
#######################################################
#                                                     #
#                        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       3.48     3.48
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       1_B - 102_B       1.56     3.66
  LCS_AVERAGE:     67.88

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100       1_B - 100_B       0.87     3.77
  LCS_AVERAGE:     64.79

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     23   85  107  112  113  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     V     2_B     V     2_B    100  102  126     34  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     Q     3_B     Q     3_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     L     4_B     L     4_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     Q     5_B     Q     5_B    100  102  126     60  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     E     6_B     E     6_B    100  102  126     41  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     S     7_B     S     7_B    100  102  126     63  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     G     8_B     G     8_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     G     9_B     G     9_B    100  102  126     33  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     G    10_B     G    10_B    100  102  126     33  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     L    11_B     L    11_B    100  102  126     41  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     V    12_B     V    12_B    100  102  126     53  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     Q    13_B     Q    13_B    100  102  126     56  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     P    14_B     P    14_B    100  102  126     10  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     G    15_B     G    15_B    100  102  126      3    5   15  103  111  113  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     G    16_B     G    16_B    100  102  126      3  101  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     S    17_B     S    17_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     L    18_B     L    18_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     R    19_B     R    19_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     L    20_B     L    20_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     S    21_B     S    21_B    100  102  126     58  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     C    22_B     C    22_B    100  102  126     60  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     A    23_B     A    23_B    100  102  126     40  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     A    24_B     A    24_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     S    25_B     S    25_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     G    26_B     G    26_B    100  102  126      8  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     F    27_B     F    27_B    100  102  126      8  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     R    28_B     R    28_B    100  102  126     12  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     F    29_B     F    29_B    100  102  126     40  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     S    30_B     S    30_B    100  102  126     16  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     S    31_B     S    31_B    100  102  126     16  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     Y    32_B     Y    32_B    100  102  126     59  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     W    33_B     W    33_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     M    34_B     M    34_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     Y    35_B     Y    35_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     W    36_B     W    36_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     V    37_B     V    37_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     R    38_B     R    38_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     Q    39_B     Q    39_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     A    40_B     A    40_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     P    41_B     P    41_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     G    42_B     G    42_B    100  102  126     58  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     K    43_B     K    43_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     G    44_B     G    44_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     L    45_B     L    45_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     E    46_B     E    46_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     W    47_B     W    47_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     V    48_B     V    48_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     S    49_B     S    49_B    100  102  126     58  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     A    50_B     A    50_B    100  102  126     36  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     I    51_B     I    51_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     N    52_B     N    52_B    100  