
#######################################################
#                                                     #
#                        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  128 (  979),  selected  128 , name one
# Molecule2: number of CA atoms  128 (  979),  selected  128 , 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:   128       1_B - 128_B       2.08     2.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105       1_B - 105_B       1.99     2.09
  LCS_AVERAGE:     70.27

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70      32_B - 101_B       0.95     2.16
  LCS_AVERAGE:     37.78

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  128
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     Q     1_B     Q     1_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     28  105  128      7   95  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     28  105  128     60   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     28  105  128     23   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     28  105  128     14   96  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     28  105  128      6   96  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     28  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     28  105  128     47   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     28  105  128      6   79  105  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B     28  105  128      3    8   19   82  111  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      4  105  128      3    3    6    8   11   19   46   77  118  123  124  126  127  127  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B      3  105  128      6   13   52  100  113  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B     22  105  128      3    3    3    6   25  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     70  105  128      5   69  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     70  105  128     61   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     70  105  128     47   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     70  105  128     35   96  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     70  105  128     11   91  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     70  105  128     62   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     70  105  128     44   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     70  105  128     41   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     70  105  128     49   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     70  105  128     50   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     70  105  128      3    9   36   50   96  115  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     70  105  128     59   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     70  105  128      3    5    5    6   44  109  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     70  105  128      6   18   84  111  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     70  105  128      6   52  105  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     70  105  128     50   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     70  105  128     50   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     70  105  128     62   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     70  105  128     62   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     70  105  128     65   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     70  105  128     56   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     70  105  128     57   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     70  105  128     53   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     70  105  128     65   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     70  105  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     70  105  128     56   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     70  105  128     21   88  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     47  105  128      4   22   84  107  114  115  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B      9  105  128      4    4   10   17   25   69  108  118  120  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B      5  105  128      4    4    6   12   13   21   25   37   45   75  102  124  124  126  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B      4  105  128      4    9   13   27   60   95  113  118  120  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      4    4  128      3    4    6    9   25   36  114  118  120  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      4   22  128      3    4    5    5    5    8   21   49   60  114  122  125  127  127  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B      4   22  128      3    4   29   72  110  116  119  122  122  123  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     20   22  128      3   81  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     20   22  128      6   75  108  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     20   22  128     12   92  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     20   22  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     20   22  128     41   95  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     20   22  128     21   93  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     20   22  128     56   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     20   22  128     52   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     20   22  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     20   22  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     20   22  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     20   22  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     20   22  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     20   22  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     20   22  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     20   22  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     20   22  128     66   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     20   22  128     54   97  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     20   22  128     23   96  109  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     20   22  128     14   56  108  114  115  117  119  122  122  124  125  126  127  127  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  69.35  (  37.78   70.27  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     66     97    109    114    115    117    119    122    122    124    125    126    127    127    128    128    128    128    128    128 
GDT PERCENT_AT  51.56  75.78  85.16  89.06  89.84  91.41  92.97  95.31  95.31  96.88  97.66  98.44  99.22  99.22 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.50   0.65   0.75   0.79   0.92   1.02   1.18   1.18   1.60   1.64   1.72   1.85   1.85   2.08   2.08   2.08   2.08   2.08   2.08
GDT RMS_ALL_AT   2.15   2.15   2.13   2.14   2.15   2.16   2.17   2.15   2.15   2.09   2.09   2.09   2.08   2.08   2.08   2.08   2.08   2.08   2.08   2.08

