
#######################################################
#                                                     #
#                        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       2.19     2.19
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105       1_B - 105_B       1.95     2.19
  LCS_AVERAGE:     70.26

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72      30_B - 101_B       0.94     2.26
  LCS_AVERAGE:     38.23

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      6   91  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     28  105  128     77  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     28  105  128     51  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     28  105  128     34  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     28  105  128     60  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     28  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     28  105  128     25   98  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     28  105  128     23   93  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B     28  105  128      3    8   20   69  111  114  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      3  105  128      3    3    6    8   12   40   61   93  120  121  123  124  126  127  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B     72  105  128      3   12   46  106  112  114  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B     72  105  128      3    3    3   60  108  114  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     72  105  128     62  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     72  105  128     16   83  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     72  105  128      6   34  106  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     72  105  128      6  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     72  105  128      3    5   10   44  111  115  117  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     72  105  128     60  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     72  105  128     78  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     72  105  128     63  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     72  105  128     28  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     72  105  128     78  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     72  105  128     78  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     72  105  128     73  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     72  105  128     35  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     72  105  128     35  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     72  105  128     78  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     72  105  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     72  105  128     74  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     72  105  128      3   77  104  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     72  105  128     14   60  102  109  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B      3  105  128      3    3   10   23   38   69  105  113  119  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B      4  105  128      4    5    7   11   12   17   34   43   87  116  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B      4  105  128      3    5    7   11   25   30   45  106  116  120  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B      4  105  128      4    5   24   55   87  107  113  116  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      4   75  128      4    5    7   14   25  100  113  115  119  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      3    6  128      3    4    6    6    9    9   12   29   60   72  103  122  124  126  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B      3    6  128      3    4    4    5    6  105  114  117  119  120  122  124  126  127  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B      3   20  128      0   43  106  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B      3   20  128      1    3    5   13   43   81  118  118  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B      3   20  128      3   16   95  109  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     16   20  128     39   98  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     16   20  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     16   20  128      3    4   38   96  111  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     16   20  128     61  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     16   20  128     62  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     16   20  128     70  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     16   20  128     78  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     16   20  128     78  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     16   20  128     70  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     16   20  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     16   20  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     16   20  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     16   20  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     16   20  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     16   20  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     16   20  128     80  100  107  110  113  115  118  119  120  122  123  125  126  127  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B      3   20  128      3   22   47   65  104  114  117  119  120  121  123  125  126  127  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  69.50  (  38.23   70.26  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     80    100    107    110    113    115    118    119    120    122    123    125    126    127    128    128    128    128    128    128 
GDT PERCENT_AT  62.50  78.12  83.59  85.94  88.28  89.84  92.19  92.97  93.75  95.31  96.09  97.66  98.44  99.22 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.44   0.54   0.61   0.74   0.86   1.09   1.10   1.19   1.53   1.58   1.92   1.88   2.05   2.19   2.19   2.19   2.19   2.19   2.19
GDT RMS_ALL_AT   2.27   2.27   2.28   2.28   2.26   2.24   2.26   2.27   2.26   2.20   2.20   2.19   2.19   2.19   2.19   2.19   2.19   2.19   2.19   2.19