102  126     42  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     S    53_B     S    53_B    100  102  126     31   96  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     S    54_B     S    54_B    100  102  126     61  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     G    55_B     G    55_B    100  102  126      4   42  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     G    56_B     G    56_B    100  102  126      4   18   30   57  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     Y    57_B     Y    57_B    100  102  126     10   57  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     T    58_B     T    58_B    100  102  126     48  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     R    59_B     R    59_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     Y    60_B     Y    60_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     A    61_B     A    61_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     D    62_B     D    62_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     S    63_B     S    63_B    100  102  126     55  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     V    64_B     V    64_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     K    65_B     K    65_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     G    66_B     G    66_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     R    67_B     R    67_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     F    68_B     F    68_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     T    69_B     T    69_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     I    70_B     I    70_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     S    71_B     S    71_B    100  102  126     53  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     R    72_B     R    72_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     D    73_B     D    73_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     N    74_B     N    74_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     A    75_B     A    75_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     K    76_B     K    76_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     N    77_B     N    77_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     T    78_B     T    78_B    100  102  126     61  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     L    79_B     L    79_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     Y    80_B     Y    80_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     L    81_B     L    81_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     Q    82_B     Q    82_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     M    83_B     M    83_B    100  102  126     60  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     N    84_B     N    84_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     S    85_B     S    85_B    100  102  126     48  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     L    86_B     L    86_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     R    87_B     R    87_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     A    88_B     A    88_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     E    89_B     E    89_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     D    90_B     D    90_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     T    91_B     T    91_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     A    92_B     A    92_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     V    93_B     V    93_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     Y    94_B     Y    94_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     Y    95_B     Y    95_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     C    96_B     C    96_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     A    97_B     A    97_B    100  102  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     T    98_B     T    98_B    100  102  126     26  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     D    99_B     D    99_B    100  102  126      3   81  107  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     S   100_B     S   100_B    100  102  126      3    4   21   39  110  113  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     G   101_B     G   101_B      3  102  126      3    4    5    9   21   80  101  112  117  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     D   102_B     D   102_B      3  102  126      1    3    3    5    7   11   13   49   80   99  105  114  118  121  121  122  123  123  125  126 
LCS_GDT     G   103_B     G   103_B      3    8  126      3    3    5    7    9   11   12   13   13   19   22   32   40   62   92  116  120  123  125  126 
LCS_GDT     K   104_B     K   104_B      4    8  126      3    4    5    6    7    8   10   13   16   20   29   33   44   55   93  110  120  120  124  126 
LCS_GDT     R   105_B     R   105_B      4    8  126      3    4    4    6    9   12   17   21   48   78   87  100  110  117  118  122  123  123  125  126 
LCS_GDT     Y   106_B     Y   106_B      4    8  126      3    5    5    6    9   12   17   17   21   26   48   61   91  105  115  118  120  123  125  126 
