
#######################################################
#                                                     #
#                        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       3.82     3.82
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       1_B - 102_B       1.44     4.10
  LONGEST_CONTINUOUS_SEGMENT:   102       2_B - 103_B       1.98     4.00
  LCS_AVERAGE:     68.09

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       1_B - 100_B       0.82     4.21
  LCS_AVERAGE:     65.34

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      4   29   68  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     V     2_B     V     2_B    100  102  126     12  100  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     Q     3_B     Q     3_B    100  102  126     67  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     L     4_B     L     4_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     Q     5_B     Q     5_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     E     6_B     E     6_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     S     7_B     S     7_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     G     8_B     G     8_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     G     9_B     G     9_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     G    10_B     G    10_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     L    11_B     L    11_B    100  102  126     67  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     V    12_B     V    12_B    100  102  126     67  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     Q    13_B     Q    13_B    100  102  126     67  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     P    14_B     P    14_B    100  102  126     62  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     G    15_B     G    15_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     G    16_B     G    16_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     S    17_B     S    17_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     L    18_B     L    18_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     R    19_B     R    19_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     L    20_B     L    20_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     S    21_B     S    21_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     C    22_B     C    22_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     A    23_B     A    23_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     A    24_B     A    24_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     S    25_B     S    25_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     G    26_B     G    26_B    100  102  126     49  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     F    27_B     F    27_B    100  102  126     42  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     R    28_B     R    28_B    100  102  126     65  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     F    29_B     F    29_B    100  102  126     52  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     S    30_B     S    30_B    100  102  126     68  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     S    31_B     S    31_B    100  102  126     44  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     Y    32_B     Y    32_B    100  102  126     51  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     W    33_B     W    33_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     M    34_B     M    34_B    100  102  126     62  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     Y    35_B     Y    35_B    100  102  126     65  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     W    36_B     W    36_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     V    37_B     V    37_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     R    38_B     R    38_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     Q    39_B     Q    39_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     A    40_B     A    40_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     P    41_B     P    41_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     G    42_B     G    42_B    100  102  126     68  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     K    43_B     K    43_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     G    44_B     G    44_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     L    45_B     L    45_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     E    46_B     E    46_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     W    47_B     W    47_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     V    48_B     V    48_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     S    49_B     S    49_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     A    50_B     A    50_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     I    51_B     I    51_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     N    52_B     N    52_B    100  102  126     65  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     S    53_B     S    53_B    100  102  126     