
#######################################################
#                                                     #
#                        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       3.51     3.51
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58       7_B - 64_B        1.97     4.32
  LCS_AVERAGE:     36.46

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    34      10_B - 43_B        1.00     3.69
  LCS_AVERAGE:     15.97

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     30   58  126     11   24   51   82   90   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     E     8_B     E     8_B     30   58  126     11   16   31   65   87   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     A     9_B     A     9_B     30   58  126     11   23   61   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     K    10_B     K    10_B     34   58  126     11   42   73   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     E    11_B     E    11_B     34   58  126     11   20   59   83   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     A    12_B     A    12_B     34   58  126     11   26   65   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     I    13_B     I    13_B     34   58  126     11   55   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     I    14_B     I    14_B     34   58  126     13   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     A    15_B     A    15_B     34   58  126     21   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     M    16_B     M    16_B     34   58  126     18   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     L    17_B     L    17_B     34   58  126     12   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     K    18_B     K    18_B     34   58  126     11   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     E    19_B     E    19_B     34   58  126     26   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     W    20_B     W    20_B     34   58  126     12   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     Y    21_B     Y    21_B     34   58  126     10   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     D    22_B     D    22_B     34   58  126     11   54   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     A    23_B     A    23_B     34   58  126     10   50   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     M    24_B     M    24_B     34   58  126     10   35   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     N    25_B     N    25_B     34   58  126     10   31   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     E    26_B     E    26_B     34   58  126     10   35   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     G    27_B     G    27_B     34   58  126     10   35   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     D    28_B     D    28_B     34   58  126     11   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     M    29_B     M    29_B     34   58  126      7   54   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     E    30_B     E    30_B     34   58  126     16   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     K    31_B     K    31_B     34   58  126     21   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     L    32_B     L    32_B     34   58  126      8   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     R    33_B     R    33_B     34   58  126     19   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     S    34_B     S    34_B     34   58  126     25   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     L    35_B     L    35_B     34   58  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     V    36_B     V    36_B     34   58  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     D    37_B     D    37_B     34   58  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     P    38_B     P    38_B     34   58  126     23   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     D    39_B     D    39_B     34   58  126     12   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     A    40_B     A    40_B     34   58  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     S    41_B     S    41_B     34   58  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     F    42_B     F    42_B     34   58  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     V    43_B     V    43_B     34   58  126     18   58   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     D    44_B     D    44_B     19   58  126      8   18   38   74   91   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     A    45_B     A    45_B      4   58  126      3    4   10   28   53   68   80  100  109  114  117  120  121  122  122  123  124  124  124  124 
