
#######################################################
#                                                     #
#                        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  140 ( 1128),  selected  130 , name one
# Molecule2: number of CA atoms  141 ( 1116),  selected  130 , 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:    71       5_B - 85_B        4.70     6.91
  LCS_AVERAGE:     44.86

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    67       5_B - 71_B        1.96     7.26
  LCS_AVERAGE:     40.17

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    46       9_B - 54_B        0.98     7.31
  LCS_AVERAGE:     20.45

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  130
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     L     5_B     L     5_B     40   67   71     41   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     Y     6_B     Y     6_B     40   67   71     41   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     G     7_B     G     7_B     40   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     R     8_B     R     8_B     40   67   71     19   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     Y     9_B     Y     9_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     E    10_B     E    10_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     W    11_B     W    11_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     V    12_B     V    12_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     S    13_B     S    13_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     L    14_B     L    14_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     P    15_B     P    15_B     46   67   71      7   71   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     E    16_B     E    16_B     46   67   71      7   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     L    17_B     L    17_B     46   67   71      5   21   78   95  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     D    18_B     D    18_B     46   67   71      4   37   80   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     R    19_B     R    19_B     46   67   71     36   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     T    20_B     T    20_B     46   67   71     48   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     L    21_B     L    21_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     Q    22_B     Q    22_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     A    23_B     A    23_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     K    24_B     K    24_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     M    25_B     M    25_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     D    26_B     D    26_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     T    27_B     T    27_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     G    28_B     G    28_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     A    29_B     A    29_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     Y    30_B     Y    30_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     T    31_B     T    31_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     S    32_B     S    32_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     S    33_B     S    33_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     L    34_B     L    34_B     46   67   71     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     S    35_B     S    35_B     46   67   71     47   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     A    36_B     A    36_B     46   67   71     49   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     K    37_B     K    37_B     46   67   71     32   72   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     D    38_B     D    38_B     46   67   71     26   71   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     I    39_B     I    39_B     46   67   71     27   71   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     E    40_B     E    40_B     46   67   71     27   71   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     L    41_B     L    41_B     46   67   71     13   70   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     F    42_B     F    42_B     46   67   71      7   25   80   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     Q    43_B     Q    43_B     46   67   71      7   25   72   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     R    44_B     R    44_B     46   67   71      8   25   45   92  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     D    45_B     D    45_B     46   67   71     14   35   74   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     G    46_B     G    46_B     46   67   71     14   34   67   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     