
#######################################################
#                                                     #
#                        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       3.45     3.45
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       1_B - 102_B       1.43     3.67
  LCS_AVERAGE:     67.62

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       1_B - 101_B       0.96     3.74
  LCS_AVERAGE:     66.11

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     E     1_B     E     1_B    101  102  126     10   63  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     V     2_B     V     2_B    101  102  126     18  104  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     Q     3_B     Q     3_B    101  102  126     70  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     L     4_B     L     4_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     Q     5_B     Q     5_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     E     6_B     E     6_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     S     7_B     S     7_B    101  102  126     69  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     G     8_B     G     8_B    101  102  126     66  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     G     9_B     G     9_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     G    10_B     G    10_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     L    11_B     L    11_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     V    12_B     V    12_B    101  102  126     71  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     Q    13_B     Q    13_B    101  102  126     71  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     P    14_B     P    14_B    101  102  126     36  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     G    15_B     G    15_B    101  102  126     74  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     G    16_B     G    16_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     S    17_B     S    17_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     L    18_B     L    18_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     R    19_B     R    19_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     L    20_B     L    20_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     S    21_B     S    21_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     C    22_B     C    22_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     A    23_B     A    23_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     A    24_B     A    24_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     S    25_B     S    25_B    101  102  126     66  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     G    26_B     G    26_B    101  102  126     61  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     F    27_B     F    27_B    101  102  126     45  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     R    28_B     R    28_B    101  102  126     55  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     F    29_B     F    29_B    101  102  126     37  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     S    30_B     S    30_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     S    31_B     S    31_B    101  102  126     31  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     Y    32_B     Y    32_B    101  102  126     73  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     W    33_B     W    33_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     M    34_B     M    34_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     Y    35_B     Y    35_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     W    36_B     W    36_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     V    37_B     V    37_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     R    38_B     R    38_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     Q    39_B     Q    39_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     A    40_B     A    40_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     P    41_B     P    41_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     G    42_B     G    42_B    101  102  126     36  107  111  113  114  115  115  116  117  117  117  117  119  120  121  121  123  125  125  126 
LCS_GDT     K    43_B     K    43_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     G    44_B     G    44_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     L    45_B     L    45_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     E    46_B     E    46_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     W    47_B     W    47_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     V    48_B     V    48_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     S    49_B     S    49_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     A    50_B     A    50_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     I    51_B     I    51_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     N    52_B     N    52_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     S    53_B     S    53_B    101  102  126     65  