LCS_GDT     R    46_B     R    46_B      5   58  126      3    5   10   17   26   32   54   72   81  101  112  117  120  122  122  123  124  124  124  124 
LCS_GDT     T    47_B     T    47_B      5   58  126      4   14   31   61   87   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     N    48_B     N    48_B     12   58  126      4   17   36   73   89   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     Q    49_B     Q    49_B     12   58  126     10   57   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     V    50_B     V    50_B     12   58  126     12   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     Y    51_B     Y    51_B     12   58  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     D    52_B     D    52_B     12   58  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     K    53_B     K    53_B     12   58  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     D    54_B     D    54_B     12   58  126     27   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     Q    55_B     Q    55_B     12   58  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     F    56_B     F    56_B     12   58  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     L    57_B     L    57_B     12   58  126     21   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     Q    58_B     Q    58_B     12   58  126     19   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     M    59_B     M    59_B     12   58  126      5   19   58   79   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     I    60_B     I    60_B     12   58  126      5   13   35   59   87   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     K    61_B     K    61_B     12   58  126      5   16   36   59   87   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     E    62_B     E    62_B     12   58  126      5   15   30   49   68   94  101  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     A    63_B     A    63_B     11   58  126      5    7   15   35   54   67   80   99  109  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     L    64_B     L    64_B      3   58  126      3    3    4   34   47   70   93  100  107  112  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     E    65_B     E    65_B      3    5  126      3   19   67   85   92   97  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     Q    66_B     Q    66_B      4    6  126      3    7   11   20   49   83  100  105  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     D    67_B     D    67_B      4    8  126      3    4    4    5   13   30   96  104  110  113  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     L    68_B     L    68_B      5    8  126      3    7   26   53   77   92  100  106  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     K    69_B     K    69_B      5    8  126     10   36   66   79   92   97  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     V    70_B     V    70_B      5    8  126      8   57   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     E    71_B     E    71_B      5    8  126     10   54   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     V    72_B     V    72_B      5    8  126      8   56   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     K    73_B     K    73_B      5    8  126     18   58   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     S    74_B     S    74_B      3    8  126      3    8   16   27   74   95  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     I    75_B     I    75_B      3    8  126      3    3    6   15   21   30   61   79  103  111  117  120  121  122  122  123  124  124  124  124 
LCS_GDT     D    76_B     D    76_B      5    8  126      3    4    5   11   73   91  102  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     I    77_B     I    77_B      5    8  126      3   11   23   36   57   74   89  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     E    78_B     E    78_B      5    8  126      3   16   35   53   79   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     Q    79_B     Q    79_B      5    9  126      3    4   12   15   50   56   86   96  107  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     Q    80_B     Q    80_B      5    9  126      3    6   23   36   54   83   99  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     P    81_B     P    81_B      5   47  126      3    4    5    6   20   29   40   69  106  112  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     D    82_B     D    82_B      4   47  126      4   21   44   77   91   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     G    83_B     G    83_B     14   47  126     19   58   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     D    84_B     D    84_B     14   47  126      6   39   70   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     V    