E    47_B     E    47_B     46   67   71      7   38   84   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     E    48_B     E    48_B     46   67   71     11   71   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     W    49_B     W    49_B     46   67   71     14   39   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     V    50_B     V    50_B     46   67   71     14   71   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     R    51_B     R    51_B     46   67   71     14   58   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     F    52_B     F    52_B     46   67   71     26   71   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     R    53_B     R    53_B     46   67   71     26   71   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     L    54_B     L    54_B     46   67   71     26   72   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     A    55_B     A    55_B     25   67   71      5   18   40   89  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     T    56_B     T    56_B     23   67   71      7   18   40   86  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     K    57_B     K    57_B     15   67   71     10   18   38   60  101  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     E    58_B     E    58_B     15   67   71      7   18   40   72  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     A    59_B     A    59_B     15   67   71      7   13   40   69  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     D    60_B     D    60_B      5   67   71      3    6   78   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     G    61_B     G    61_B      5   67   71      3    4    5    7   41   44  104  116  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     S    62_B     S    62_B      5   67   71      3    4   20   32   94  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     V    63_B     V    63_B      6   67   71      3   14   21   29   48   99  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     F    64_B     F    64_B      6   67   71     13   25   38   83  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     E    65_B     E    65_B      6   67   71     13   26   53   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     H    66_B     H    66_B      6   67   71     13   26   53   95  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     K    67_B     K    67_B      6   67   71     13   26   55   95  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     L    68_B     L    68_B      6   67   71     13   70   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     A    69_B     A    69_B      3   67   71      3    3    7    8   22   38   98  116  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     R    70_B     R    70_B      3   67   71      3    3    5   20   98  108  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     I    71_B     I    71_B      3   67   71      1    3    4    7   10   10  107  112  117  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     G    72_B     G    72_B      3    4   71      1    3    4    7   38   99  115  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     K    73_B     K    73_B      3    4   71      0    3    4    7   10   19   96  115  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     I    74_B     I    74_B      3    4   71     16   43   81   94  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     D    85_B     D    85_B      3    5   71      1    3    4    5    6    8    9   10   12   12   13   16   17   18   18   24   26   30   34   36 
LCS_GDT     E    86_B     E    86_B      3    5   15      3    3    4    5    6    8    9   10   12   12   13   16   18   20   22   25   30   32   34   37 
LCS_GDT     D    87_B     D    87_B      3    5   15      3    3    3    4    5    8    9   10   12   12   13   16   18   22   27   29   31   34   39   45 
LCS_GDT     E    88_B     E    88_B      5    8   15      3    4    5    5    7    8   10   11   12   15   16   19   22   24   28   32   38   41   44   51 
LCS_GDT     D    89_B     D    89_B      5   10   56      3    4    5    6    8   10   10   11   12   15   16   19   23   27   31   37   42   50   58   65 
LCS_GDT     R    90_B     R    90_B      5   10   56      3    4    5    8    8   10   10   11   15   19   30   37   44   51   65   73   83   94  102  110 
LCS_GDT     L    91_B     L    91_B      5   10   56      3    4    5    8   10   15   23   28   40   51   62   79   95  110  120  124  124  124  124  124 