32  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     S    54_B     S    54_B    100  102  126      3   94  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     G    55_B     G    55_B    100  102  126      7  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     G    56_B     G    56_B    100  102  126      4   36   68  103  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     Y    57_B     Y    57_B    100  102  126      8   51  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     T    58_B     T    58_B    100  102  126     67  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     R    59_B     R    59_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     Y    60_B     Y    60_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     A    61_B     A    61_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     D    62_B     D    62_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     S    63_B     S    63_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     V    64_B     V    64_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     K    65_B     K    65_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     G    66_B     G    66_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     R    67_B     R    67_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     F    68_B     F    68_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     T    69_B     T    69_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     I    70_B     I    70_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     S    71_B     S    71_B    100  102  126     61  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     R    72_B     R    72_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     D    73_B     D    73_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     N    74_B     N    74_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     A    75_B     A    75_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     K    76_B     K    76_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     N    77_B     N    77_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     T    78_B     T    78_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     L    79_B     L    79_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     Y    80_B     Y    80_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     L    81_B     L    81_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     Q    82_B     Q    82_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     M    83_B     M    83_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     N    84_B     N    84_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     S    85_B     S    85_B    100  102  126     67  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     L    86_B     L    86_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     R    87_B     R    87_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     A    88_B     A    88_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     E    89_B     E    89_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     D    90_B     D    90_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     T    91_B     T    91_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     A    92_B     A    92_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     V    93_B     V    93_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     Y    94_B     Y    94_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     Y    95_B     Y    95_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     C    96_B     C    96_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     A    97_B     A    97_B    100  102  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     T    98_B     T    98_B    100  102  126     61  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     D    99_B     D    99_B    100  102  126      3    5  101  111  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     S   100_B     S   100_B    100  102  126      3   13   40   78  106  114  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     G   101_B     G   101_B     99  102  126      3    5    7   10   64   92  108  113  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     D   102_B     D   102_B      4  102  126      3    3    4    5    6   12   56   79   96  106  113  117  118  118  119  120  121  123  124  125 
LCS_GDT     G   103_B     G   103_B      4  102  126      3    3    4    5    6    9    9   15   18   35   84   98  108  114  119  120  121  123  124  125 
LCS_GDT     K   104_B     K   104_B      4    6  126      1    3    4    5    8   10   13   15   18   20   24   32   44   75  100  111  116  122  124  125 
LCS_GDT     R   105_B     R   105_B      3    5  126      0    3    3    4    5   10   11   14   17   20   21   28   39   55   67  102  115  121  124  125 
LCS_GDT     Y   106_B     Y   106_B      4    5  126      4    4    4    4    6   10   10   14   17   19   19   25   39   44   50   75   79  106  116  122 
LCS_GDT     W   107_B     W   107_B      4    5  126      4    4    4    4    6   10   11   14   17   22   29   41   66   76  103  116  121  123  124  125 