85_B     V    85_B     14   47  126     22   50   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     V    86_B     V    86_B     14   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     I    87_B     I    87_B     14   47  126     28   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     V    88_B     V    88_B     14   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     K    89_B     K    89_B     14   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     V    90_B     V    90_B     14   47  126      8   39   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     K    91_B     K    91_B     14   47  126     25   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     V    92_B     V    92_B     14   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     R    93_B     R    93_B     14   47  126     27   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     A    94_B     A    94_B     14   47  126     27   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     T    95_B     T    95_B     14   47  126     26   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     M    96_B     M    96_B     14   47  126      6   47   73   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     V    97_B     V    97_B     10   47  126      6   13   36   71   90   96  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     R    98_B     R    98_B      9   47  126      6    7   11   14   22   44   61   99  108  112  116  120  121  122  122  123  124  124  124  124 
LCS_GDT     Q   101_B     Q   101_B      9   47  126      6    7   11   15   42   63   86  101  108  112  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     E   102_B     E   102_B      9   47  126      6   14   38   66   90   96  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     H   103_B     H   103_B     27   47  126      6   32   73   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     V   104_B     V   104_B     27   47  126     12   56   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     F   105_B     F   105_B     27   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     E   106_B     E   106_B     27   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     V   107_B     V   107_B     27   47  126     25   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     V   108_B     V   108_B     27   47  126     25   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     D   109_B     D   109_B     27   47  126     22   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     T   110_B     T   110_B     27   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     Y   111_B     Y   111_B     27   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     E   112_B     E   112_B     27   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     F   113_B     F   113_B     27   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     R   114_B     R   114_B     27   47  126     28   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     R   115_B     R   115_B     27   47  126     18   50   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     K   116_B     K   116_B     27   47  126     26   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     G   117_B     G   117_B     27   47  126      3   38   59   81   91   97  103  107  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     D   118_B     D   118_B     27   47  126      3   23   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     S   119_B     S   119_B     27   47  126      3   39   60   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     W   120_B     W   120_B     27   47  126     18   40   73   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     K   121_B     K   121_B     27   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     I   122_B     I   122_B     27   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     V   123_B     V   123_B     27   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     K   124_B     K   124_B     27   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     L   125_B     L   125_B     27   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     V   126_B     V   126_B     27   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     S   127_B     S   127_B     27   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     E   128_B     E   128_B     27   47  126     29   59   74   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     I   129_B     I   129_B     27   47  126     12   39   73   85   92   99  104  108  111  114  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     T   130_B     T   130_B      4   47  126      3    4   12   23   74   89   97  104  110  113  118  120  121  122  122  123  124  124  124  124 