LCS_GDT     S    92_B     S    92_B      5   53   56      3    4   10   17   27   37   53   69   96  117  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     E    93_B     E    93_B     23   53   56      3   18   41   86  101  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     R    94_B     R    94_B     25   53   56     18   72   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     P    95_B     P    95_B     25   53   56     48   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     V    96_B     V    96_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     I    97_B     I    97_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     D    98_B     D    98_B     25   53   56     42   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     L    99_B     L    99_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     Q   100_B     Q   100_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     V   101_B     V   101_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     C   102_B     C   102_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     L   103_B     L   103_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     G   104_B     G   104_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     G   105_B     G   105_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     A   106_B     A   106_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     M   107_B     M   107_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     K   108_B     K   108_B     25   53   56     50   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     T   109_B     T   109_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     I   110_B     I   110_B     25   53   56     31   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     E   111_B     E   111_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     V   112_B     V   112_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     N   113_B     N   113_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     L   114_B     L   114_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     T   115_B     T   115_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     D   116_B     D   116_B     25   53   56      3   12   67   88  102  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     R   117_B     R   117_B     25   53   56      3    4   23   50   91   98  109  116  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     S   118_B     S   118_B     25   53   56      4   55   79   96  103  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     A   119_B     A   119_B      3   53   56      3    3    5    5  100  109  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     F   120_B     F   120_B     25   53   56      3   18   37   73   95  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     N   121_B     N   121_B     25   53   56     14   66   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     Y   122_B     Y   122_B     25   53   56     47   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     P   123_B     P   123_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     F   124_B     F   124_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     L   125_B     L   125_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     M   126_B     M   126_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     G   127_B     G   127_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     T   128_B     T   128_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     K   129_B     K   129_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     G   130_B     G   130_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     L   131_B     L   131_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     R   132_B     R   132_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     K   133_B     K   133_B     25   53   56     48   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     F   134_B     F   134_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     H   135_B     H   135_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     V   136_B     V   136_B     25   53   56     10   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     A   137_B     A   137_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     V   138_B     V   138_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     D   139_B     D   139_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     P   140_B     P   140_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     S   141_B     S   141_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     E   142_B     E   142_B     25   53   56     56   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     R   143_B     R   143_B     25   53   56     45   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_GDT     F   144_B     F   144_B     25   53   56     33   73   89   97  106  110  116  117  120  121  122  122  123  123  123  124  124  124  124  124 
LCS_AVERAGE  LCS_A:  35.16  (  20.45   40.17   44.86 )