# Checking swapping
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    44_B      E    44_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  D    99_B      D    99_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  E   107_B      E   107_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     1.723     0    0.165   0.293     5.126   77.143   56.720
LGA    V     2_B      V     2_B     0.691     0    0.075   0.770     2.830   88.214   83.129
LGA    Q     3_B      Q     3_B     0.196     0    0.036   0.515     1.999  100.000   93.862
LGA    L     4_B      L     4_B     0.251     0    0.060   0.793     1.902  100.000   93.214
LGA    V     5_B      V     5_B     0.141     0    0.128   0.163     0.574   97.619   98.639
LGA    E     6_B      E     6_B     0.355     0    0.021   0.572     1.675  100.000   92.804
LGA    S     7_B      S     7_B     0.349     0    0.044   0.685     2.396  100.000   94.127
LGA    G     8_B      G     8_B     0.340     0    0.026   0.026     0.488  100.000  100.000
LGA    G     9_B      G     9_B     0.321     0    0.057   0.057     0.431  100.000  100.000
LGA    G    10_B      G    10_B     0.746     0    0.051   0.051     0.746   95.238   95.238
LGA    S    11_B      S    11_B     0.236     0    0.192   0.233     1.392   92.976   92.143
LGA    V    12_B      V    12_B     0.453     0    0.119   0.258     0.909   97.619   94.558
LGA    Q    13_B      Q    13_B     0.311     0    0.045   0.617     2.723   97.619   82.434
LGA    A    14_B      A    14_B     0.628     0    0.068   0.080     0.928   97.619   96.190
LGA    G    15_B      G    15_B     0.477     0    0.081   0.081     0.619   97.619   97.619
LGA    G    16_B      G    16_B     0.358     0    0.044   0.044     0.388  100.000  100.000
LGA    S    17_B      S    17_B     0.480     0    0.075   0.704     1.840   97.619   92.302
LGA    L    18_B      L    18_B     0.418     0    0.033   0.776     2.469  100.000   93.214
LGA    R    19_B      R    19_B     0.344     0    0.116   0.789     2.921   97.619   82.900
LGA    L    20_B      L    20_B     0.234     0    0.033   0.134     0.358  100.000  100.000
LGA    S    21_B      S    21_B     0.115     0    0.042   0.659     2.184  100.000   94.127
LGA    C    22_B      C    22_B     0.202     0    0.068   0.103     0.468  100.000  100.000
LGA    A    23_B      A    23_B     0.807     0    0.104   0.120     0.999   90.476   90.476
LGA    A    24_B      A    24_B     0.505     0    0.030   0.044     0.792   90.476   90.476
LGA    S    25_B      S    25_B     0.483     0    0.071   0.680     1.607   95.238   90.714
LGA    G    26_B      G    26_B     1.362     0    0.147   0.147     1.929   79.405   79.405
LGA    Y    27_B      Y    27_B     1.779     0    0.581   0.657     4.770   58.571   57.817
LGA    T    28_B      T    28_B     3.928     0    0.521   1.279     7.680   38.333   28.571
LGA    Y    29_B      Y    29_B     5.674     0    0.629   1.268    12.922   29.048   10.635
LGA    S    30_B      S    30_B     3.357     0    0.627   0.705     4.744   43.690   46.984
LGA    M    31_B      M    31_B     3.426     0    0.634   0.831     9.314   59.167   35.714
LGA    Y    32_B      Y    32_B     0.973     0    0.459   1.017     6.361   79.524   53.929
LGA    C    33_B      C    33_B     0.274     0    0.035   0.243     0.747  100.000   98.413
LGA    M    34_B      M    34_B     0.243     0    0.072   1.040     3.709  100.000   88.333
LGA    G    35_B      G    35_B     0.276     0    0.061   0.061     0.376  100.000  100.000
LGA    W    36_B      W    36_B     0.186     0    0.053   0.067     0.442  100.000  100.000
LGA    F    37_B      F    37_B     0.336     0    0.052   0.133     0.477  100.000  100.000
LGA    R    38_B      R    38_B     0.377     0    0.068   0.156     0.793  100.000   99.134
LGA    Q    39_B      Q    39_B     0.389     0    0.064   0.536     2.516   95.238   90.000
LGA    A    40_B      A    40_B     1.722     0    0.057   0.078     1.977   77.143   76.286
LGA    P    41_B      P    41_B     1.792     0    0.534   0.650     3.054   71.071   65.170
LGA    G    42_B      G    42_B     1.030     0    0.110   0.110     1.945   83.810   83.810
LGA    K    43_B      K    43_B     0.284     0    0.098   0.576     2.928  100.000   84.444
LGA    E    44_B      E    44_B     0.318     0    0.039   0.923     4.464  100.000   75.820