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     S    54_B     S    54_B    101  102  126      4   98  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     G    55_B     G    55_B    101  102  126     69  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     G    56_B     G    56_B    101  102  126      3   33   96  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     Y    57_B     Y    57_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     T    58_B     T    58_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     R    59_B     R    59_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     Y    60_B     Y    60_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     A    61_B     A    61_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     D    62_B     D    62_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     S    63_B     S    63_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     V    64_B     V    64_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     K    65_B     K    65_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     G    66_B     G    66_B    101  102  126     74  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     R    67_B     R    67_B    101  102  126     74  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     F    68_B     F    68_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     T    69_B     T    69_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     I    70_B     I    70_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     S    71_B     S    71_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     R    72_B     R    72_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     D    73_B     D    73_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     N    74_B     N    74_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     A    75_B     A    75_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     K    76_B     K    76_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     N    77_B     N    77_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     T    78_B     T    78_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     L    79_B     L    79_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     Y    80_B     Y    80_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     L    81_B     L    81_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     Q    82_B     Q    82_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     M    83_B     M    83_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     N    84_B     N    84_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     S    85_B     S    85_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     L    86_B     L    86_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     R    87_B     R    87_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     A    88_B     A    88_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     E    89_B     E    89_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     D    90_B     D    90_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     T    91_B     T    91_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     A    92_B     A    92_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     V    93_B     V    93_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     Y    94_B     Y    94_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     Y    95_B     Y    95_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     C    96_B     C    96_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     A    97_B     A    97_B    101  102  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     T    98_B     T    98_B    101  102  126     68  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     D    99_B     D    99_B    101  102  126      3    7  108  112  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     S   100_B     S   100_B    101  102  126      3    3   45   75  105  114  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     G   101_B     G   101_B    101  102  126      3    3    7   11   77  105  112  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     D   102_B     D   102_B      3  102  126      0    3    3    5    9   11   35   66   89  102  108  115  119  120  121  122  123  125  125  126 
LCS_GDT     G   103_B     G   103_B      5    8  126      3    4    6    8   11   12   14   18   23   27   32   35   40   58   96  117  121  125  125  126 
LCS_GDT     K   104_B     K   104_B      5    7  126      3    4    6    8   11   12   14   18   23   27   32   35   48   61   90  111  121  124  125  126 
LCS_GDT     R   105_B     R   105_B      5    7  126      3    4    6    8   11   12   15   20   25   41   52   87   99  107  116  119  123  125  125  126 
LCS_GDT     Y   106_B     Y   106_B      5    5  126      2    4    6    8   11   13   25   49   73   88  100  109  116  120  121  122  123  125  125  126 
LCS_GDT     W   107_B     W   107_B      5    5  126      3    4    6    8   14   28   42   64   81   96  106  115  119  120  121  122  123  125  125  126 