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     56     73     89     97    106    110    116    117    120    121    122    122    123    123    123    124    124    124    124    124 
GDT PERCENT_AT  39.72  51.77  63.12  68.79  75.18  78.01  82.27  82.98  85.11  85.82  86.52  86.52  87.23  87.23  87.23  87.94  87.94  87.94  87.94  87.94
GDT RMS_LOCAL    0.35   0.48   0.78   1.02   1.30   1.39   1.60   1.65   1.80   1.86   1.92   1.92   2.08   2.08   2.08   2.45   2.45   2.45   2.45   2.45
GDT RMS_ALL_AT   7.45   7.41   7.29   7.28   7.26   7.23   7.22   7.21   7.18   7.18   7.19   7.19   7.14   7.14   7.14   7.07   7.07   7.07   7.07   7.07

# Checking swapping
#   possible swapping detected:  Y     9_B      Y     9_B
#   possible swapping detected:  E    16_B      E    16_B
#   possible swapping detected:  E    40_B      E    40_B
#   possible swapping detected:  D    45_B      D    45_B
#   possible swapping detected:  E    47_B      E    47_B
#   possible swapping detected:  D    60_B      D    60_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D    87_B      D    87_B
#   possible swapping detected:  E    88_B      E    88_B
#   possible swapping detected:  E    93_B      E    93_B
#   possible swapping detected:  F   120_B      F   120_B
#   possible swapping detected:  F   124_B      F   124_B
#   possible swapping detected:  F   134_B      F   134_B
#   possible swapping detected:  F   144_B      F   144_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_B      L     5_B     1.454     0    0.244   1.100     4.104   79.286   67.024
LGA    Y     6_B      Y     6_B     1.017     0    0.049   0.335     2.265   85.952   78.770
LGA    G     7_B      G     7_B     0.687     0    0.099   0.099     0.977   90.476   90.476
LGA    R     8_B      R     8_B     1.171     0    0.068   1.228     7.936   83.690   56.190
LGA    Y     9_B      Y     9_B     0.374     0    0.024   1.242     9.207   95.238   57.302
LGA    E    10_B      E    10_B     0.188     0    0.046   0.245     1.189  100.000   95.820
LGA    W    11_B      W    11_B     0.685     0    0.073   0.106     1.306   92.857   88.571
LGA    V    12_B      V    12_B     0.702     0    0.049   1.110     2.314   90.476   83.129
LGA    S    13_B      S    13_B     1.126     0    0.025   0.209     1.300   83.690   82.937
LGA    L    14_B      L    14_B     1.378     0    0.055   0.958     3.685   81.429   75.595
LGA    P    15_B      P    15_B     1.266     0    0.063   0.371     1.977   81.429   78.980
LGA    E    16_B      E    16_B     1.690     0    0.158   1.031     4.625   68.929   54.974
LGA    L    17_B      L    17_B     2.301     0    0.054   1.038     5.091   66.905   55.536
LGA    D    18_B      D    18_B     1.662     0    0.077   0.629     4.396   72.976   62.619
LGA    R    19_B      R    19_B     0.905     0    0.034   1.215     6.370   88.214   69.740
LGA    T    20_B      T    20_B     0.939     0    0.029   0.051     1.055   90.476   86.599
LGA    L    21_B      L    21_B     0.933     0    0.031   0.069     1.392   90.476   85.952
LGA    Q    22_B      Q    22_B     0.681     0    0.035   1.018     3.235   92.857   77.619
LGA    A    23_B      A    23_B     0.288     0    0.056   0.058     0.433  100.000  100.000
LGA    K    24_B      K    24_B     0.395     0    0.064   0.596     1.637  100.000   90.741
LGA    M    25_B      M    25_B     0.598     0    0.067   0.643     1.464   95.238   90.595
LGA    D    26_B      D    26_B     0.354     0    0.045   0.089     1.030  100.000   95.298
LGA    T    27_B      T    27_B     0.410     0    0.084   1.124     2.647   97.619   87.483
LGA    G    28_B      G    28_B     0.539     0    0.029   0.029     0.713   90.476   90.476
LGA    A    29_B      A    29_B     0.954     0    0.048   0.084     1.090   90.476   88.667
LGA    Y    30_B      Y    30_B     0.817     0    0.030   0.050     1.128   90.595   89.762
LGA    T    31_B      T    31_B     0.483     0    0.029   1.174     2.821   97.619   86.122
LGA    S    32_B      S    32_B     0.506     0    0.019   0.674     2.447   92.857   87.778
LGA    S    33_B      S    33_B     0.941     0    0.053   0.705     1.971   85.952   83.016
LGA    L    34_B      L    34_B     1.495     0    0.035   0.117     1.877   81.429   78.214
LGA    S    35_B      S    35_B     1.473     0    0.149   0.151     1.767   79.286   77.143
LGA    A    36_B      A    36_B     0.901     0    0.015   0.038     1.171   88.214   88.667
LGA    K    37_B      K    37_B     0.502     0    0.021   1.003     6.211   95.238   71.323
LGA    D    38_B      D    38_B     0.241     0    0.030   0.247     1.256  100.000   95.298
LGA    I    39_B      I    39_B     0.285     0    0.022   0.101     0.505  100.000   98.810
LGA    E    40_B      E    40_B     0.452     0    0.183   1.292     4.296   97.619   80.053
LGA    L    41_B      L    41_B     1.003     0    0.062   1.473     5.089   79.286   62.083