LCS_GDT     S   108_B     S   108_B      4    5  126      4    4    4    5    6   10   10   14   17   19   29   35   39   64   81  115  120  123  124  125 
LCS_GDT     G   109_B     G   109_B      4    6  126      4    4    4    5    7   15   35   51   59   83   92  102  114  118  119  120  121  123  124  125 
LCS_GDT     E   110_B     E   110_B      4   16  126      3    3   11   18   32   37   44   54   81  105  115  116  117  118  119  120  121  123  123  125 
LCS_GDT     Y   111_B     Y   111_B     15   16  126      3    9   40   96  111  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     F   112_B     F   112_B     15   16  126     10   62  108  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     Y   113_B     Y   113_B     15   16  126     50  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     R   114_B     R   114_B     15   16  126     47  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     S   115_B     S   115_B     15   16  126     63  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     R   116_B     R   116_B     15   16  126     19  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     G   117_B     G   117_B     15   16  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     Q   118_B     Q   118_B     15   16  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     G   119_B     G   119_B     15   16  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     T   120_B     T   120_B     15   16  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     L   121_B     L   121_B     15   16  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     V   122_B     V   122_B     15   16  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     T   123_B     T   123_B     15   16  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     V   124_B     V   124_B     15   16  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     S   125_B     S   125_B     15   16  126     69  104  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_GDT     S   126_B     S   126_B     15   16  126      5   65  109  112  114  115  115  116  116  117  117  117  118  118  119  120  121  123  124  125 
LCS_AVERAGE  LCS_A:  77.81  (  65.34   68.09  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     69    104    109    112    114    115    115    116    116    117    117    117    118    118    119    120    121    123    124    125 
GDT PERCENT_AT  54.76  82.54  86.51  88.89  90.48  91.27  91.27  92.06  92.06  92.86  92.86  92.86  93.65  93.65  94.44  95.24  96.03  97.62  98.41  99.21
GDT RMS_LOCAL    0.29   0.48   0.56   0.65   0.73   0.80   0.80   0.88   0.88   1.08   1.08   1.08   1.42   1.42   1.61   1.90   2.30   2.91   3.47   3.54
GDT RMS_ALL_AT   4.14   4.16   4.19   4.20   4.21   4.20   4.20   4.20   4.20   4.16   4.16   4.16   4.11   4.11   4.09   4.04   3.97   3.89   3.83   3.83

# Checking swapping
#   possible swapping detected:  Y    32_B      Y    32_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:  Y    95_B      Y    95_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  E   110_B      E   110_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     2.712     0    0.582   0.841     6.997   57.500   44.021
LGA    V     2_B      V     2_B     1.488     0    0.063   0.200     2.251   83.810   79.184
LGA    Q     3_B      Q     3_B     0.557     0    0.136   1.010     4.833   95.238   69.524
LGA    L     4_B      L     4_B     0.297     0    0.094   0.500     1.270   97.619   94.167
LGA    Q     5_B      Q     5_B     0.278     0    0.056   0.583     2.486  100.000   87.090
LGA    E     6_B      E     6_B     0.058     0    0.014   0.126     0.338  100.000  100.000
LGA    S     7_B      S     7_B     0.243     0    0.081   0.718     2.083  100.000   94.127
LGA    G     8_B      G     8_B     0.453     0    0.027   0.027     0.742   95.238   95.238
LGA    G     9_B      G     9_B     0.589     0    0.071   0.071     1.204   88.214   88.214
LGA    G    10_B      G    10_B     0.590     0    0.054   0.054     0.675   90.476   90.476
LGA    L    11_B      L    11_B     0.796     0    0.046   0.729     1.709   88.214   86.012
LGA    V    12_B      V    12_B     0.851     0    0.073   1.211     2.616   90.476   82.041
LGA    Q    13_B      Q    13_B     0.786     0    0.059   1.240     5.130   90.476   72.169
LGA    P    14_B      P    14_B     0.798     0    0.079   0.183     1.187   88.214   86.599
LGA    G    15_B      G    15_B     0.804     0    0.139   0.139     0.804   90.476   90.476
LGA    G    16_B      G    16_B     0.486     0    0.019   0.019     0.575   97.619   97.619
LGA    S    17_B      S    17_B     0.143     0    0.096   0.692     2.353  100.000   94.127
LGA    L    18_B      L    18_B     0.230     0    0.063   1.363     2.992   97.619   86.726
LGA    R    19_B      R    19_B     0.230     0    0.116   0.352     0.779   97.619   96.537
LGA    L    20_B      L    20_B     0.105     0    0.069   1.178     2.777  100.000   89.048
LGA    S    21_B      S    21_B     0.562     0    0.058   0.179     0.666   97.619   95.238
LGA    C    22_B      C    22_B     0.419     0    0.056   0.155     0.649  100.000   98.413
LGA    A    23_B      A    23_B     0.482     0    0.069   0.079     0.707  100.000   98.095