LCS_GDT     W   107_B     W   107_B      4    8  126      3    4    4    5    6    8   10   42   54   79   92  102  114  117  119  122  123  123  125  126 
LCS_GDT     S   108_B     S   108_B      4    8  126      4    5    5    6    7    8   10   13   16  104  112  117  120  121  121  122  123  123  125  126 
LCS_GDT     G   109_B     G   109_B      4   18  126      4    5   18   33   48   85  109  116  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     E   110_B     E   110_B     14   18  126      4   23   72  111  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     Y   111_B     Y   111_B     14   18  126      4   17   41  106  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     F   112_B     F   112_B     15   18  126      7   52  107  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     Y   113_B     Y   113_B     15   18  126     10   81  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     R   114_B     R   114_B     15   18  126     17   78  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     S   115_B     S   115_B     15   18  126     34  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     R   116_B     R   116_B     15   18  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     G   117_B     G   117_B     15   18  126     58  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     Q   118_B     Q   118_B     15   18  126     17  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     G   119_B     G   119_B     15   18  126     13  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     T   120_B     T   120_B     15   18  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     L   121_B     L   121_B     15   18  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     V   122_B     V   122_B     15   18  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     T   123_B     T   123_B     15   18  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     V   124_B     V   124_B     15   18  126     64  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     S   125_B     S   125_B     15   18  126     27  102  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_GDT     S   126_B     S   126_B     15   18  126      3   90  108  112  114  115  117  117  118  119  119  119  120  121  121  122  123  123  125  126 
LCS_AVERAGE  LCS_A:  77.56  (  64.79   67.88  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     64    102    108    112    114    115    117    117    118    119    119    119    120    121    121    122    123    123    125    126 
GDT PERCENT_AT  50.79  80.95  85.71  88.89  90.48  91.27  92.86  92.86  93.65  94.44  94.44  94.44  95.24  96.03  96.03  96.83  97.62  97.62  99.21 100.00
GDT RMS_LOCAL    0.35   0.56   0.64   0.73   0.84   0.86   0.98   0.98   1.12   1.31   1.31   1.31   1.59   1.88   1.88   2.23   2.56   2.56   3.17   3.48
GDT RMS_ALL_AT   3.79   3.78   3.82   3.80   3.84   3.83   3.81   3.81   3.78   3.74   3.74   3.74   3.70   3.64   3.64   3.59   3.54   3.54   3.48   3.48

# Checking swapping
#   possible swapping detected:  E     1_B      E     1_B
#   possible swapping detected:  F    27_B      F    27_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  Y    35_B      Y    35_B
#   possible swapping detected:  Y    57_B      Y    57_B
#   possible swapping detected:  Y    60_B      Y    60_B
#   possible swapping detected:  E   110_B      E   110_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     2.016     0    0.110   0.746     6.039   75.119   51.587
LGA    V     2_B      V     2_B     0.966     0    0.144   1.339     3.661   83.810   76.122
LGA    Q     3_B      Q     3_B     0.345     0    0.053   1.019     4.762  100.000   75.132
LGA    L     4_B      L     4_B     0.262     0    0.014   0.457     1.180  100.000   95.357
LGA    Q     5_B      Q     5_B     0.446     0    0.069   0.980     3.471   97.619   80.899
LGA    E     6_B      E     6_B     0.617     0    0.063   0.939     3.474   90.476   83.016
LGA    S     7_B      S     7_B     0.382     0    0.080   0.167     0.494  100.000  100.000
LGA    G     8_B      G     8_B     0.614     0    0.098   0.098     0.885   90.476   90.476
LGA    G     9_B      G     9_B     0.908     0    0.032   0.032     0.908   90.476   90.476
LGA    G    10_B      G    10_B     1.016     0    0.049   0.049     1.113   85.952   85.952
LGA    L    11_B      L    11_B     0.874     0    0.098   0.405     1.394   85.952   87.083
LGA    V    12_B      V    12_B     0.801     0    0.046   0.153     1.137   90.476   89.184
LGA    Q    13_B      Q    13_B     0.602     0    0.064   1.172     3.449   90.476   80.159
LGA    P    14_B      P    14_B     0.897     0    0.633   0.576     2.059   84.048   85.510
LGA    G    15_B      G    15_B     3.230     0    0.213   0.213     3.489   53.571   53.571
LGA    G    16_B      G    16_B     1.130     0    0.080   0.080     1.579   83.810   83.810
LGA    S    17_B      S    17_B     0.469     0    0.048   0.083     0.838   95.238   93.651
LGA    L    18_B      L    18_B     0.612     0    0.098   1.368     2.808   88.214   80.833
LGA    R    19_B      R    19_B     0.568     0    0.113   1.044     4.135   88.214   80.909
LGA    L    20_B      L    20_B     0.409     0    0.056   1.199     2.855  100.000   87.857
LGA    S    21_B      S    21_B     0.668     0    0.060   0.204     0.810   92.857   92.063