LCS_GDT     S   108_B     S   108_B      3    5  126      3    3    3    4    5    6    8   10   11   12   22   34   49  112  121  122  123  125  125  126 
LCS_GDT     G   109_B     G   109_B      3    6  126      3    3    4    4    6    7    8   13   16   80   90   99  108  119  119  122  123  125  125  126 
LCS_GDT     E   110_B     E   110_B      4   17  126      3    5    8    9   14   42   66   90  111  116  117  117  117  119  119  122  123  125  125  126 
LCS_GDT     Y   111_B     Y   111_B     16   17  126      5   24   48  109  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     F   112_B     F   112_B     16   17  126     17   82  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     Y   113_B     Y   113_B     16   17  126     55  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     R   114_B     R   114_B     16   17  126     37  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     S   115_B     S   115_B     16   17  126     63  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     R   116_B     R   116_B     16   17  126     22  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     G   117_B     G   117_B     16   17  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     Q   118_B     Q   118_B     16   17  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     G   119_B     G   119_B     16   17  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     T   120_B     T   120_B     16   17  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     L   121_B     L   121_B     16   17  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     V   122_B     V   122_B     16   17  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     T   123_B     T   123_B     16   17  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     V   124_B     V   124_B     16   17  126     75  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     S   125_B     S   125_B     16   17  126     73  107  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_GDT     S   126_B     S   126_B     16   17  126      3   99  111  113  114  115  115  116  117  117  117  117  119  120  121  122  123  125  125  126 
LCS_AVERAGE  LCS_A:  77.91  (  66.11   67.62  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     75    107    111    113    114    115    115    116    117    117    117    117    119    120    121    122    123    125    125    126 
GDT PERCENT_AT  59.52  84.92  88.10  89.68  90.48  91.27  91.27  92.06  92.86  92.86  92.86  92.86  94.44  95.24  96.03  96.83  97.62  99.21  99.21 100.00
GDT RMS_LOCAL    0.31   0.47   0.54   0.61   0.64   0.71   0.71   0.81   0.99   0.99   0.99   0.99   1.75   2.06   2.33   2.60   2.59   3.17   3.17   3.45
GDT RMS_ALL_AT   3.75   3.75   3.76   3.78   3.77   3.77   3.77   3.77   3.73   3.73   3.73   3.73   3.62   3.57   3.53   3.51   3.51   3.46   3.46   3.45

# Checking swapping
#   possible swapping detected:  E     1_B      E     1_B
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  Y    32_B      Y    32_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   111_B      Y   111_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     1_B      E     1_B     2.202     0    0.374   0.875     5.924   61.905   57.831
LGA    V     2_B      V     2_B     1.417     0    0.042   0.211     2.053   83.810   80.408
LGA    Q     3_B      Q     3_B     0.657     0    0.122   0.544     3.035   95.238   77.672
LGA    L     4_B      L     4_B     0.157     0    0.088   0.441     1.244   97.619   94.167
LGA    Q     5_B      Q     5_B     0.283     0    0.086   1.213     4.228  100.000   82.169
LGA    E     6_B      E     6_B     0.362     0    0.034   0.518     1.548  100.000   93.810
LGA    S     7_B      S     7_B     0.535     0    0.052   0.731     1.957   95.238   90.714
LGA    G     8_B      G     8_B     0.608     0    0.694   0.694     3.498   80.476   80.476
LGA    G     9_B      G     9_B     0.391     0    0.123   0.123     0.708   95.238   95.238
LGA    G    10_B      G    10_B     0.649     0    0.080   0.080     0.714   90.476   90.476
LGA    L    11_B      L    11_B     0.682     0    0.030   0.746     1.528   90.476   86.071
LGA    V    12_B      V    12_B     0.740     0    0.060   0.225     1.027   90.476   89.184
LGA    Q    13_B      Q    13_B     0.775     0    0.080   1.379     3.776   90.476   79.312
LGA    P    14_B      P    14_B     0.881     0    0.071   0.170     1.120   88.214   86.599
LGA    G    15_B      G    15_B     0.791     0    0.119   0.119     0.791   90.476   90.476
LGA    G    16_B      G    16_B     0.551     0    0.026   0.026     0.625   92.857   92.857
LGA    S    17_B      S    17_B     0.358     0    0.084   0.691     2.404  100.000   94.127
LGA    L    18_B      L    18_B     0.155     0    0.042   1.365     2.867  100.000   85.893
LGA    R    19_B      R    19_B     0.162     0    0.127   0.830     3.240   97.619   84.762
LGA    L    20_B      L    20_B     0.116     0    0.058   0.453     1.253  100.000   94.167
LGA    S    21_B      S    21_B     0.406     0    0.034   0.202     0.524  100.000   98.413
LGA    C    22_B      C    22_B     0.422     0    0.044   0.102     0.534  100.000   98.413
LGA    A    23_B      A    23_B     0.473     0    0.084   0.094     0.724  100.000   98.095