LGA    A    24_B      A    24_B     0.038     0    0.000   0.045     0.323  100.000  100.000
LGA    S    25_B      S    25_B     0.526     0    0.047   0.107     0.663   97.619   95.238
LGA    G    26_B      G    26_B     0.785     0    0.061   0.061     1.255   85.952   85.952
LGA    F    27_B      F    27_B     0.957     0    0.057   0.345     1.130   90.476   89.654
LGA    R    28_B      R    28_B     0.633     0    0.150   0.767     4.342   90.476   73.463
LGA    F    29_B      F    29_B     0.835     0    0.027   0.244     1.311   95.238   90.606
LGA    S    30_B      S    30_B     0.691     0    0.000   0.594     1.879   90.595   86.111
LGA    S    31_B      S    31_B     1.166     0    0.121   0.661     1.982   85.952   81.587
LGA    Y    32_B      Y    32_B     0.693     0    0.052   0.259     1.769   92.857   86.786
LGA    W    33_B      W    33_B     0.437     0    0.042   1.217     5.710   97.619   72.279
LGA    M    34_B      M    34_B     0.607     0    0.024   1.273     4.767   92.857   73.929
LGA    Y    35_B      Y    35_B     0.558     0    0.043   1.325     8.892   88.214   56.389
LGA    W    36_B      W    36_B     0.445     0    0.023   0.171     0.839   97.619   97.279
LGA    V    37_B      V    37_B     0.481     0    0.076   1.056     2.817   95.238   83.673
LGA    R    38_B      R    38_B     0.524     0    0.026   0.320     1.130   90.476   90.519
LGA    Q    39_B      Q    39_B     0.328     0    0.050   0.307     0.859  100.000   97.884
LGA    A    40_B      A    40_B     0.377     0    0.046   0.043     0.567   97.619   98.095
LGA    P    41_B      P    41_B     0.485     0    0.081   0.112     0.622  100.000   98.639
LGA    G    42_B      G    42_B     0.823     0    0.077   0.077     1.454   88.214   88.214
LGA    K    43_B      K    43_B     0.504     0    0.018   0.931     2.915   95.238   84.286
LGA    G    44_B      G    44_B     0.334     0    0.097   0.097     0.436  100.000  100.000
LGA    L    45_B      L    45_B     0.541     0    0.068   1.146     3.187   90.476   80.000
LGA    E    46_B      E    46_B     0.436     0    0.044   0.582     2.183   95.238   83.862
LGA    W    47_B      W    47_B     0.506     0    0.083   0.266     2.022   95.238   86.156
LGA    V    48_B      V    48_B     0.151     0    0.058   0.092     0.390  100.000  100.000
LGA    S    49_B      S    49_B     0.181     0    0.048   0.193     0.850  100.000   98.413
LGA    A    50_B      A    50_B     0.352     0    0.000   0.056     0.361  100.000  100.000
LGA    I    51_B      I    51_B     0.569     0    0.047   0.149     0.990   90.476   94.048
LGA    N    52_B      N    52_B     0.626     0    0.038   0.134     0.920   90.476   90.476
LGA    S    53_B      S    53_B     0.957     0    0.005   0.485     1.745   88.214   84.524
LGA    S    54_B      S    54_B     1.331     0    0.090   0.121     2.412   77.381   75.873
LGA    G    55_B      G    55_B     1.056     0    0.715   0.715     2.560   77.619   77.619
LGA    G    56_B      G    56_B     2.760     0    0.216   0.216     2.760   65.000   65.000
LGA    Y    57_B      Y    57_B     1.562     0    0.080   1.400     7.008   77.381   55.675
LGA    T    58_B      T    58_B     0.638     0    0.060   1.108     2.691   92.976   83.469
LGA    R    59_B      R    59_B     0.347     0    0.059   1.150     4.786  100.000   83.203
LGA    Y    60_B      Y    60_B     0.201     0    0.049   0.230     0.740  100.000   96.825
LGA    A    61_B      A    61_B     0.420     0    0.107   0.116     0.525   97.619   96.190
LGA    D    62_B      D    62_B     0.489     0    0.062   0.962     3.409   97.619   81.607
LGA    S    63_B      S    63_B     0.134     0    0.022   0.043     0.186  100.000  100.000
LGA    V    64_B      V    64_B     0.105     0    0.120   0.114     0.643   97.619   98.639
LGA    K    65_B      K    65_B     0.093     0    0.000   0.850     3.731  100.000   83.492
LGA    G    66_B      G    66_B     0.263     0    0.134   0.134     0.966   97.619   97.619
LGA    R    67_B      R    67_B     0.408     0    0.043   0.164     1.202  100.000   93.117
LGA    F    68_B      F    68_B     0.373     0    0.070   0.431     1.358   97.619   91.429
LGA    T    69_B      T    69_B     0.377     0    0.131   0.138     0.634   97.619   97.279
LGA    I    70_B      I    70_B     0.682     0    0.014   0.134     0.958   90.476   90.476
LGA    S    71_B      S    71_B     0.754     0    0.032   0.632     2.363   90.476   86.190
LGA    R    72_B      R    72_B     0.460     0    0.065   0.934     2.271   97.619   88.442
LGA    D    73_B      D    73_B     0.216     0    0.046   0.232     0.755  100.000   98.810
LGA    N    74_B      N    74_B     0.168     0    0.059   0.657     1.942  100.000   94.286
LGA    A    75_B      A    75_B     0.214     0    0.025   0.038     0.486  100.000  100.000
LGA    K    76_B      K    76_B     0.441     0    0.148   0.997     2.672   97.619   86.085
LGA    N    77_B      N    77_B     0.479     0    0.044   0.205     0.895  100.000   96.429
LGA    T    78_B      T    78_B     0.287     0    0.053   1.139     2.659  100.000   88.844
LGA    L    79_B      L    79_B     0.441     0    0.020   0.048     0.866  100.000   95.238
