
#######################################################
#                                                     #
#                        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  135 ( 1077),  selected  126 , name one
# Molecule2: number of CA atoms  126 ( 1024),  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       7_B - 134_B       3.06     3.06
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69      59_B - 129_B       1.99     3.12
  LONGEST_CONTINUOUS_SEGMENT:    69      60_B - 130_B       1.98     3.13
  LCS_AVERAGE:     43.25

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    44      84_B - 129_B       0.97     3.21
  LONGEST_CONTINUOUS_SEGMENT:    44      85_B - 130_B       0.98     3.22
  LCS_AVERAGE:     23.21

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     7_B     E     7_B     23   39  126     11   17   36   76   95  105  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     E     8_B     E     8_B     23   39  126     11   17   33   76   95  107  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     A     9_B     A     9_B     32   39  126     11   20   55   78   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     K    10_B     K    10_B     34   39  126     11   27   64   85   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     E    11_B     E    11_B     34   39  126     11   22   58   80   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     A    12_B     A    12_B     34   39  126     11   26   60   86   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     I    13_B     I    13_B     34   39  126     11   44   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     I    14_B     I    14_B     34   39  126     11   44   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     A    15_B     A    15_B     34   39  126     11   47   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     M    16_B     M    16_B     34   39  126     11   51   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     L    17_B     L    17_B     34   39  126     12   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     K    18_B     K    18_B     34   39  126     12   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     E    19_B     E    19_B     34   39  126     13   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     W    20_B     W    20_B     34   39  126     13   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     Y    21_B     Y    21_B     34   39  126     17   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     D    22_B     D    22_B     34   39  126      9   49   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     A    23_B     A    23_B     34   39  126      8   37   72   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     M    24_B     M    24_B     34   39  126      9   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     N    25_B     N    25_B     34   39  126      7   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     E    26_B     E    26_B     34   39  126      7   49   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     G    27_B     G    27_B     34   39  126      7   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     D    28_B     D    28_B     34   39  126     15   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     M    29_B     M    29_B     34   39  126     15   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     E    30_B     E    30_B     34   39  126     15   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     K    31_B     K    31_B     34   39  126     20   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     L    32_B     L    32_B     34   39  126     20   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     R    33_B     R    33_B     34   39  126     20   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     S    34_B     S    34_B     34   39  126     21   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     L    35_B     L    35_B     34   39  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     V    36_B     V    36_B     34   39  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     D    37_B     D    37_B     34   39  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     P    38_B     P    38_B     34   39  126     18   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     D    39_B     D    39_B     34   39  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     A    40_B     A    40_B     34   39  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     S    41_B     S    41_B     34   39  126     22   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     F    42_B     F    42_B     34   39  126     20   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     V    43_B     V    43_B     34   39  126     11   47   69   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     D    44_B     D    44_B      9   39  126      4    9   24   52   71  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     A    45_B     A    45_B      5   39  126      4    5   16   29   47   57   70   91  110  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     R    46_B     R    46_B      5   38  126      4    6   11   26   36   51   59   68   82   97  114  121  122  122  123  124  124  124  124  126 