LGA    R    45_B      R    45_B     0.528     0    0.036   0.991     4.877   92.857   78.268
LGA    E    46_B      E    46_B     0.637     0    0.107   0.706     1.779   90.476   85.556
LGA    G    47_B      G    47_B     0.323     0    0.075   0.075     0.623   97.619   97.619
LGA    V    48_B      V    48_B     0.166     0    0.020   0.086     0.450  100.000  100.000
LGA    A    49_B      A    49_B     0.202     0    0.049   0.055     0.239  100.000  100.000
LGA    G    50_B      G    50_B     0.347     0    0.078   0.078     0.347  100.000  100.000
LGA    I    51_B      I    51_B     0.213     0    0.039   0.077     0.647  100.000   97.619
LGA    C    52_B      C    52_B     0.474     0    0.055   0.778     4.240   84.405   73.254
LGA    A    53_B      A    53_B     3.319     0    0.441   0.409     5.009   54.286   48.667
LGA    N    54_B      N    54_B     0.849     0    0.288   0.425     3.295   97.619   80.357
LGA    G    55_B      G    55_B     0.435     0    0.111   0.111     0.618   95.238   95.238
LGA    K    56_B      K    56_B     0.609     0    0.136   0.581     1.448   88.214   87.460
LGA    A    57_B      A    57_B     0.978     0    0.135   0.146     1.182   88.214   86.857
LGA    I    58_B      I    58_B     0.821     0    0.073   0.082     0.941   90.476   90.476
LGA    H    59_B      H    59_B     0.685     0    0.047   1.273     5.627   95.238   66.429
LGA    Y    60_B      Y    60_B     0.357     0    0.049   0.119     0.442  100.000  100.000
LGA    V    61_B      V    61_B     0.407     0    0.057   1.266     2.779  100.000   87.483
LGA    D    62_B      D    62_B     0.548     0    0.066   0.210     1.482   95.238   89.464
LGA    S    63_B      S    63_B     0.612     0    0.177   0.599     1.269   90.476   87.460
LGA    V    64_B      V    64_B     0.361     0    0.106   0.236     0.623  100.000   95.918
LGA    K    65_B      K    65_B     0.271     0    0.033   0.840     3.922  100.000   80.476
LGA    G    66_B      G    66_B     0.226     0    0.120   0.120     0.628   97.619   97.619
LGA    R    67_B      R    67_B     0.183     0    0.022   0.383     1.067  100.000   96.580
LGA    F    68_B      F    68_B     0.234     0    0.017   0.363     1.279  100.000   94.026
LGA    T    69_B      T    69_B     0.222     0    0.025   0.088     0.370  100.000  100.000
LGA    I    70_B      I    70_B     0.216     0    0.020   0.101     0.409  100.000  100.000
LGA    S    71_B      S    71_B     0.115     0    0.036   0.062     0.438  100.000  100.000
LGA    Q    72_B      Q    72_B     0.473     0    0.036   1.073     3.003   95.238   87.090
LGA    D    73_B      D    73_B     0.721     0    0.035   0.268     1.123   90.476   89.345
LGA    N    74_B      N    74_B     0.972     0    0.020   1.131     3.654   88.214   78.988
LGA    A    75_B      A    75_B     1.164     0    0.034   0.039     1.314   85.952   85.048
LGA    K    76_B      K    76_B     0.257     0    0.041   0.161     1.138   97.619   92.698
LGA    N    77_B      N    77_B     0.372     0    0.036   1.256     4.809  100.000   80.714
LGA    T    78_B      T    78_B     0.527     0    0.054   1.098     2.505   95.238   84.762
LGA    V    79_B      V    79_B     0.221     0    0.048   0.095     0.475  100.000  100.000
LGA    Y    80_B      Y    80_B     0.233     0    0.011   0.099     1.347  100.000   92.183
LGA    L    81_B      L    81_B     0.124     0    0.070   0.068     0.258  100.000  100.000
LGA    Q    82_B      Q    82_B     0.321     0    0.069   0.202     0.652  100.000   97.884
LGA    M    83_B      M    83_B     0.321     0    0.144   0.705     2.856   97.619   91.071
LGA    N    84_B      N    84_B     0.313     0    0.060   0.278     0.911  100.000   97.619
LGA    S    85_B      S    85_B     0.267     0    0.038   0.042     0.442  100.000  100.000
LGA    L    86_B      L    86_B     0.278     0    0.023   0.251     0.858  100.000   97.619
LGA    K    87_B      K    87_B     0.335     0    0.035   0.561     1.810  100.000   94.868
LGA    P    88_B      P    88_B     0.334     0    0.066   0.358     1.566  100.000   94.762
LGA    E    89_B      E    89_B     0.266     0    0.050   1.236     5.473  100.000   71.852
LGA    D    90_B      D    90_B     0.248     0    0.054   0.124     0.343  100.000  100.000
LGA    T    91_B      T    91_B     0.310     0    0.023   0.082     0.595  100.000   98.639