# Checking swapping
#   possible swapping detected:  Y    27_B      Y    27_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  E   107_B      E   107_B
#   possible swapping detected:  Y   115_B      Y   115_B
#   possible swapping detected:  Y   117_B      Y   117_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     0.358     0    0.088   1.262     5.342  100.000   74.233
LGA    V     2_B      V     2_B     0.207     0    0.018   0.072     0.675  100.000   97.279
LGA    Q     3_B      Q     3_B     0.090     0    0.032   0.998     3.531  100.000   85.926
LGA    L     4_B      L     4_B     0.092     0    0.018   0.078     0.202  100.000  100.000
LGA    V     5_B      V     5_B     0.233     0    0.059   0.113     0.624  100.000   98.639
LGA    E     6_B      E     6_B     0.130     0    0.020   0.369     1.067  100.000   96.878
LGA    S     7_B      S     7_B     0.147     0    0.038   0.053     0.217  100.000  100.000
LGA    G     8_B      G     8_B     0.184     0    0.029   0.029     0.293  100.000  100.000
LGA    G     9_B      G     9_B     0.228     0    0.142   0.142     0.334  100.000  100.000
LGA    G    10_B      G    10_B     1.212     0    0.057   0.057     1.212   90.595   90.595
LGA    S    11_B      S    11_B     0.566     0    0.230   0.550     2.891   81.786   79.127
LGA    V    12_B      V    12_B     0.875     0    0.130   1.123     2.552   88.214   80.748
LGA    Q    13_B      Q    13_B     1.388     0    0.038   1.198     4.724   81.429   65.344
LGA    A    14_B      A    14_B     1.220     0    0.086   0.093     1.306   85.952   85.048
LGA    G    15_B      G    15_B     0.475     0    0.098   0.098     0.672   97.619   97.619
LGA    G    16_B      G    16_B     0.469     0    0.046   0.046     0.469  100.000  100.000
LGA    S    17_B      S    17_B     0.516     0    0.087   0.698     1.589   92.857   89.127
LGA    L    18_B      L    18_B     0.373     0    0.033   1.347     2.946  100.000   87.917
LGA    R    19_B      R    19_B     0.373     0    0.067   0.853     2.593  100.000   86.883
LGA    L    20_B      L    20_B     0.227     0    0.033   0.103     0.338  100.000  100.000
LGA    S    21_B      S    21_B     0.311     0    0.050   0.090     0.611   97.619   98.413
LGA    C    22_B      C    22_B     0.603     0    0.052   0.086     1.192   92.857   90.556
LGA    A    23_B      A    23_B     0.694     0    0.090   0.104     0.719   90.476   90.476
LGA    A    24_B      A    24_B     0.281     0    0.052   0.055     0.341  100.000  100.000
LGA    S    25_B      S    25_B     0.341     0    0.055   0.605     2.029   92.976   89.444
LGA    G    26_B      G    26_B     1.061     0    0.056   0.056     1.800   81.548   81.548
LGA    Y    27_B      Y    27_B     1.967     0    0.600   0.843     4.950   56.786   69.008
LGA    T    28_B      T    28_B     3.958     0    0.536   1.283     7.530   38.333   28.571
LGA    Y    29_B      Y    29_B     5.962     0    0.633   1.358    13.074   27.619    9.841
LGA    S    30_B      S    30_B     3.531     0    0.623   0.693     4.608   40.476   43.651
LGA    M    31_B      M    31_B     3.365     0    0.658   0.730    10.518   59.405   34.821
LGA    Y    32_B      Y    32_B     1.854     0    0.551   1.503    13.038   72.976   31.071
LGA    C    33_B      C    33_B     0.551     0    0.057   0.235     2.187   95.238   87.857
LGA    M    34_B      M    34_B     0.569     0    0.042   0.900     4.166   92.857   81.786
LGA    G    35_B      G    35_B     0.734     0    0.045   0.045     0.734   90.476   90.476
LGA    W    36_B      W    36_B     0.417     0    0.064   0.054     0.589  100.000   97.959
LGA    F    37_B      F    37_B     0.431     0    0.042   0.141     0.542  100.000   98.268
LGA    R    38_B      R    38_B     0.259     0    0.043   0.559     1.489  100.000   94.026
LGA    Q    39_B      Q    39_B     0.366     0    0.048   0.490     1.358   95.238   93.757
LGA    A    40_B      A    40_B     1.237     0    0.036   0.045     1.328   85.952   85.048
LGA    P    41_B      P    41_B     1.460     0    0.028   0.125     1.841   83.810   79.116
LGA    G    42_B      G    42_B     0.593     0    0.304   0.304     1.333   88.214   88.214
LGA    K    43_B      K    43_B     0.263     0    0.092   1.006     4.781  100.000   73.016
LGA    E    44_B      E    44_B     0.141     0    0.061   1.053     5.185  100.000   74.603