LGA    F    42_B      F    42_B     1.928     0    0.059   1.249     5.018   77.143   62.857
LGA    Q    43_B      Q    43_B     2.233     0    0.019   0.645     4.198   60.952   56.667
LGA    R    44_B      R    44_B     3.071     0    0.265   1.466     4.644   67.619   54.589
LGA    D    45_B      D    45_B     1.962     0    0.329   1.128     2.901   64.881   71.131
LGA    G    46_B      G    46_B     2.217     0    0.123   0.123     2.217   70.952   70.952
LGA    E    47_B      E    47_B     1.628     0    0.027   1.050     4.967   75.000   53.651
LGA    E    48_B      E    48_B     0.872     0    0.034   0.273     2.105   83.690   79.630
LGA    W    49_B      W    49_B     1.356     0    0.048   1.130     5.605   85.952   55.510
LGA    V    50_B      V    50_B     0.935     0    0.037   1.076     2.598   83.690   78.163
LGA    R    51_B      R    51_B     1.016     0    0.042   0.719     4.622   90.595   67.489
LGA    F    52_B      F    52_B     0.612     0    0.027   0.093     1.718   88.214   83.983
LGA    R    53_B      R    53_B     0.430     0    0.061   1.281     6.661   95.238   64.719
LGA    L    54_B      L    54_B     0.346     0    0.101   1.111     3.610   86.548   74.107
LGA    A    55_B      A    55_B     2.633     0    0.276   0.307     3.626   61.071   57.524
LGA    T    56_B      T    56_B     2.649     0    0.073   0.075     3.025   55.357   59.388
LGA    K    57_B      K    57_B     3.392     4    0.150   0.172     3.735   48.333   26.296
LGA    E    58_B      E    58_B     2.954     4    0.539   0.505     4.119   50.357   28.730
LGA    A    59_B      A    59_B     3.113     0    0.094   0.105     5.627   59.286   51.714
LGA    D    60_B      D    60_B     2.058     0    0.037   1.253     6.937   70.952   47.143
LGA    G    61_B      G    61_B     5.416     0    0.487   0.487     6.072   27.976   27.976
LGA    S    62_B      S    62_B     3.287     0    0.454   0.940     6.381   50.119   43.492
LGA    V    63_B      V    63_B     4.716     0    0.348   0.315     8.196   34.524   22.517
LGA    F    64_B      F    64_B     2.612     0    0.120   0.248     4.618   62.976   54.675
LGA    E    65_B      E    65_B     2.185     0    0.076   0.576     3.746   62.857   55.132
LGA    H    66_B      H    66_B     2.310     0    0.068   0.899     3.402   66.786   62.667
LGA    K    67_B      K    67_B     2.298     0    0.050   0.640     4.748   62.857   55.238
LGA    L    68_B      L    68_B     1.600     0    0.363   1.118     2.759   75.000   70.952
LGA    A    69_B      A    69_B     4.805     0    0.335   0.345     6.536   43.690   37.619
LGA    R    70_B      R    70_B     3.593     0    0.616   1.110     9.769   37.500   20.087
LGA    I    71_B      I    71_B     5.778     0    0.608   0.923     9.508   25.119   15.060
LGA    G    72_B      G    72_B     4.503     0    0.413   0.413     4.739   31.429   31.429
LGA    K    73_B      K    73_B     5.527     0    0.579   1.044    11.681   38.690   19.312
LGA    I    74_B      I    74_B     2.357     0    0.588   1.710     7.546   49.762   39.762
LGA    D    85_B      D    85_B    36.346     3    0.662   0.594    38.834    0.000    0.000
LGA    E    86_B      E    86_B    36.689     0    0.696   0.961    38.610    0.000    0.000
LGA    D    87_B      D    87_B    33.802     0    0.351   1.330    34.472    0.000    0.000
LGA    E    88_B      E    88_B    32.268     0    0.639   1.026    38.036    0.000    0.000
LGA    D    89_B      D    89_B    26.606     0    0.074   1.193    28.679    0.000    0.000
LGA    R    90_B      R    90_B    20.876     0    0.035   1.066    22.942    0.000    0.000
LGA    L    91_B      L    91_B    15.088     0    0.039   1.022    18.336    0.000    0.000
LGA    S    92_B      S    92_B     9.320     0    0.029   0.043    11.622    4.643    3.175
LGA    E    93_B      E    93_B     3.542     0    0.509   0.740     8.102   49.881   36.984
LGA    R    94_B      R    94_B     1.658     0    0.242   1.615    12.619   77.143   37.013
LGA    P    95_B      P    95_B     1.695     0    0.088   0.113     2.573   72.857   68.299
LGA    V    96_B      V    96_B     1.312     0    0.041   0.070     1.458   81.429   81.429
LGA    I    97_B      I    97_B     1.489     0    0.086   1.529     5.041   81.429   68.333
LGA    D    98_B      D    98_B     1.599     0    0.143   0.749     3.193   70.833   65.119
LGA    L    99_B      L    99_B     1.259     0    0.053   1.377     3.813   81.429   69.702
LGA    Q   100_B      Q   100_B     1.242     0    0.075   1.366     4.668   81.429   66.825
LGA    V   101_B      V   101_B     0.997     0    0.015   0.076     0.997   90.476   90.476
LGA    C   102_B      C   102_B     0.883     0    0.064   0.141     0.947   90.476   92.063
LGA    L   103_B      L   103_B     0.676     0    0.089   0.147     0.967   90.476   90.476