LCS_GDT     T    47_B     T    47_B      5   30  126      4    4   11   26   37   52   70   82  110  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     N    48_B     N    48_B     11   30  126      3   11   24   38   56   83  100  112  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     Q    49_B     Q    49_B     11   30  126      3   17   47   76   94  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     V    50_B     V    50_B     11   30  126     14   43   68   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     Y    51_B     Y    51_B     11   30  126     10   43   69   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     D    52_B     D    52_B     14   30  126     14   47   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     K    53_B     K    53_B     14   30  126      8   30   70   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     D    54_B     D    54_B     14   30  126      8   23   62   83   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     Q    55_B     Q    55_B     14   30  126      8   22   49   81   98  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     F    56_B     F    56_B     14   30  126      5   23   62   87   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     L    57_B     L    57_B     14   30  126      5   23   66   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     Q    58_B     Q    58_B     14   30  126      6   27   60   83   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     M    59_B     M    59_B     14   69  126      5   23   54   78   94  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     I    60_B     I    60_B     14   69  126      5   20   58   80   96  107  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     K    61_B     K    61_B     14   69  126      5   22   56   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     E    62_B     E    62_B     14   69  126      4   24   70   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     A    63_B     A    63_B     14   69  126     20   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     L    64_B     L    64_B     14   69  126      4   42   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     E    65_B     E    65_B     14   69  126     10   48   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     Q    66_B     Q    66_B     11   69  126      4   13   63   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     D    67_B     D    67_B     11   69  126      4   24   66   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     L    68_B     L    68_B     11   69  126     12   48   68   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     K    69_B     K    69_B     11   69  126     20   48   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     V    70_B     V    70_B     11   69  126     17   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     E    71_B     E    71_B     11   69  126     17   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     V    72_B     V    72_B     11   69  126     19   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     K    73_B     K    73_B     11   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     S    74_B     S    74_B     11   69  126      5   43   71   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     I    75_B     I    75_B      9   69  126      3   25   71   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     D    76_B     D    76_B      7   69  126      3    4   16   52   95  104  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     I    77_B     I    77_B      4   69  126      3    6   40   58   88  103  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     E    78_B     E    78_B      5   69  126      4   23   54   80   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     Q    79_B     Q    79_B      5   69  126      4    5    5    7   29   54   79  105  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     Q    80_B     Q    80_B      5   69  126      4    5   21   29   45   74  108  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     P    81_B     P    81_B      5   69  126      4    5    5    6   11   21   42   70  112  118  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     D    82_B     D    82_B     17   69  126      3   11   35   67   95  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     