LGA    R    45_B      R    45_B     0.620     0    0.037   0.817     3.024   92.857   82.900
LGA    E    46_B      E    46_B     0.918     0    0.031   0.318     1.708   90.476   87.513
LGA    G    47_B      G    47_B     0.816     0    0.039   0.039     0.926   90.476   90.476
LGA    V    48_B      V    48_B     0.086     0    0.020   0.091     0.788  100.000   97.279
LGA    A    49_B      A    49_B     0.837     0    0.061   0.074     1.056   90.476   88.667
LGA    G    50_B      G    50_B     0.310     0    0.063   0.063     0.491  100.000  100.000
LGA    I    51_B      I    51_B     0.160     0    0.072   0.087     0.814  100.000   97.619
LGA    C    52_B      C    52_B     0.842     0    0.016   0.803     5.874   78.333   65.317
LGA    A    53_B      A    53_B     3.672     0    0.477   0.448     5.337   48.095   43.714
LGA    N    54_B      N    54_B     0.615     0    0.276   0.859     3.857   73.929   65.833
LGA    G    55_B      G    55_B     3.903     0    0.122   0.122     3.903   55.714   55.714
LGA    K    56_B      K    56_B     2.685     0    0.372   0.631     7.316   62.976   40.000
LGA    A    57_B      A    57_B     2.102     0    0.164   0.173     2.174   68.810   68.000
LGA    I    58_B      I    58_B     0.869     0    0.099   1.381     3.437   88.214   76.905
LGA    H    59_B      H    59_B     0.810     0    0.033   1.180     5.164   92.857   68.571
LGA    Y    60_B      Y    60_B     0.524     0    0.015   0.201     0.928   90.476   92.857
LGA    V    61_B      V    61_B     0.625     0    0.046   0.084     0.851   90.476   90.476
LGA    D    62_B      D    62_B     0.570     0    0.037   0.222     0.930   90.476   90.476
LGA    S    63_B      S    63_B     0.930     0    0.222   0.644     1.623   88.214   84.524
LGA    V    64_B      V    64_B     0.544     0    0.100   0.238     0.847   90.476   91.837
LGA    K    65_B      K    65_B     0.458     0    0.033   0.498     0.998   95.238   93.651
LGA    G    66_B      G    66_B     0.617     0    0.126   0.126     0.622   90.476   90.476
LGA    R    67_B      R    67_B     0.613     0    0.026   0.240     0.893   90.476   91.342
LGA    F    68_B      F    68_B     0.542     0    0.014   0.317     1.147   92.857   92.294
LGA    T    69_B      T    69_B     0.451     0    0.079   0.081     0.719   97.619   98.639
LGA    I    70_B      I    70_B     0.251     0    0.027   0.622     2.028  100.000   95.595
LGA    S    71_B      S    71_B     0.178     0    0.039   0.083     0.353  100.000  100.000
LGA    Q    72_B      Q    72_B     0.526     0    0.050   1.048     3.136   92.857   83.069
LGA    D    73_B      D    73_B     0.564     0    0.051   0.351     1.437   92.857   90.536
LGA    N    74_B      N    74_B     0.732     0    0.029   1.074     3.076   90.476   83.155
LGA    A    75_B      A    75_B     0.839     0    0.037   0.044     0.923   90.476   90.476
LGA    K    76_B      K    76_B     0.441     0    0.026   0.414     1.605   97.619   93.862
LGA    N    77_B      N    77_B     0.531     0    0.048   0.382     2.328   97.619   88.571
LGA    T    78_B      T    78_B     0.306     0    0.012   0.103     0.567  100.000   98.639
LGA    V    79_B      V    79_B     0.227     0    0.037   1.096     2.328  100.000   88.571
LGA    Y    80_B      Y    80_B     0.253     0    0.021   0.077     0.555  100.000   96.825
LGA    L    81_B      L    81_B     0.384     0    0.077   0.089     0.467  100.000  100.000
LGA    Q    82_B      Q    82_B     0.593     0    0.059   0.117     1.098   90.476   89.471
LGA    M    83_B      M    83_B     0.580     0    0.132   0.176     0.796   95.238   94.048
LGA    N    84_B      N    84_B     0.507     0    0.040   0.099     0.680   92.857   91.667
LGA    S    85_B      S    85_B     0.460     0    0.043   0.050     0.745  100.000   96.825
LGA    L    86_B      L    86_B     0.352     0    0.027   0.234     0.589   97.619   96.429
LGA    K    87_B      K    87_B     0.579     0    0.050   0.097     0.836   92.857   91.534
LGA    P    88_B      P    88_B     0.610     0    0.071   0.256     0.967   92.857   93.197
LGA    E    89_B      E    89_B     0.722     0    0.049   1.217     4.191   90.476   71.958
LGA    D    90_B      D    90_B     0.490     0    0.037   0.147     0.571  100.000   98.810
LGA    T    91_B      T    91_B     0.262     0    0.014   0.086     0.475  100.000  100.000