LCS_GDT     Q   131_B     Q   131_B      4   28  126      3    4    4    5    5   18   24   31   31   40   60   87  113  118  121  122  124  124  124  124 
LCS_GDT     L   132_B     L   132_B      4    5  126      3    4    4    5   15   18   24   47   74   97  103  111  115  121  122  123  124  124  124  124 
LCS_GDT     G   133_B     G   133_B      4    5  126      3    4    4    5    7    8   14   16   22   34   47   54   66   78   86  106  109  111  116  124 
LCS_GDT     S   134_B     S   134_B      3    5  126      3    3    4    5    7    8   14   16   22   34   37   42   62   68   83   86   95  105  112  117 
LCS_AVERAGE  LCS_A:  50.81  (  15.97   36.46  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     29     59     74     85     92     99    104    108    111    114    118    120    121    122    122    123    124    124    124    124 
GDT PERCENT_AT  23.02  46.83  58.73  67.46  73.02  78.57  82.54  85.71  88.10  90.48  93.65  95.24  96.03  96.83  96.83  97.62  98.41  98.41  98.41  98.41
GDT RMS_LOCAL    0.34   0.64   0.80   1.00   1.19   1.54   1.67   1.90   1.98   2.18   2.39   2.51   2.56   2.64   2.64   2.77   2.90   2.90   2.90   2.90
GDT RMS_ALL_AT   3.57   3.56   3.56   3.55   3.54   3.56   3.55   3.58   3.57   3.60   3.57   3.57   3.58   3.59   3.59   3.56   3.54   3.54   3.54   3.54

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_B
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  E    19_B      E    19_B
#   possible swapping detected:  F    42_B      F    42_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  E    62_B      E    62_B
#   possible swapping detected:  D    67_B      D    67_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  E   102_B      E   102_B
#   possible swapping detected:  F   105_B      F   105_B
#   possible swapping detected:  E   106_B      E   106_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  F   113_B      F   113_B
#   possible swapping detected:  D   118_B      D   118_B
#   possible swapping detected:  E   128_B      E   128_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     2.760     0    0.682   1.157     6.436   50.714   38.360
LGA    E     8_B      E     8_B     3.200     0    0.060   0.899     6.886   55.357   38.677
LGA    A     9_B      A     9_B     2.001     0    0.061   0.065     2.397   73.095   73.048
LGA    K    10_B      K    10_B     1.231     0    0.082   0.191     1.578   81.429   79.524
LGA    E    11_B      E    11_B     2.116     0    0.041   0.679     5.294   70.833   52.487
LGA    A    12_B      A    12_B     1.836     0    0.018   0.035     2.084   77.143   74.667
LGA    I    13_B      I    13_B     1.126     0    0.054   1.139     2.722   85.952   79.583
LGA    I    14_B      I    14_B     0.726     0    0.027   0.294     1.447   90.476   89.405
LGA    A    15_B      A    15_B     0.766     0    0.025   0.032     0.920   90.476   90.476
LGA    M    16_B      M    16_B     1.026     0    0.046   1.328     5.695   83.690   68.214
LGA    L    17_B      L    17_B     1.150     0    0.037   1.093     3.048   81.429   76.726
LGA    K    18_B      K    18_B     1.112     0    0.018   1.138     7.473   81.429   58.942
LGA    E    19_B      E    19_B     0.840     0    0.029   1.049     3.377   90.476   77.460
LGA    W    20_B      W    20_B     1.103     0    0.054   1.640     5.251   83.690   67.313
LGA    Y    21_B      Y    21_B     1.276     0    0.046   0.111     3.114   79.286   72.500
LGA    D    22_B      D    22_B     1.337     0    0.038   1.008     4.334   79.286   68.750
LGA    A    23_B      A    23_B     1.637     0    0.035   0.035     1.736   75.000   74.571
LGA    M    24_B      M    24_B     1.848     0    0.041   0.608     2.923   70.833   69.881
LGA    N    25_B      N    25_B     1.900     0    0.068   1.050     3.229   68.810   73.571
LGA    E    26_B      E    26_B     1.819     0    0.102   0.826     3.084   70.833   65.979
LGA    G    27_B      G    27_B     1.889     0    0.066   0.066     1.934   72.857   72.857
LGA    D    28_B      D    28_B     1.162     0    0.057   0.074     1.419   81.429   81.429
LGA    M    29_B      M    29_B     1.202     0    0.102   0.341     4.488   85.952   70.238
LGA    E    30_B      E    30_B     0.624     0    0.034   1.232     6.275   90.476   66.561
LGA    K    31_B      K    31_B     0.768     0    0.036   0.538     1.644   88.214   87.566
LGA    L    32_B      L    32_B     1.169     0    0.033   0.075     1.467   81.429   81.429
LGA    R    33_B      R    33_B     1.030     0    0.048   1.094     6.566   85.952   63.074
LGA    S    34_B      S    34_B     0.666     0    0.179   0.255     1.387   88.214   88.968
LGA    L    35_B      L    35_B     0.505     0    0.175   0.943     2.367   92.857   86.429
LGA    V    36_B      V    36_B     0.800     0    0.053   0.088     0.862   90.476   90.476
LGA    D    37_B      D    37_B     1.000     0    0.056   0.240     1.239   85.952   87.083