G    83_B     G    83_B     33   69  126      6   37   67   87   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     D    84_B     D    84_B     44   69  126      4   30   46   77   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     V    85_B     V    85_B     44   69  126     10   46   72   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     V    86_B     V    86_B     44   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     I    87_B     I    87_B     44   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     V    88_B     V    88_B     44   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     K    89_B     K    89_B     44   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     V    90_B     V    90_B     44   69  126     12   48   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     K    91_B     K    91_B     44   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     V    92_B     V    92_B     44   69  126     22   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     R    93_B     R    93_B     44   69  126     22   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     A    94_B     A    94_B     44   69  126     22   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     T    95_B     T    95_B     44   69  126     20   48   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     M    96_B     M    96_B     44   69  126     20   48   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     V    97_B     V    97_B     44   69  126     18   47   72   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     R    98_B     R    98_B     44   69  126      9   47   72   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     Q   101_B     Q   101_B     44   69  126      8   34   51   76   96  107  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     E   102_B     E   102_B     44   69  126     10   47   72   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     H   103_B     H   103_B     44   69  126     16   47   72   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     V   104_B     V   104_B     44   69  126     20   48   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     F   105_B     F   105_B     44   69  126     20   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     E   106_B     E   106_B     44   69  126     22   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     V   107_B     V   107_B     44   69  126     19   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     V   108_B     V   108_B     44   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     D   109_B     D   109_B     44   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     T   110_B     T   110_B     44   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     Y   111_B     Y   111_B     44   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     E   112_B     E   112_B     44   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     F   113_B     F   113_B     44   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     R   114_B     R   114_B     44   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     R   115_B     R   115_B     44   69  126     23   48   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     K   116_B     K   116_B     44   69  126      4   42   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     G   117_B     G   117_B     44   69  126      9   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     D   118_B     D   118_B     44   69  126      3   41   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     S   119_B     S   119_B     44   69  126      3   11   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     W   120_B     W   120_B     44   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     K   121_B     K   121_B     44   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     I   122_B     I   122_B     44   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     V   123_B     V   123_B     44   69  126     23   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     K   124_B     K   124_B     44   69  126     22   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     L   125_B     L   125_B     44   69  126     22   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     V   126_B     V   126_B     44   69  126     20   48   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     S   127_B     S   127_B     44   69  126     20   52   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     E   128_B     E   128_B     44   69  126     18   47   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     I   129_B     I   129_B     44   69  126     12   48   73   91   99  108  113  115  116  119  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     T   130_B     T   130_B     44   69  126      4    4   29   67   91  103  110  115  116  118  121  121  122  122  123  124  124  124  125  126 