LGA    A    92_B      A    92_B     0.366     0    0.048   0.051     0.491  100.000  100.000
LGA    M    93_B      M    93_B     0.416     0    0.075   1.315     5.283   97.619   80.536
LGA    Y    94_B      Y    94_B     0.270     0    0.040   0.093     0.296  100.000  100.000
LGA    Y    95_B      Y    95_B     0.047     0    0.034   0.224     1.474  100.000   93.016
LGA    C    96_B      C    96_B     0.224     0    0.079   0.704     2.841  100.000   92.857
LGA    A    97_B      A    97_B     0.549     0    0.067   0.085     0.821   97.619   96.190
LGA    A    98_B      A    98_B     0.250     0    0.047   0.082     0.412  100.000  100.000
LGA    D    99_B      D    99_B     0.651     0    0.118   0.498     2.043   90.476   87.321
LGA    S   100_B      S   100_B     2.318     0    0.210   0.272     2.842   64.881   62.302
LGA    R   101_B      R   101_B     2.758     0    0.175   1.124    12.676   42.619   21.299
LGA    G   102_B      G   102_B     7.801     0    0.635   0.635     8.721    9.762    9.762
LGA    G   103_B      G   103_B    10.412     0    0.266   0.266    10.412    0.833    0.833
LGA    I   104_B      I   104_B     9.011     0    0.064   0.690    10.368    2.381    1.786
LGA    W   105_B      W   105_B     6.772     0    0.581   1.169     8.897   13.690   16.701
LGA    Y   106_B      Y   106_B     6.649     0    0.113   1.378     7.974   10.952   18.492
LGA    E   107_B      E   107_B     9.098     0    0.054   1.268    15.361    4.048    1.799
LGA    Q   108_B      Q   108_B     5.809     0    0.646   1.182    13.156   34.643   17.196
LGA    Q   109_B      Q   109_B     1.580     0    0.617   1.505     7.605   58.571   41.217
LGA    L   110_B      L   110_B     4.960     0    0.422   0.958    11.501   35.000   18.810
LGA    S   111_B      S   111_B     2.691     0    0.583   0.828     4.387   52.262   49.365
LGA    T   112_B      T   112_B     1.253     0    0.252   1.387     4.648   90.595   74.762
LGA    L   113_B      L   113_B     0.501     0    0.646   1.172     2.574   88.214   82.976
LGA    R   114_B      R   114_B     3.913     0    0.196   1.169    12.036   51.905   22.684
LGA    Y   115_B      Y   115_B     1.120     0    0.139   0.249     1.742   77.143   82.262
LGA    N   116_B      N   116_B     1.128     0    0.054   0.945     3.151   83.690   75.417
LGA    Y   117_B      Y   117_B     0.781     0    0.041   0.210     2.043   90.476   82.421
LGA    W   118_B      W   118_B     0.539     0    0.036   0.147     1.051   90.476   89.830
LGA    G   119_B      G   119_B     0.487     0    0.043   0.043     0.595   95.238   95.238
LGA    Q   120_B      Q   120_B     0.725     0    0.154   0.763     3.775   95.238   76.984
LGA    G   121_B      G   121_B     0.460     0    0.080   0.080     0.609   97.619   97.619
LGA    T   122_B      T   122_B     0.350     0    0.033   0.135     0.766  100.000   98.639
LGA    Q   123_B      Q   123_B     0.346     0    0.036   0.114     0.475  100.000  100.000
LGA    V   124_B      V   124_B     0.196     0    0.058   0.167     0.664   97.619   97.279
LGA    T   125_B      T   125_B     0.276     0    0.032   0.596     1.461   97.619   93.265
LGA    V   126_B      V   126_B     0.162     0    0.046   0.081     0.266  100.000  100.000
LGA    S   127_B      S   127_B     0.336     0    0.330   0.739     2.199   95.357   87.937
LGA    S   128_B      S   128_B     4.130     0    0.301   0.670     4.937   39.286   37.619

# 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):     2.185          2.174                  3.039           86.268   80.748

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    119    1.10    89.258    85.607     9.898

LGA_LOCAL      RMSD:   1.102  Number of atoms:  119  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.268  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   2.185  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.583921 * X  +   0.594597 * Y  +   0.552712 * Z  +  36.653229
  Y_new =   0.080605 * X  +  -0.635010 * Y  +   0.768287 * Z  +  -8.827869
  Z_new =   0.807799 * X  +   0.493170 * Y  +   0.322868 * Z  + -22.665838 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.004419 -0.940408  0.991139   [DEG:  172.1405  -53.8814   56.7881 ]
ZXZ:  2.517959  1.242038  1.022684   [DEG:  144.2684   71.1635   58.5955 ]
 
# END of job