LGA    A    92_B      A    92_B     0.303     0    0.046   0.046     0.381  100.000  100.000
LGA    M    93_B      M    93_B     0.404     0    0.076   1.179     4.784   97.619   83.690
LGA    Y    94_B      Y    94_B     0.331     0    0.036   0.084     0.422  100.000  100.000
LGA    Y    95_B      Y    95_B     0.345     0    0.023   0.137     0.837  100.000   95.238
LGA    C    96_B      C    96_B     0.298     0    0.040   0.109     0.465  100.000  100.000
LGA    A    97_B      A    97_B     0.191     0    0.019   0.042     0.454  100.000  100.000
LGA    A    98_B      A    98_B     0.247     0    0.031   0.074     0.311  100.000  100.000
LGA    D    99_B      D    99_B     0.278     0    0.054   0.508     1.672  100.000   95.417
LGA    S   100_B      S   100_B     0.985     0    0.078   0.575     2.669   85.952   80.397
LGA    R   101_B      R   101_B     1.636     0    0.175   1.121     8.758   75.000   49.481
LGA    G   102_B      G   102_B     3.662     0    0.159   0.159     5.279   40.119   40.119
LGA    G   103_B      G   103_B     8.169     0    0.069   0.069     8.917    6.429    6.429
LGA    I   104_B      I   104_B    11.827     0    0.581   0.743    17.809    0.119    0.060
LGA    W   105_B      W   105_B     7.905     0    0.285   0.937    10.963    7.143    7.075
LGA    Y   106_B      Y   106_B     7.258     0    0.302   0.786    14.388   11.667    4.206
LGA    E   107_B      E   107_B     8.147     0    0.161   1.230    14.592    8.214    3.968
LGA    Q   108_B      Q   108_B     3.867     0    0.652   1.117     9.194   45.238   29.312
LGA    Q   109_B      Q   109_B     1.626     0    0.171   1.062     4.691   77.143   64.921
LGA    L   110_B      L   110_B     1.582     0    0.200   0.169     4.513   77.143   62.143
LGA    S   111_B      S   111_B     1.233     0    0.053   0.769     1.959   85.952   83.016
LGA    T   112_B      T   112_B     0.123     0    0.074   1.206     2.587   97.619   86.395
LGA    L   113_B      L   113_B     1.296     0    0.056   0.135     2.019   81.548   76.190
LGA    R   114_B      R   114_B     1.609     0    0.033   0.864     2.421   75.000   74.502
LGA    Y   115_B      Y   115_B     0.947     0    0.044   0.162     1.395   85.952   85.198
LGA    N   116_B      N   116_B     0.933     0    0.070   1.087     3.773   90.476   81.250
LGA    Y   117_B      Y   117_B     0.446     0    0.036   0.333     2.360  100.000   84.167
LGA    W   118_B      W   118_B     0.323     0    0.054   0.130     0.995  100.000   93.878
LGA    G   119_B      G   119_B     0.411     0    0.057   0.057     0.428  100.000  100.000
LGA    Q   120_B      Q   120_B     0.179     0    0.130   1.269     5.528   97.619   75.556
LGA    G   121_B      G   121_B     0.566     0    0.078   0.078     0.803   92.857   92.857
LGA    T   122_B      T   122_B     0.431     0    0.031   0.121     0.633  100.000   98.639
LGA    Q   123_B      Q   123_B     0.386     0    0.025   0.768     1.768  100.000   89.788
LGA    V   124_B      V   124_B     0.190     0    0.052   0.166     0.628  100.000   98.639
LGA    T   125_B      T   125_B     0.435     0    0.042   0.478     1.429   95.238   91.973
LGA    V   126_B      V   126_B     0.707     0    0.028   0.089     0.983   92.857   91.837
LGA    S   127_B      S   127_B     1.302     0    0.060   0.649     1.882   77.143   77.143
LGA    S   128_B      S   128_B     1.839     0    0.526   0.771     2.110   75.000   71.587

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      128     512    512  100.00     979    979  100.00               128
SUMMARY(RMSD_GDC):     2.077          2.025                  3.040           86.286   81.096

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    122    1.18    90.039    86.383     9.543

LGA_LOCAL      RMSD:   1.178  Number of atoms:  122  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.153  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   2.077  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.892430 * X  +   0.400619 * Y  +  -0.207541 * Z  +  11.037013
  Y_new =   0.199277 * X  +   0.062704 * Y  +   0.977935 * Z  + -42.606670
  Z_new =   0.404793 * X  +  -0.914096 * Y  +  -0.023876 * Z  +  62.944744 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.219693 -0.416753 -1.596910   [DEG:   12.5875  -23.8782  -91.4962 ]
ZXZ: -2.932472  1.594674  2.724714   [DEG: -168.0183   91.3681  156.1146 ]
 
# END of job