LCS_GDT     Q   131_B     Q   131_B      5   50  126      4    5    9   16   35   44   65   95  107  115  117  119  121  122  123  124  124  124  125  126 
LCS_GDT     L   132_B     L   132_B      5   49  126      4    5    9   17   26   44   65   84  103  112  117  119  121  122  123  124  124  124  125  126 
LCS_GDT     G   133_B     G   133_B      5   11  126      3    4    5    7    9   13   16   26   32   38   49   61   72   91   98  121  122  124  125  126 
LCS_GDT     S   134_B     S   134_B      3    7  126      0    0    5    7    8   12   12   15   17   20   27   59   64   75   98  116  122  124  125  126 
LCS_AVERAGE  LCS_A:  55.49  (  23.21   43.25  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     23     52     73     91     99    108    113    115    116    119    121    121    122    122    123    124    124    124    125    126 
GDT PERCENT_AT  18.25  41.27  57.94  72.22  78.57  85.71  89.68  91.27  92.06  94.44  96.03  96.03  96.83  96.83  97.62  98.41  98.41  98.41  99.21 100.00
GDT RMS_LOCAL    0.32   0.66   0.91   1.17   1.33   1.60   1.74   1.80   1.85   2.11   2.22   2.22   2.33   2.32   2.43   2.54   2.54   2.54   2.96   3.06
GDT RMS_ALL_AT   3.20   3.15   3.15   3.13   3.11   3.09   3.10   3.10   3.10   3.14   3.12   3.12   3.14   3.10   3.08   3.09   3.09   3.09   3.06   3.06

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_B
#   possible swapping detected:  E    19_B      E    19_B
#   possible swapping detected:  D    37_B      D    37_B
#   possible swapping detected:  F    42_B      F    42_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  E   106_B      E   106_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   possible swapping detected:  F   113_B      F   113_B
#   possible swapping detected:  D   118_B      D   118_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     3.773     0    0.707   1.038     6.212   38.452   37.566
LGA    E     8_B      E     8_B     3.693     0    0.043   0.836     6.780   48.452   36.614
LGA    A     9_B      A     9_B     2.723     0    0.067   0.070     3.163   61.190   60.381
LGA    K    10_B      K    10_B     2.076     0    0.057   0.199     2.429   64.762   64.762
LGA    E    11_B      E    11_B     2.671     0    0.029   0.190     4.828   60.952   49.947
LGA    A    12_B      A    12_B     2.016     0    0.022   0.034     2.331   70.952   69.714
LGA    I    13_B      I    13_B     1.031     0    0.047   0.684     2.800   85.952   81.786
LGA    I    14_B      I    14_B     1.097     0    0.036   0.292     1.990   81.429   80.417
LGA    A    15_B      A    15_B     1.000     0    0.023   0.030     1.080   83.690   85.048
LGA    M    16_B      M    16_B     1.024     0    0.043   1.141     3.087   85.952   78.690
LGA    L    17_B      L    17_B     0.840     0    0.038   1.403     3.545   88.214   75.179
LGA    K    18_B      K    18_B     1.067     0    0.018   1.298     7.144   83.690   60.847
LGA    E    19_B      E    19_B     1.342     0    0.023   1.214     3.769   81.429   66.720
LGA    W    20_B      W    20_B     1.120     0    0.061   1.652     6.552   81.429   62.313
LGA    Y    21_B      Y    21_B     0.656     0    0.085   1.303     8.741   85.952   54.087
LGA    D    22_B      D    22_B     1.639     0    0.035   0.917     5.034   75.000   57.440
LGA    A    23_B      A    23_B     2.024     0    0.045   0.043     2.293   70.833   69.619
LGA    M    24_B      M    24_B     1.420     0    0.034   0.851     3.708   79.286   72.440
LGA    N    25_B      N    25_B     1.188     0    0.039   0.199     1.595   81.429   79.286
LGA    E    26_B      E    26_B     1.733     0    0.102   0.456     3.482   72.857   65.026
LGA    G    27_B      G    27_B     1.623     0    0.095   0.095     2.069   70.833   70.833
LGA    D    28_B      D    28_B     1.882     0    0.089   0.180     2.368   70.833   68.810
LGA    M    29_B      M    29_B     2.036     0    0.116   1.027     5.440   70.833   61.190
LGA    E    30_B      E    30_B     1.777     0    0.025   1.358     5.976   72.857   54.815
LGA    K    31_B      K    31_B     1.574     0    0.031   0.777     3.518   77.143   65.661
LGA    L    32_B      L    32_B     1.407     0    0.027   0.058     1.867   79.286   76.071
LGA    R    33_B      R    33_B     1.182     0    0.043   1.446     4.605   85.952   74.762
LGA    S    34_B      S    34_B     0.904     0    0.150   0.727     2.751   85.952   81.905
LGA    L    35_B      L    35_B     0.771     0    0.169   0.153     1.392   90.476   85.952
LGA    V    36_B      V    36_B     0.601     0    0.086   0.110     1.105   95.238   91.905
LGA    D    37_B      D    37_B     0.317     0    0.062   0.547     1.345   97.619   94.167