LGA    P    38_B      P    38_B     1.134     0    0.048   0.093     1.532   85.952   82.789
LGA    D    39_B      D    39_B     0.564     0    0.220   0.378     3.796   88.214   75.833
LGA    A    40_B      A    40_B     0.953     0    0.069   0.090     1.350   90.476   88.667
LGA    S    41_B      S    41_B     0.461     0    0.142   0.642     2.431   95.238   90.952
LGA    F    42_B      F    42_B     0.510     0    0.065   0.968     5.987   95.238   63.939
LGA    V    43_B      V    43_B     0.954     0    0.075   1.011     2.988   88.214   81.837
LGA    D    44_B      D    44_B     2.627     0    0.258   0.515     5.617   57.500   45.536
LGA    A    45_B      A    45_B     6.062     0    0.070   0.069     7.378   17.976   16.381
LGA    R    46_B      R    46_B     7.687     0    0.673   0.905    13.424   10.238    3.983
LGA    T    47_B      T    47_B     3.846     0    0.621   1.397     5.179   36.071   42.109
LGA    N    48_B      N    48_B     3.264     0    0.503   0.433     4.872   51.786   44.643
LGA    Q    49_B      Q    49_B     0.898     0    0.123   1.154     6.145   86.071   63.704
LGA    V    50_B      V    50_B     0.741     0    0.616   1.358     3.786   80.357   69.660
LGA    Y    51_B      Y    51_B     0.944     0    0.144   0.249     2.565   90.476   80.357
LGA    D    52_B      D    52_B     0.885     0    0.025   1.191     3.977   90.476   78.036
LGA    K    53_B      K    53_B     0.451     0    0.037   0.622     2.587   97.619   92.063
LGA    D    54_B      D    54_B     0.543     0    0.062   0.057     1.307   95.238   90.595
LGA    Q    55_B      Q    55_B     0.674     0    0.026   1.265     4.963   90.476   74.180
LGA    F    56_B      F    56_B     0.481     0    0.028   0.404     2.000   97.619   87.446
LGA    L    57_B      L    57_B     0.277     0    0.023   0.230     0.555  100.000   96.429
LGA    Q    58_B      Q    58_B     0.384     0    0.023   1.459     4.574   88.571   73.069
LGA    M    59_B      M    59_B     2.353     0    0.040   0.342     3.807   61.190   55.714
LGA    I    60_B      I    60_B     3.214     0    0.021   1.092     6.104   48.571   43.988
LGA    K    61_B      K    61_B     3.342     0    0.072   0.893     6.739   42.619   37.989
LGA    E    62_B      E    62_B     4.336     0    0.097   1.387     6.458   32.024   34.286
LGA    A    63_B      A    63_B     6.040     0    0.340   0.339     8.701   22.738   18.762
LGA    L    64_B      L    64_B     5.708     0    0.117   1.365    11.021   29.286   16.667
LGA    E    65_B      E    65_B     2.789     0    0.583   1.273     7.266   49.524   32.328
LGA    Q    66_B      Q    66_B     4.412     0    0.564   1.268    11.876   46.905   24.127
LGA    D    67_B      D    67_B     4.811     0    0.453   1.102     9.476   37.381   21.310
LGA    L    68_B      L    68_B     4.489     0    0.596   1.440     8.975   37.262   22.500
LGA    K    69_B      K    69_B     3.088     0    0.055   0.817     8.685   59.405   34.339
LGA    V    70_B      V    70_B     1.702     0    0.191   1.074     3.384   68.810   69.796
LGA    E    71_B      E    71_B     1.938     0    0.049   1.034     3.940   72.857   68.836
LGA    V    72_B      V    72_B     1.831     0    0.067   1.042     3.752   70.833   68.707
LGA    K    73_B      K    73_B     1.940     0    0.589   1.258     2.519   72.976   72.275
LGA    S    74_B      S    74_B     3.642     0    0.068   0.627     4.792   40.833   42.937
LGA    I    75_B      I    75_B     6.459     0    0.229   1.288    11.378   20.357   10.952
LGA    D    76_B      D    76_B     4.580     0    0.492   0.712     6.434   32.857   29.702
LGA    I    77_B      I    77_B     5.309     0    0.032   1.043     7.931   28.810   24.048
LGA    E    78_B      E    78_B     4.013     0    0.086   0.929     5.307   32.976   40.265
LGA    Q    79_B      Q    79_B     6.092     0    0.031   1.169    13.564   21.786   10.529
LGA    Q    80_B      Q    80_B     5.032     0    0.181   1.344     7.114   26.190   27.672
LGA    P    81_B      P    81_B     6.805     0    0.753   0.635    10.479   21.071   12.857
LGA    D    82_B      D    82_B     3.025     0    0.141   1.301     5.172   52.857   48.512
LGA    G    83_B      G    83_B     1.943     0    0.512   0.512     1.943   75.000   75.000
LGA    D    84_B      D    84_B     2.574     0    0.215   1.085     3.960   60.952   54.643
LGA    V    85_B      V    85_B     1.553     0    0.037   0.124     1.999   77.143   75.306
LGA    V    86_B      V    86_B     0.843     0    0.086   0.198     1.027   90.476   90.544
LGA    I    87_B      I    87_B     0.855     0    0.056   1.220     2.666   90.476   78.750
LGA    V    88_B      V    88_B     0.555     0    0.075   1.046     2.238   90.476   84.490
LGA    K    89_B      K    89_B     0.866     0    0.112   0.672     6.368   85.952   61.746