LGA    A    24_B      A    24_B     0.228     0    0.036   0.068     0.534  100.000   98.095
LGA    S    25_B      S    25_B     0.672     0    0.024   0.623     1.673   92.857   89.127
LGA    G    26_B      G    26_B     0.717     0    0.055   0.055     1.066   88.214   88.214
LGA    F    27_B      F    27_B     0.879     0    0.035   0.211     0.879   90.476   93.074
LGA    R    28_B      R    28_B     0.754     0    0.168   1.532     6.234   90.476   61.385
LGA    F    29_B      F    29_B     0.786     0    0.037   0.219     1.095   95.238   92.251
LGA    S    30_B      S    30_B     0.506     0    0.037   0.603     1.996   92.857   89.127
LGA    S    31_B      S    31_B     0.949     0    0.155   0.617     1.681   92.857   89.127
LGA    Y    32_B      Y    32_B     0.543     0    0.040   0.155     1.416   95.238   88.294
LGA    W    33_B      W    33_B     0.140     0    0.042   1.256     5.642  100.000   72.925
LGA    M    34_B      M    34_B     0.436     0    0.042   0.923     3.232  100.000   89.048
LGA    Y    35_B      Y    35_B     0.469     0    0.036   1.327     8.958   95.238   58.254
LGA    W    36_B      W    36_B     0.318     0    0.012   0.150     0.728  100.000   98.639
LGA    V    37_B      V    37_B     0.348     0    0.060   1.056     2.801   97.619   87.483
LGA    R    38_B      R    38_B     0.408     0    0.064   0.865     2.068   97.619   90.909
LGA    Q    39_B      Q    39_B     0.096     0    0.030   0.200     0.734  100.000   98.942
LGA    A    40_B      A    40_B     0.050     0    0.029   0.031     0.292  100.000  100.000
LGA    P    41_B      P    41_B     0.408     0    0.076   0.117     1.164  100.000   94.626
LGA    G    42_B      G    42_B     0.850     0    0.078   0.078     1.579   83.810   83.810
LGA    K    43_B      K    43_B     0.647     0    0.023   0.629     2.224   90.476   85.608
LGA    G    44_B      G    44_B     0.548     0    0.082   0.082     0.626   95.238   95.238
LGA    L    45_B      L    45_B     0.545     0    0.072   1.163     3.156   90.476   80.000
LGA    E    46_B      E    46_B     0.340     0    0.024   0.687     3.031   95.238   85.238
LGA    W    47_B      W    47_B     0.451     0    0.087   0.249     1.935   95.238   87.381
LGA    V    48_B      V    48_B     0.124     0    0.068   0.093     0.490  100.000  100.000
LGA    S    49_B      S    49_B     0.227     0    0.041   0.254     1.066  100.000   96.905
LGA    A    50_B      A    50_B     0.267     0    0.022   0.030     0.580  100.000   98.095
LGA    I    51_B      I    51_B     0.424     0    0.029   0.102     0.671   95.238   97.619
LGA    N    52_B      N    52_B     0.367     0    0.045   0.884     4.102   97.619   80.298
LGA    S    53_B      S    53_B     0.679     0    0.007   0.308     2.123   88.214   84.683
LGA    S    54_B      S    54_B     1.290     0    0.094   0.099     2.193   79.524   77.302
LGA    G    55_B      G    55_B     0.661     0    0.701   0.701     2.350   84.048   84.048
LGA    G    56_B      G    56_B     2.216     0    0.224   0.224     2.232   80.000   80.000
LGA    Y    57_B      Y    57_B     0.558     0    0.240   1.430     7.800   92.857   60.595
LGA    T    58_B      T    58_B     0.274     0    0.023   1.091     2.733  100.000   90.000
LGA    R    59_B      R    59_B     0.217     0    0.039   1.444     5.801  100.000   71.775
LGA    Y    60_B      Y    60_B     0.269     0    0.061   0.270     1.128  100.000   93.730
LGA    A    61_B      A    61_B     0.479     0    0.105   0.116     0.574   97.619   96.190
LGA    D    62_B      D    62_B     0.484     0    0.071   0.960     3.521   97.619   80.774
LGA    S    63_B      S    63_B     0.205     0    0.046   0.062     0.265  100.000  100.000
LGA    V    64_B      V    64_B     0.135     0    0.098   0.097     0.569   97.619   97.279
LGA    K    65_B      K    65_B     0.199     0    0.020   1.339     6.350  100.000   77.989
LGA    G    66_B      G    66_B     0.413     0    0.141   0.141     1.113   92.976   92.976
LGA    R    67_B      R    67_B     0.533     0    0.059   0.297     1.176   92.857   90.519
LGA    F    68_B      F    68_B     0.492     0    0.073   0.424     1.320   92.857   89.697
LGA    T    69_B      T    69_B     0.324     0    0.142   0.154     0.661   97.619   98.639
LGA    I    70_B      I    70_B     0.546     0    0.023   0.147     0.765   95.238   92.857
LGA    S    71_B      S    71_B     0.597     0    0.018   0.680     2.172   95.238   89.365
LGA    R    72_B      R    72_B     0.358     0    0.024   0.427     1.273  100.000   94.892
LGA    D    73_B      D    73_B     0.113     0    0.023   0.275     0.753  100.000   98.810
LGA    N    74_B      N    74_B     0.091     0    0.069   0.816     2.340  100.000   92.083
LGA    A    75_B      A    75_B     0.282     0    0.024   0.032     0.525  100.000   98.095
LGA    K    76_B      K    76_B     0.310     0    0.133   0.330     3.057  100.000   87.407
LGA    N    77_B      N    77_B     0.441     0    0.053   0.237     1.248   97.619   94.107
LGA    T    78_B      T    78_B     0.379     0    0.060   0.116     0.890  100.000   98.639
LGA    L    79_B      L    79_B     0.348     0    0.025   0.079     0.739  100.000   96.429
