89_B     0.394     0    0.032   0.520     1.668  100.000   92.804
LGA    D    90_B      D    90_B     0.100     0    0.026   0.099     0.335  100.000  100.000
LGA    T    91_B      T    91_B     0.159     0    0.051   0.045     0.229  100.000  100.000
LGA    A    92_B      A    92_B     0.196     0    0.023   0.031     0.302  100.000  100.000
LGA    V    93_B      V    93_B     0.144     0    0.043   0.217     0.552  100.000   98.639
LGA    Y    94_B      Y    94_B     0.118     0    0.105   0.100     0.571   97.619   99.206
LGA    Y    95_B      Y    95_B     0.387     0    0.086   0.161     0.898   97.619   95.238
LGA    C    96_B      C    96_B     0.241     0    0.053   0.142     0.402  100.000  100.000
LGA    A    97_B      A    97_B     0.397     0    0.022   0.029     0.421  100.000  100.000
LGA    T    98_B      T    98_B     0.603     0    0.023   0.028     0.932   90.476   90.476
LGA    D    99_B      D    99_B     1.350     0    0.548   1.169     4.953   81.548   64.643
LGA    S   100_B      S   100_B     3.285     0    0.104   0.744     7.667   50.357   38.333
LGA    G   101_B      G   101_B     3.156     0    0.606   0.606     6.166   40.833   40.833
LGA    D   102_B      D   102_B     5.614     0    0.116   0.364     9.863   15.952   11.131
LGA    G   103_B      G   103_B    11.433     0    0.691   0.691    11.553    0.714    0.714
LGA    K   104_B      K   104_B    11.634     0    0.068   0.854    13.106    0.000    0.000
LGA    R   105_B      R   105_B    11.166     0    0.181   0.906    12.700    0.000    0.000
LGA    Y   106_B      Y   106_B    10.249     0    0.020   0.162    16.741    3.333    1.111
LGA    W   107_B      W   107_B     8.795     0    0.507   1.151    12.365    2.381    1.054
LGA    S   108_B      S   108_B     7.471     0    0.658   0.560     9.266   11.786    8.571
LGA    G   109_B      G   109_B     3.102     0    0.146   0.146     6.440   35.476   35.476
LGA    E   110_B      E   110_B     8.162     0    0.054   1.122    14.373    7.024    3.122
LGA    Y   111_B      Y   111_B     6.921     0    0.598   0.470    17.771   19.881    7.024
LGA    F   112_B      F   112_B     2.309     0    0.644   0.717     8.358   53.810   33.983
LGA    Y   113_B      Y   113_B     3.095     0    0.410   1.296     6.078   48.571   50.913
LGA    R   114_B      R   114_B     2.499     0    0.033   0.407     8.130   66.786   41.602
LGA    S   115_B      S   115_B     0.748     0    0.160   0.215     1.109   85.952   89.048
LGA    R   116_B      R   116_B     1.009     0    0.114   1.187     4.168   88.214   79.177
LGA    G   117_B      G   117_B     0.099     0    0.048   0.048     0.312  100.000  100.000
LGA    Q   118_B      Q   118_B     0.100     0    0.055   0.875     4.566  100.000   76.508
LGA    G   119_B      G   119_B     0.211     0    0.025   0.025     0.222  100.000  100.000
LGA    T   120_B      T   120_B     0.139     0    0.028   0.094     0.403  100.000  100.000
LGA    L   121_B      L   121_B     0.217     0    0.021   0.210     0.721  100.000   97.619
LGA    V   122_B      V   122_B     0.201     0    0.032   0.117     0.341  100.000  100.000
LGA    T   123_B      T   123_B     0.195     0    0.104   0.510     1.108  100.000   94.694
LGA    V   124_B      V   124_B     0.092     0    0.042   0.061     0.522  100.000   98.639
LGA    S   125_B      S   125_B     0.787     0    0.046   0.074     1.062   90.476   88.968
LGA    S   126_B      S   126_B     0.991     0    0.217   0.815     4.827   65.595   65.397

# 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):     2.470          2.478                  3.306           88.815   85.662

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    117    0.79    91.667    87.070    13.189

LGA_LOCAL      RMSD:   0.787  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.593  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.470  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.087931 * X  +   0.856922 * Y  +   0.507891 * Z  + -30.653711
  Y_new =   0.777088 * X  +  -0.378003 * Y  +   0.503237 * Z  + -14.010691
  Z_new =   0.623219 * X  +   0.350426 * Y  +  -0.699142 * Z  + -67.982948 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.458122 -0.672852  2.676967   [DEG:   83.5442  -38.5516  153.3789 ]
ZXZ:  2.351592  2.344993  1.058571   [DEG:  134.7363  134.3582   60.6516 ]
 
# END of job