LGA    V    90_B      V    90_B     1.841     0    0.141   1.107     3.797   79.286   70.000
LGA    K    91_B      K    91_B     1.011     0    0.021   0.954     5.449   81.429   69.471
LGA    V    92_B      V    92_B     1.051     0    0.037   1.102     3.488   85.952   78.299
LGA    R    93_B      R    93_B     1.193     0    0.041   0.557     2.758   81.429   72.424
LGA    A    94_B      A    94_B     1.188     0    0.024   0.028     1.196   81.429   81.429
LGA    T    95_B      T    95_B     1.239     0    0.045   1.111     2.028   77.143   75.374
LGA    M    96_B      M    96_B     1.968     0    0.116   0.651     4.124   70.952   58.929
LGA    V    97_B      V    97_B     3.268     0    0.247   0.341     5.374   43.095   44.422
LGA    R    98_B      R    98_B     6.224     0    0.134   1.127    15.629   17.143    7.835
LGA    Q   101_B      Q   101_B     6.422     0    0.155   0.926     9.862   19.881   11.587
LGA    E   102_B      E   102_B     3.589     0    0.049   0.789     6.079   42.024   34.815
LGA    H   103_B      H   103_B     1.787     0    0.045   1.188     8.070   75.119   46.524
LGA    V   104_B      V   104_B     0.974     0    0.039   1.045     2.583   88.214   80.612
LGA    F   105_B      F   105_B     1.058     0    0.065   0.264     5.167   88.214   59.307
LGA    E   106_B      E   106_B     0.960     0    0.041   1.084     4.242   83.690   70.582
LGA    V   107_B      V   107_B     1.345     0    0.125   1.095     3.042   81.429   73.333
LGA    V   108_B      V   108_B     1.113     0    0.062   0.133     1.444   83.690   82.721
LGA    D   109_B      D   109_B     0.979     0    0.100   0.281     1.802   85.952   84.881
LGA    T   110_B      T   110_B     0.482     0    0.083   0.097     1.231   95.238   90.612
LGA    Y   111_B      Y   111_B     0.255     0    0.047   0.307     3.227   95.238   81.508
LGA    E   112_B      E   112_B     0.650     0    0.041   0.809     2.727   90.476   79.101
LGA    F   113_B      F   113_B     0.610     0    0.033   1.414     7.537   90.476   58.528
LGA    R   114_B      R   114_B     1.101     0    0.052   0.763     6.582   83.690   56.320
LGA    R   115_B      R   115_B     1.330     0    0.102   1.235     3.934   83.690   62.381
LGA    K   116_B      K   116_B     0.633     0    0.299   1.218     5.068   85.952   72.328
LGA    G   117_B      G   117_B     3.258     0    0.603   0.603     5.482   46.071   46.071
LGA    D   118_B      D   118_B     2.169     0    0.206   0.985     3.220   59.167   64.107
LGA    S   119_B      S   119_B     2.738     0    0.104   0.627     3.442   64.881   61.111
LGA    W   120_B      W   120_B     1.682     0    0.122   0.186     4.319   72.976   55.340
LGA    K   121_B      K   121_B     0.998     0    0.044   0.623     2.491   88.214   83.598
LGA    I   122_B      I   122_B     0.490     0    0.058   1.251     2.543   90.595   81.131
LGA    V   123_B      V   123_B     0.589     0    0.141   0.141     1.157   88.214   89.184
LGA    K   124_B      K   124_B     0.473     0    0.063   0.698     3.755  100.000   87.460
LGA    L   125_B      L   125_B     0.362     0    0.171   1.283     4.339  100.000   82.143
LGA    V   126_B      V   126_B     0.247     0    0.097   1.069     2.715  100.000   88.844
LGA    S   127_B      S   127_B     0.639     0    0.080   0.653     2.977   90.476   84.921
LGA    E   128_B      E   128_B     0.811     0    0.119   0.731     2.566   81.786   77.037
LGA    I   129_B      I   129_B     2.128     0    0.580   1.145     5.901   61.667   51.548
LGA    T   130_B      T   130_B     5.064     0    0.588   1.261     8.192   21.071   18.571
LGA    Q   131_B      Q   131_B    10.456     0    0.062   1.155    17.850    1.667    0.741
LGA    L   132_B      L   132_B     9.454     0    0.664   0.602    12.614    0.357    7.619
LGA    G   133_B      G   133_B    15.259     0    0.293   0.293    16.106    0.000    0.000
LGA    S   134_B      S   134_B    17.998     0    0.750   0.903    21.588    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):     3.511          3.572                  4.234           68.861   60.959

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    108    1.90    74.405    67.949     5.411

LGA_LOCAL      RMSD:   1.896  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.578  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   3.511  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.435028 * X  +  -0.672147 * Y  +  -0.599141 * Z  +  67.702438
  Y_new =  -0.490763 * X  +   0.734878 * Y  +  -0.468088 * Z  +  44.488461
  Z_new =   0.754919 * X  +   0.090405 * Y  +  -0.649557 * Z  +   0.014759 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.296065 -0.855531  3.003302   [DEG: -131.5548  -49.0183  172.0765 ]
ZXZ: -0.907584  2.277798  1.451610   [DEG:  -52.0007  130.5082   83.1711 ]
 
# END of job