LGA    C    22_B      C    22_B     0.610     0    0.047   0.117     0.809   90.476   90.476
LGA    A    23_B      A    23_B     0.768     0    0.120   0.147     0.934   90.476   90.476
LGA    A    24_B      A    24_B     0.283     0    0.048   0.076     0.868   97.619   96.190
LGA    S    25_B      S    25_B     0.131     0    0.053   0.073     0.516   97.619   98.413
LGA    G    26_B      G    26_B     0.938     0    0.013   0.013     1.345   85.952   85.952
LGA    F    27_B      F    27_B     0.931     0    0.044   0.261     1.334   90.476   87.186
LGA    R    28_B      R    28_B     0.621     0    0.059   0.772     5.377   90.476   61.775
LGA    F    29_B      F    29_B     0.557     0    0.012   0.087     0.635   92.857   94.805
LGA    S    30_B      S    30_B     0.786     0    0.052   0.095     1.104   88.214   87.460
LGA    S    31_B      S    31_B     0.940     0    0.043   0.592     1.549   90.476   86.032
LGA    Y    32_B      Y    32_B     0.586     0    0.030   0.260     1.146   92.857   90.516
LGA    W    33_B      W    33_B     0.358     0    0.035   0.343     1.980  100.000   86.224
LGA    M    34_B      M    34_B     0.245     0    0.024   0.936     3.696  100.000   92.917
LGA    Y    35_B      Y    35_B     0.152     0    0.033   0.378     2.329  100.000   86.389
LGA    W    36_B      W    36_B     0.178     0    0.039   0.163     0.916  100.000   95.238
LGA    V    37_B      V    37_B     0.446     0    0.028   0.063     0.549   92.857   94.558
LGA    R    38_B      R    38_B     0.681     0    0.101   0.594     1.368   90.476   91.429
LGA    Q    39_B      Q    39_B     0.389     0    0.097   0.160     0.417  100.000  100.000
LGA    A    40_B      A    40_B     0.290     0    0.030   0.033     0.559   97.619   98.095
LGA    P    41_B      P    41_B     0.583     0    0.085   0.091     0.874   95.238   93.197
LGA    G    42_B      G    42_B     1.030     0    0.012   0.012     1.227   85.952   85.952
LGA    K    43_B      K    43_B     0.518     0    0.048   0.682     2.731   95.238   85.926
LGA    G    44_B      G    44_B     0.243     0    0.095   0.095     0.368  100.000  100.000
LGA    L    45_B      L    45_B     0.310     0    0.051   0.461     1.780   97.619   94.226
LGA    E    46_B      E    46_B     0.318     0    0.024   0.254     1.197   97.619   94.762
LGA    W    47_B      W    47_B     0.459     0    0.032   0.213     0.791  100.000   96.599
LGA    V    48_B      V    48_B     0.452     0    0.037   0.063     0.464  100.000  100.000
LGA    S    49_B      S    49_B     0.691     0    0.030   0.277     1.481   90.476   88.968
LGA    A    50_B      A    50_B     0.958     0    0.054   0.059     1.154   92.857   90.571
LGA    I    51_B      I    51_B     0.567     0    0.071   1.048     2.934   88.214   81.845
LGA    N    52_B      N    52_B     0.710     0    0.039   1.107     5.171   95.238   73.869
LGA    S    53_B      S    53_B     1.169     0    0.125   0.589     2.270   85.952   80.238
LGA    S    54_B      S    54_B     0.404     0    0.269   0.263     2.454   84.167   80.476
LGA    G    55_B      G    55_B     1.327     0    0.192   0.192     2.371   77.381   77.381
LGA    G    56_B      G    56_B     3.060     0    0.326   0.326     3.060   63.095   63.095
LGA    Y    57_B      Y    57_B     1.541     0    0.071   1.359     7.022   79.643   55.238
LGA    T    58_B      T    58_B     0.620     0    0.066   1.121     2.845   95.238   85.918
LGA    R    59_B      R    59_B     0.326     0    0.044   0.304     1.241  100.000   97.446
LGA    Y    60_B      Y    60_B     0.344     0    0.039   0.295     0.938  100.000   96.825
LGA    A    61_B      A    61_B     0.412     0    0.037   0.049     0.436  100.000  100.000
LGA    D    62_B      D    62_B     0.330     0    0.107   0.301     1.533   97.619   90.714
LGA    S    63_B      S    63_B     0.527     0    0.167   0.161     0.986   95.238   93.651
LGA    V    64_B      V    64_B     0.374     0    0.046   0.090     0.638  100.000   98.639
LGA    K    65_B      K    65_B     0.306     0    0.042   0.720     2.982  100.000   88.095
LGA    G    66_B      G    66_B     0.407     0    0.024   0.024     0.527   97.619   97.619
LGA    R    67_B      R    67_B     0.395     0    0.038   0.087     0.438  100.000  100.000
LGA    F    68_B      F    68_B     0.421     0    0.049   0.124     0.743   95.238   95.671
LGA    T    69_B      T    69_B     0.477     0    0.114   0.187     0.879   92.857   94.558
LGA    I    70_B      I    70_B     0.625     0    0.000   0.060     0.869   92.857   91.667
LGA    S    71_B      S    71_B     0.730     0    0.050   0.062     0.798   92.857   92.063
LGA    R    72_B      R    72_B     0.527     0    0.041   0.537     1.329   90.476   90.563
LGA    D    73_B      D    73_B     0.286     0    0.046   0.407     1.191  100.000   96.488
LGA    N    74_B      N    74_B     0.481     0    0.035   0.923     2.090   95.238   88.631
LGA    A    75_B      A    75_B     0.645     0    0.068   0.073     0.795   90.476   90.476
LGA    K    76_B      K    76_B     0.580     0    0.070   0.296     1.200   95.238   92.646
LGA    N    77_B      N    77_B     0.164     0    0.016   0.335     1.260   97.619   96.488
LGA    T    78_B      T    78_B     0.390     0    0.085   0.103     0.788  100.000   97.279