LGA    Y    80_B      Y    80_B     0.186     0    0.078   0.259     0.867   97.619   96.032
LGA    L    81_B      L    81_B     0.163     0    0.026   0.194     0.425  100.000  100.000
LGA    Q    82_B      Q    82_B     0.113     0    0.052   0.358     0.798  100.000   97.884
LGA    M    83_B      M    83_B     0.418     0    0.045   0.610     1.614  100.000   93.036
LGA    N    84_B      N    84_B     0.180     0    0.059   0.323     0.810   97.619   96.429
LGA    S    85_B      S    85_B     0.715     0    0.039   0.693     2.212   90.476   86.190
LGA    L    86_B      L    86_B     0.355     0    0.037   0.339     1.131   97.619   94.107
LGA    R    87_B      R    87_B     0.450     0    0.043   1.213     2.738  100.000   82.987
LGA    A    88_B      A    88_B     0.196     0    0.079   0.096     0.448  100.000  100.000
LGA    E    89_B      E    89_B     0.421     0    0.073   0.551     1.705  100.000   90.847
LGA    D    90_B      D    90_B     0.209     0    0.069   0.110     0.574  100.000   97.619
LGA    T    91_B      T    91_B     0.128     0    0.026   0.076     0.425  100.000  100.000
LGA    A    92_B      A    92_B     0.138     0    0.036   0.068     0.234  100.000  100.000
LGA    V    93_B      V    93_B     0.207     0    0.029   0.199     0.722  100.000   98.639
LGA    Y    94_B      Y    94_B     0.294     0    0.116   0.126     0.868   97.619   99.206
LGA    Y    95_B      Y    95_B     0.304     0    0.035   0.238     0.676  100.000   97.619
LGA    C    96_B      C    96_B     0.407     0    0.048   0.541     1.141  100.000   95.317
LGA    A    97_B      A    97_B     0.160     0    0.057   0.087     0.195  100.000  100.000
LGA    T    98_B      T    98_B     0.568     0    0.082   1.034     2.624   92.857   83.401
LGA    D    99_B      D    99_B     2.113     0    0.512   1.124     6.058   68.929   51.607
LGA    S   100_B      S   100_B     4.140     0    0.701   0.729     7.216   37.262   28.730
LGA    G   101_B      G   101_B     6.479     0    0.231   0.231     8.763   11.548   11.548
LGA    D   102_B      D   102_B    11.151     0    0.522   0.993    14.984    0.357    0.179
LGA    G   103_B      G   103_B    16.718     0    0.650   0.650    17.719    0.000    0.000
LGA    K   104_B      K   104_B    18.184     0    0.077   1.263    18.950    0.000    0.000
LGA    R   105_B      R   105_B    16.137     0    0.072   0.905    17.402    0.000    0.000
LGA    Y   106_B      Y   106_B    12.980     0    0.640   1.291    13.780    0.000    0.000
LGA    W   107_B      W   107_B    11.964     0    0.537   0.590    14.117    0.000    1.633
LGA    S   108_B      S   108_B    13.209     0    0.734   0.916    14.218    0.000    0.000
LGA    G   109_B      G   109_B    11.612     0    0.705   0.705    11.733    1.548    1.548
LGA    E   110_B      E   110_B     7.406     0    0.023   1.396    12.107   22.262    9.947
LGA    Y   111_B      Y   111_B     3.389     0    0.050   1.382     8.075   45.833   38.929
LGA    F   112_B      F   112_B     1.564     0    0.056   1.093     6.870   68.810   46.753
LGA    Y   113_B      Y   113_B     0.776     0    0.260   1.276     7.778   86.071   61.746
LGA    R   114_B      R   114_B     0.964     0    0.061   1.688     8.897   90.476   55.455
LGA    S   115_B      S   115_B     0.657     0    0.004   0.677     2.306   95.238   89.365
LGA    R   116_B      R   116_B     0.834     0    0.069   1.009     3.200   90.476   78.009
LGA    G   117_B      G   117_B     0.304     0    0.093   0.093     0.430  100.000  100.000
LGA    Q   118_B      Q   118_B     0.369     0    0.055   0.941     4.422   97.619   79.418
LGA    G   119_B      G   119_B     0.301     0    0.032   0.032     0.640   97.619   97.619
LGA    T   120_B      T   120_B     0.504     0    0.019   0.130     0.897   97.619   94.558
LGA    L   121_B      L   121_B     0.377     0    0.032   1.225     3.281  100.000   87.976
LGA    V   122_B      V   122_B     0.213     0    0.022   0.176     0.556  100.000   97.279
LGA    T   123_B      T   123_B     0.199     0    0.065   0.504     1.333  100.000   94.694
LGA    V   124_B      V   124_B     0.124     0    0.000   0.087     0.662  100.000   98.639
LGA    S   125_B      S   125_B     0.714     0    0.125   0.530     1.349   95.238   90.635
LGA    S   126_B      S   126_B     1.398     0    0.114   0.653     5.640   73.690   58.889

# 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):     3.451          3.399                  3.847           86.896   80.829

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  126    4.0    116    0.81    90.873    85.355    12.817

LGA_LOCAL      RMSD:   0.805  Number of atoms:  116  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.767  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   3.451  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.175533 * X  +  -0.630741 * Y  +  -0.755879 * Z  +   6.400949
  Y_new =  -0.982177 * X  +  -0.059782 * Y  +  -0.178199 * Z  +  -1.311001
  Z_new =   0.067210 * X  +   0.773687 * Y  +  -0.629993 * Z  + -11.974562 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.393945 -0.067260  2.254181   [DEG:  -79.8672   -3.8537  129.1550 ]
ZXZ: -1.339273  2.252341  0.086652   [DEG:  -76.7347  129.0496    4.9648 ]
 
# END of job