LGA    Y    80_B      Y    80_B     0.284     0    0.074   0.256     0.973   97.619   96.032
LGA    L    81_B      L    81_B     0.174     0    0.010   0.229     0.539  100.000   98.810
LGA    Q    82_B      Q    82_B     0.124     0    0.063   0.983     2.204  100.000   93.069
LGA    M    83_B      M    83_B     0.384     0    0.007   0.645     1.676  100.000   93.036
LGA    N    84_B      N    84_B     0.178     0    0.058   0.332     0.843   97.619   96.429
LGA    S    85_B      S    85_B     0.906     0    0.066   0.103     1.129   88.214   85.952
LGA    L    86_B      L    86_B     0.042     0    0.000   1.048     2.857   97.619   85.536
LGA    R    87_B      R    87_B     0.492     0    0.040   0.408     1.386  100.000   89.827
LGA    A    88_B      A    88_B     0.120     0    0.077   0.091     0.334  100.000  100.000
LGA    E    89_B      E    89_B     0.589     0    0.072   0.424     1.424   97.619   91.640
LGA    D    90_B      D    90_B     0.293     0    0.077   0.118     0.539  100.000   97.619
LGA    T    91_B      T    91_B     0.234     0    0.059   0.909     2.253  100.000   89.932
LGA    A    92_B      A    92_B     0.366     0    0.000   0.044     0.470  100.000  100.000
LGA    V    93_B      V    93_B     0.374     0    0.075   0.810     2.228  100.000   91.088
LGA    Y    94_B      Y    94_B     0.260     0    0.125   0.122     0.793   97.619   99.206
LGA    Y    95_B      Y    95_B     0.422     0    0.009   0.213     0.627  100.000   99.206
LGA    C    96_B      C    96_B     0.231     0    0.000   0.147     0.809  100.000   98.413
LGA    A    97_B      A    97_B     0.354     0    0.064   0.091     0.534  100.000   98.095
LGA    T    98_B      T    98_B     0.679     0    0.134   0.201     1.225   90.476   89.184
LGA    D    99_B      D    99_B     2.341     0    0.456   0.440     4.422   68.929   56.190
LGA    S   100_B      S   100_B     4.076     0    0.701   0.756     7.221   37.500   29.524
LGA    G   101_B      G   101_B     6.879     0    0.348   0.348    10.329    9.405    9.405
LGA    D   102_B      D   102_B    10.388     0    0.231   1.139    14.846    1.190    1.369
LGA    G   103_B      G   103_B    15.219     0    0.349   0.349    15.703    0.000    0.000
LGA    K   104_B      K   104_B    17.982     0    0.641   1.401    19.861    0.000    0.000
LGA    R   105_B      R   105_B    18.962     0    0.637   0.969    21.329    0.000    0.000
LGA    Y   106_B      Y   106_B    19.362     0    0.542   0.587    24.223    0.000    0.000
LGA    W   107_B      W   107_B    15.844     0    0.117   1.167    17.249    0.000    0.000
LGA    S   108_B      S   108_B    14.969     0    0.184   0.561    15.179    0.000    0.000
LGA    G   109_B      G   109_B    11.641     0    0.109   0.109    12.903    0.833    0.833
LGA    E   110_B      E   110_B     8.567     0    0.595   1.168    12.267    7.500    3.492
LGA    Y   111_B      Y   111_B     3.525     0    0.048   1.420     8.906   40.714   35.476
LGA    F   112_B      F   112_B     1.853     0    0.056   0.212     3.847   68.929   60.346
LGA    Y   113_B      Y   113_B     0.816     0    0.295   1.331     7.719   86.071   60.992
LGA    R   114_B      R   114_B     0.857     0    0.077   1.253     8.035   90.476   57.662
LGA    S   115_B      S   115_B     0.581     0    0.019   0.679     2.361   95.238   89.365
LGA    R   116_B      R   116_B     0.783     0    0.083   0.914     3.915   92.857   72.727
LGA    G   117_B      G   117_B     0.205     0    0.096   0.096     0.356  100.000  100.000
LGA    Q   118_B      Q   118_B     0.262     0    0.057   0.719     2.936   97.619   79.894
LGA    G   119_B      G   119_B     0.333     0    0.039   0.039     0.747   95.238   95.238
LGA    T   120_B      T   120_B     0.488     0    0.035   0.133     0.737  100.000   97.279
LGA    L   121_B      L   121_B     0.627     0    0.054   1.174     4.133   95.238   81.726
LGA    V   122_B      V   122_B     0.176     0    0.034   0.153     0.530  100.000   98.639
LGA    T   123_B      T   123_B     0.304     0    0.076   0.509     1.561   97.619   92.109
LGA    V   124_B      V   124_B     0.226     0    0.058   1.163     2.841  100.000   88.844
LGA    S   125_B      S   125_B     0.669     0    0.024   0.051     1.210   85.952   87.460
LGA    S   126_B      S   126_B     1.709     0    0.322   0.917     4.170   58.690   63.492

# 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):     3.818          3.803                  4.427           85.856   80.319

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    116    0.88    89.683    84.904    11.797

LGA_LOCAL      RMSD:   0.883  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.197  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   3.818  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.762211 * X  +  -0.592177 * Y  +   0.261459 * Z  + 207.167450
  Y_new =   0.507947 * X  +  -0.296756 * Y  +   0.808657 * Z  + -206.630875
  Z_new =  -0.401278 * X  +   0.749174 * Y  +   0.526985 * Z  + -255.468414 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.553766  0.412912  0.957778   [DEG:  146.3200   23.6581   54.8766 ]
ZXZ:  2.828876  1.015747 -0.491742   [DEG:  162.0827   58.1980  -28.1747 ]
 
# END of job