LGA    L    79_B      L    79_B     0.360     0    0.027   0.076     0.580  100.000   96.429
LGA    Y    80_B      Y    80_B     0.220     0    0.099   0.158     1.103   97.619   92.937
LGA    L    81_B      L    81_B     0.239     0    0.031   0.186     0.694  100.000   98.810
LGA    Q    82_B      Q    82_B     0.511     0    0.015   0.242     0.992   97.619   93.651
LGA    M    83_B      M    83_B     0.607     0    0.032   0.606     1.706   90.476   88.274
LGA    N    84_B      N    84_B     0.450     0    0.089   0.377     1.032   92.857   91.726
LGA    S    85_B      S    85_B     0.919     0    0.065   0.091     1.253   88.214   87.460
LGA    L    86_B      L    86_B     0.578     0    0.084   0.137     0.895   90.476   94.048
LGA    R    87_B      R    87_B     0.450     0    0.010   1.360     5.155   97.619   76.797
LGA    A    88_B      A    88_B     0.392     0    0.074   0.074     0.581  100.000   98.095
LGA    E    89_B      E    89_B     0.495     0    0.037   0.756     2.658  100.000   90.053
LGA    D    90_B      D    90_B     0.380     0    0.014   0.053     0.427  100.000  100.000
LGA    T    91_B      T    91_B     0.472     0    0.311   0.379     1.687   90.833   90.680
LGA    A    92_B      A    92_B     0.439     0    0.068   0.100     0.641   97.619   96.190
LGA    V    93_B      V    93_B     0.436     0    0.038   0.166     0.778  100.000   97.279
LGA    Y    94_B      Y    94_B     0.358     0    0.166   0.164     1.136   92.976   97.659
LGA    Y    95_B      Y    95_B     0.360     0    0.060   0.116     0.744  100.000   93.651
LGA    C    96_B      C    96_B     0.182     0    0.042   0.126     0.643  100.000   98.413
LGA    A    97_B      A    97_B     0.372     0    0.042   0.054     0.416  100.000  100.000
LGA    T    98_B      T    98_B     0.782     0    0.125   0.978     2.823   90.476   83.197
LGA    D    99_B      D    99_B     1.757     0    0.542   0.571     3.789   75.000   63.512
LGA    S   100_B      S   100_B     3.922     0    0.707   0.849     8.149   36.548   28.016
LGA    G   101_B      G   101_B     7.530     0    0.644   0.644    11.610    6.190    6.190
LGA    D   102_B      D   102_B    11.732     0    0.671   1.081    15.247    0.357    0.179
LGA    G   103_B      G   103_B    16.951     0    0.640   0.640    18.066    0.000    0.000
LGA    K   104_B      K   104_B    18.870     0    0.669   0.955    24.695    0.000    0.000
LGA    R   105_B      R   105_B    15.616     0    0.084   1.031    17.398    0.000    0.303
LGA    Y   106_B      Y   106_B    16.880     0    0.682   1.430    28.232    0.000    0.000
LGA    W   107_B      W   107_B    14.371     0    0.640   1.188    15.566    0.000    0.000
LGA    S   108_B      S   108_B    10.300     0    0.541   0.774    11.196    1.071    1.984
LGA    G   109_B      G   109_B     6.100     0    0.090   0.090     7.315   28.452   28.452
LGA    E   110_B      E   110_B     3.130     0    0.010   1.068     7.534   46.786   29.471
LGA    Y   111_B      Y   111_B     2.868     0    0.268   1.121     8.522   51.905   39.286
LGA    F   112_B      F   112_B     2.220     0    0.094   1.290     8.427   60.952   40.043
LGA    Y   113_B      Y   113_B     1.425     0    0.233   1.186     4.676   79.286   69.246
LGA    R   114_B      R   114_B     1.704     0    0.053   1.225     8.423   72.976   43.896
LGA    S   115_B      S   115_B     0.780     0    0.024   0.640     2.798   95.238   88.095
LGA    R   116_B      R   116_B     0.384     0    0.130   1.169     4.848  100.000   80.823
LGA    G   117_B      G   117_B     0.531     0    0.068   0.068     0.979   92.857   92.857
LGA    Q   118_B      Q   118_B     0.968     0    0.642   0.799     3.383   78.095   75.291
LGA    G   119_B      G   119_B     0.966     0    0.070   0.070     1.467   83.690   83.690
LGA    T   120_B      T   120_B     0.539     0    0.088   0.992     2.364   95.238   87.007
LGA    L   121_B      L   121_B     0.371     0    0.036   0.225     1.272   97.619   92.917
LGA    V   122_B      V   122_B     0.414     0    0.023   0.152     0.602  100.000   97.279
LGA    T   123_B      T   123_B     0.315     0    0.062   0.514     1.508   97.619   92.109
LGA    V   124_B      V   124_B     0.444     0    0.068   0.082     1.037   92.976   91.905
LGA    S   125_B      S   125_B     1.009     0    0.106   0.511     1.924   85.952   81.587
LGA    S   126_B      S   126_B     1.534     0    0.546   0.756     4.287   69.286   59.603

# 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):     3.475          3.491                  4.226           84.821   80.275

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    117    0.98    89.881    85.261    10.816

LGA_LOCAL      RMSD:   0.982  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.810  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   3.475  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.281137 * X  +   0.359900 * Y  +   0.889626 * Z  + -37.642796
  Y_new =  -0.855474 * X  +   0.514076 * Y  +   0.062374 * Z  + -15.512997
  Z_new =  -0.434887 * X  +  -0.778587 * Y  +   0.452411 * Z  + -48.584984 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.253282  0.449912 -1.044415   [DEG:  -71.8078   25.7781  -59.8406 ]
ZXZ:  1.640794  1.101329 -2.632202   [DEG:   94.0106   63.1015 -150.8141 ]
 
# END of job