LGA    G   104_B      G   104_B     0.917     0    0.490   0.490     2.702   79.881   79.881
LGA    G   105_B      G   105_B     1.108     0    0.072   0.072     1.817   83.810   83.810
LGA    A   106_B      A   106_B     1.003     0    0.039   0.060     1.098   85.952   85.048
LGA    M   107_B      M   107_B     1.051     0    0.061   0.717     2.042   81.429   78.274
LGA    K   108_B      K   108_B     1.201     0    0.027   0.784     2.343   81.429   75.820
LGA    T   109_B      T   109_B     0.960     0    0.047   1.127     2.818   83.690   79.320
LGA    I   110_B      I   110_B     1.294     0    0.051   1.067     3.545   81.429   75.655
LGA    E   111_B      E   111_B     0.689     0    0.042   0.610     2.677   90.476   78.413
LGA    V   112_B      V   112_B     0.872     0    0.047   0.077     1.474   88.214   85.306
LGA    N   113_B      N   113_B     1.108     0    0.040   0.563     2.039   83.690   80.476
LGA    L   114_B      L   114_B     1.571     0    0.057   1.084     3.153   75.000   69.107
LGA    T   115_B      T   115_B     1.568     0    0.065   0.990     2.113   70.833   70.544
LGA    D   116_B      D   116_B     2.849     0    0.594   0.958     6.512   57.262   42.500
LGA    R   117_B      R   117_B     4.415     0    0.507   1.650    11.893   38.690   19.524
LGA    S   118_B      S   118_B     2.725     0    0.668   0.620     4.124   52.262   52.698
LGA    A   119_B      A   119_B     3.383     0    0.643   0.577     5.646   49.762   44.095
LGA    F   120_B      F   120_B     3.517     0    0.538   1.457    13.208   57.500   23.550
LGA    N   121_B      N   121_B     0.953     0    0.152   0.931     2.304   83.810   85.119
LGA    Y   122_B      Y   122_B     0.608     0    0.103   0.284     2.697   92.857   77.619
LGA    P   123_B      P   123_B     0.722     0    0.047   0.383     1.839   90.476   86.667
LGA    F   124_B      F   124_B     0.713     0    0.023   0.182     2.051   92.857   84.156
LGA    L   125_B      L   125_B     0.482     0    0.062   1.255     3.521   97.619   84.940
LGA    M   126_B      M   126_B     0.320     0    0.063   0.198     0.579  100.000   96.429
LGA    G   127_B      G   127_B     0.393     0    0.047   0.047     0.393  100.000  100.000
LGA    T   128_B      T   128_B     0.733     0    0.043   1.174     3.089   90.476   82.109
LGA    K   129_B      K   129_B     0.585     0    0.040   1.018     3.179   90.476   82.011
LGA    G   130_B      G   130_B     0.532     0    0.039   0.039     0.703   92.857   92.857
LGA    L   131_B      L   131_B     0.659     0    0.030   0.138     1.010   88.214   89.345
LGA    R   132_B      R   132_B     1.050     0    0.035   1.348     7.494   83.690   62.727
LGA    K   133_B      K   133_B     1.150     0    0.036   1.147     5.457   81.429   63.968
LGA    F   134_B      F   134_B     0.904     0    0.057   0.131     1.115   85.952   86.364
LGA    H   135_B      H   135_B     1.443     0    0.055   1.354     7.908   81.429   51.667
LGA    V   136_B      V   136_B     1.216     0    0.118   0.845     2.191   81.429   77.823
LGA    A   137_B      A   137_B     1.111     0    0.114   0.123     1.252   81.429   81.429
LGA    V   138_B      V   138_B     1.059     0    0.071   1.027     2.826   81.429   76.735
LGA    D   139_B      D   139_B     0.801     0    0.033   0.574     1.506   90.476   87.143
LGA    P   140_B      P   140_B     0.860     0    0.072   0.316     1.464   90.476   89.184
LGA    S   141_B      S   141_B     0.902     0    0.071   0.066     1.224   90.476   87.460
LGA    E   142_B      E   142_B     0.560     0    0.024   1.070     3.443   88.214   78.677
LGA    R   143_B      R   143_B     0.790     0    0.143   1.239     8.225   92.857   55.584
LGA    F   144_B      F   144_B     0.630     0    0.054   0.223     2.828   92.857   81.991

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      130     520    520  100.00    1038   1038  100.00               141
SUMMARY(RMSD_GDC):     6.692          6.591                  7.126           68.071   60.464

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  140  141    4.0    117    1.65    72.872    67.523     6.698

LGA_LOCAL      RMSD:   1.647  Number of atoms:  117  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.212  Number of assigned atoms:  130 
Std_ASGN_ATOMS RMSD:   6.692  Standard rmsd on all 130 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.332171 * X  +   0.139337 * Y  +   0.932871 * Z  + -10.402724
  Y_new =  -0.843537 * X  +  -0.398640 * Y  +   0.359904 * Z  +   7.403044
  Z_new =   0.422028 * X  +  -0.906461 * Y  +  -0.014881 * Z  +  -4.663437 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.195660 -0.435681 -1.587211   [DEG:  -68.5063  -24.9627  -90.9405 ]
ZXZ:  1.939005  1.585678  2.705860   [DEG:  111.0968   90.8526  155.0344 ]
 
# END of job