LGA    P    38_B      P    38_B     0.595     0    0.735   0.648     3.343   80.476   87.483
LGA    D    39_B      D    39_B     0.709     0    0.056   0.203     1.182   92.976   92.976
LGA    A    40_B      A    40_B     0.444     0    0.083   0.083     0.566   97.619   98.095
LGA    S    41_B      S    41_B     0.378     0    0.122   0.644     2.399  100.000   94.127
LGA    F    42_B      F    42_B     0.419     0    0.076   0.293     2.088   95.238   86.667
LGA    V    43_B      V    43_B     1.572     0    0.088   1.017     2.991   75.238   70.816
LGA    D    44_B      D    44_B     3.890     0    0.240   1.057     7.811   40.476   28.869
LGA    A    45_B      A    45_B     6.745     0    0.040   0.040     7.848   12.976   11.810
LGA    R    46_B      R    46_B     8.734     0    0.017   1.156    16.018    4.405    1.732
LGA    T    47_B      T    47_B     6.940     0    0.672   0.585     7.686   14.405   14.218
LGA    N    48_B      N    48_B     5.619     0    0.271   0.261     8.545   29.762   18.690
LGA    Q    49_B      Q    49_B     3.420     0    0.063   1.340     7.021   43.571   32.963
LGA    V    50_B      V    50_B     1.853     0    0.093   1.088     3.398   70.833   67.279
LGA    Y    51_B      Y    51_B     1.421     0    0.030   0.200     3.755   79.286   64.762
LGA    D    52_B      D    52_B     1.091     0    0.057   1.195     4.810   79.286   66.250
LGA    K    53_B      K    53_B     1.675     0    0.054   0.095     1.955   72.857   72.857
LGA    D    54_B      D    54_B     2.460     0    0.097   0.686     3.715   60.952   58.274
LGA    Q    55_B      Q    55_B     2.730     0    0.023   1.013     5.887   57.143   45.556
LGA    F    56_B      F    56_B     2.358     0    0.040   0.312     2.758   64.762   64.848
LGA    L    57_B      L    57_B     1.938     0    0.117   0.230     2.677   70.833   67.857
LGA    Q    58_B      Q    58_B     2.312     0    0.022   1.367     7.530   64.762   43.810
LGA    M    59_B      M    59_B     3.120     0    0.064   1.221     6.972   55.357   46.786
LGA    I    60_B      I    60_B     2.836     0    0.058   1.242     3.997   59.048   58.393
LGA    K    61_B      K    61_B     2.002     0    0.053   0.711     3.091   68.810   64.974
LGA    E    62_B      E    62_B     1.618     0    0.649   0.686     4.418   61.905   64.444
LGA    A    63_B      A    63_B     1.022     0    0.135   0.157     1.783   81.548   79.810
LGA    L    64_B      L    64_B     1.228     0    0.080   0.970     3.201   79.286   72.500
LGA    E    65_B      E    65_B     1.466     0    0.027   0.862     5.454   75.119   54.921
LGA    Q    66_B      Q    66_B     2.251     0    0.293   0.956     4.017   68.810   56.190
LGA    D    67_B      D    67_B     1.992     0    0.083   0.332     3.725   72.857   63.333
LGA    L    68_B      L    68_B     1.958     0    0.105   0.871     2.857   72.857   73.036
LGA    K    69_B      K    69_B     1.553     0    0.051   1.091     3.905   75.000   62.063
LGA    V    70_B      V    70_B     0.937     0    0.078   1.040     2.752   83.690   79.320
LGA    E    71_B      E    71_B     0.954     0    0.043   1.023     4.037   90.476   75.132
LGA    V    72_B      V    72_B     0.852     0    0.133   1.113     2.785   88.214   80.612
LGA    K    73_B      K    73_B     0.455     0    0.113   0.936     6.794   97.619   71.323
LGA    S    74_B      S    74_B     1.230     0    0.122   0.661     2.755   81.429   77.381
LGA    I    75_B      I    75_B     1.435     0    0.273   1.289     4.198   79.286   68.631
LGA    D    76_B      D    76_B     3.670     0    0.142   1.160     6.980   43.452   34.167
LGA    I    77_B      I    77_B     3.974     0    0.060   1.128     5.513   48.452   42.381
LGA    E    78_B      E    78_B     2.700     0    0.164   0.889     3.980   48.452   59.365
LGA    Q    79_B      Q    79_B     5.643     0    0.037   0.929    12.427   25.476   12.434
LGA    Q    80_B      Q    80_B     5.009     0    0.086   1.073     6.506   27.500   29.630
LGA    P    81_B      P    81_B     7.196     0    0.762   0.636    10.281   17.738   10.544
LGA    D    82_B      D    82_B     3.632     0    0.201   0.742     5.414   45.952   40.417
LGA    G    83_B      G    83_B     2.528     0    0.475   0.475     2.826   59.048   59.048
LGA    D    84_B      D    84_B     3.195     0    0.236   0.235     4.534   51.786   44.524
LGA    V    85_B      V    85_B     1.617     0    0.040   0.940     2.656   77.143   71.905
LGA    V    86_B      V    86_B     0.607     0    0.121   0.208     0.797   90.476   93.197
LGA    I    87_B      I    87_B     0.725     0    0.084   1.182     2.558   90.476   78.929
LGA    V    88_B      V    88_B     0.333     0    0.064   0.218     1.134  100.000   94.626
LGA    K    89_B      K    89_B     0.523     0    0.087   0.890     4.702   92.857   80.159
LGA    V    90_B      V    90_B     1.180     0    0.108   0.142     1.822   88.214   82.857
LGA    K    91_B      K    91_B     0.691     0    0.032   0.603     1.999   90.476   86.561
LGA    V    92_B      V    92_B     0.641     0    0.051   1.081     2.471   90.476   84.286
LGA    R    93_B      R    93_B     0.690     0    0.027   0.644     4.454   90.476   63.680
LGA    A    94_B      A    94_B     0.634     0    0.034   0.052     0.912   90.476   92.381
LGA    T    95_B      T    95_B     1.627     0    0.048   0.102     1.887   75.000   74.082
LGA    M    96_B      M    96_B     1.739     0    0.036   0.861     3.573   72.857   64.345
LGA    V    97_B      V    97_B     2.237     0    0.052   1.093     4.404   66.786   63.129
LGA    R    98_B      R    98_B     2.434     0    0.569   1.006     7.706   61.071   41.169
LGA    Q   101_B      Q   101_B     3.518     0    0.281   1.200     5.779   48.333   45.503
LGA    E   102_B      E   102_B     2.480     0    0.043   0.663     3.371   60.952   58.095
LGA    H   103_B      H   103_B     2.233     0    0.017   0.228     3.211   68.810   62.667
LGA    V   104_B      V   104_B     1.711     0    0.039   1.059     2.992   72.976   68.367
LGA    F   105_B      F   105_B     0.979     0    0.076   0.141     3.430   90.595   72.338
LGA    E   106_B      E   106_B     0.705     0    0.052   1.065     3.644   88.214   74.127
LGA    V   107_B      V   107_B     0.944     0    0.111   1.049     2.754   90.476   80.748
LGA    V   108_B      V   108_B     0.603     0    0.083   0.096     0.923   95.238   93.197
LGA    D   109_B      D   109_B     0.568     0    0.086   0.255     1.494   92.857   90.536
LGA    T   110_B      T   110_B     0.385     0    0.092   0.104     1.257   92.976   89.320
LGA    Y   111_B      Y   111_B     0.480     0    0.032   0.216     1.786   95.238   89.127
LGA    E   112_B      E   112_B     0.557     0    0.035   0.218     1.260   90.476   89.471
LGA    F   113_B      F   113_B     0.555     0    0.010   0.416     1.653   92.857   88.139
LGA    R   114_B      R   114_B     0.780     0    0.036   1.151     6.949   90.476   64.805
LGA    R   115_B      R   115_B     1.046     0    0.072   1.288     3.551   88.333   68.701
LGA    K   116_B      K   116_B     1.213     0    0.282   1.186     3.527   83.690   73.704
LGA    G   117_B      G   117_B     1.789     0    0.600   0.600     3.929   65.595   65.595
LGA    D   118_B      D   118_B     1.829     0    0.162   0.534     4.273   70.833   62.440
LGA    S   119_B      S   119_B     2.423     0    0.148   0.613     3.398   70.833   65.079
LGA    W   120_B      W   120_B     1.277     0    0.086   0.186     2.063   79.286   72.959
LGA    K   121_B      K   121_B     0.838     0    0.045   1.063     4.974   90.476   74.815
LGA    I   122_B      I   122_B     0.425     0    0.043   0.080     0.880   92.857   95.238
LGA    V   123_B      V   123_B     0.218     0    0.166   0.172     0.996   95.238   94.558
LGA    K   124_B      K   124_B     0.610     0    0.040   0.736     4.851   97.619   72.963
LGA    L   125_B      L   125_B     0.448     0    0.157   1.155     2.707   92.857   85.357
LGA    V   126_B      V   126_B     0.796     0    0.062   1.089     2.872   90.476   82.041
LGA    S   127_B      S   127_B     0.635     0    0.089   0.644     2.459   90.476   86.190
LGA    E   128_B      E   128_B     0.952     0    0.235   0.772     1.704   95.238   90.741
LGA    I   129_B      I   129_B     1.489     0    0.120   1.063     6.514   73.452   53.452
LGA    T   130_B      T   130_B     3.899     0    0.042   1.004     4.666   42.262   42.721
LGA    Q   131_B      Q   131_B     7.493     0    0.607   0.851    14.602   13.571    6.085
LGA    L   132_B      L   132_B     8.415     0    0.193   1.097    10.347    2.381   16.786
LGA    G   133_B      G   133_B    13.922     0    0.495   0.495    15.906    0.000    0.000
LGA    S   134_B      S   134_B    14.403     0    0.264   0.641    17.127    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1024   1024  100.00               126
SUMMARY(RMSD_GDC):     3.057          3.090                  3.589           71.656   64.702

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    115    1.80    75.794    71.533     6.054

LGA_LOCAL      RMSD:   1.799  Number of atoms:  115  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.100  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   3.057  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.342630 * X  +  -0.722753 * Y  +  -0.600194 * Z  +  63.434990
  Y_new =  -0.464675 * X  +   0.685622 * Y  +  -0.560357 * Z  +  46.474483
  Z_new =   0.816506 * X  +   0.086899 * Y  +  -0.570760 * Z  +  -5.081417 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.206156 -0.955333  2.990501   [DEG: -126.4034  -54.7365  171.3431 ]
ZXZ: -0.819710  2.178227  1.464767   [DEG:  -46.9659  124.8032   83.9250 ]
 
# END of job
