
#######################################################
#                                                     #
#                        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  143 ( 1148),  selected  133 , name one
# Molecule2: number of CA atoms  141 ( 1116),  selected  133 , 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:   133       5_B - 147_B       4.24     4.24
  LCS_AVERAGE:     94.33

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    69       5_B - 73_B        1.81     4.50
  LCS_AVERAGE:     43.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    55      93_B - 147_B       0.96     4.82
  LCS_AVERAGE:     27.29

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  133
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     39   69  133     45   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     Y     6_B     Y     6_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     G     7_B     G     7_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     R     8_B     R     8_B     39   69  133     29   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     Y     9_B     Y     9_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     E    10_B     E    10_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     W    11_B     W    11_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     V    12_B     V    12_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     S    13_B     S    13_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     L    14_B     L    14_B     39   69  133     53   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     P    15_B     P    15_B     39   69  133      5   70   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     E    16_B     E    16_B     39   69  133     19   70   84   99  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     L    17_B     L    17_B     39   69  133      3    4   36   87  100  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     D    18_B     D    18_B     39   69  133      4    8   67   98  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     R    19_B     R    19_B     39   69  133     33   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     T    20_B     T    20_B     39   69  133     45   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     L    21_B     L    21_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     Q    22_B     Q    22_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     A    23_B     A    23_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     K    24_B     K    24_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     M    25_B     M    25_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     D    26_B     D    26_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     T    27_B     T    27_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     G    28_B     G    28_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     A    29_B     A    29_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     Y    30_B     Y    30_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     T    31_B     T    31_B     39   69  133     52   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     S    32_B     S    32_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     S    33_B     S    33_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     L    34_B     L    34_B     39   69  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     S    35_B     S    35_B     39   69  133     35   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     A    36_B     A    36_B     39   69  133     33   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     K    37_B     K    37_B     39   69  133     16   66   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     D    38_B     D    38_B     39   69  133     16   47   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     I    39_B     I    39_B     39   69  133     16   56   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     E    40_B     E    40_B     39   69  133     16   47   86  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     L    41_B     L    41_B     39   69  133     15   50   86  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     F    42_B     F    42_B     39   69  133     11   45   74   97  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     Q    43_B     Q    43_B     39   69  133     16   42   70   98  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     R    44_B     R    44_B     27   69  133     11   27   48   87  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     D    45_B     D    45_B     25   69  133     11   30   52   96  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     G    46_B     G    46_B     25   69  133     13   32   64  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     E    47_B     E    47_B     25   69  133     13   32   64  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     E    48_B     E    48_B     25   69  133     16   61   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     W    49_B     W    49_B     25   69  133     16   42   87  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     V    50_B     V    50_B     25   69  133     20   61   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     R    51_B     R    51_B     25   69  133     21   46   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     F    52_B     F    52_B     25   69  133     21   59   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     R    53_B     R    53_B     25   69  133     21   65   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     L    54_B     L    54_B     25   69  133     21   72   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     A    55_B     A    55_B     25   69  133      5   20   41   82  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     T    56_B     T    56_B     25   69  133      3   20   41   82  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     K    57_B     K    57_B     22   69  133      5   11   35   61   88  117  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     E    58_B     E    58_B      5   69  133      3    5   12   20   67  112  117  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     A    59_B     A    59_B      5   69  133      3    5   17   81  106  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     D    60_B     D    60_B      5   69  133      3   43   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     G    61_B     G    61_B     12   69  133     11   22   38   48   80  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     S    62_B     S    62_B     12   69  133     11   22   38   47   65  101  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     V    63_B     V    63_B     12   69  133     11   30   45   84  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     F    64_B     F    64_B     12   69  133     16   30   52   96  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     E    65_B     E    65_B     12   69  133     16   32   62  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     H    66_B     H    66_B     12   69  133     16   30   58  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     K    67_B     K    67_B     12   69  133     16   30   55  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     L    68_B     L    68_B     12   69  133     16   62   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     A    69_B     A    69_B     12   69  133     16   56   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     R    70_B     R    70_B     12   69  133      8   32   85  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     I    71_B     I    71_B     12   69  133      8   29   82  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     G    72_B     G    72_B     12   69  133      6   29   82  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     K    73_B     K    73_B      3   69  133      3    3   21   41   60   87  107  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     I    74_B     I    74_B      3    5  133      3    3    4    5    6    8    8    8   15   43   58   80   95  105  127  128  128  128  130  130 
LCS_GDT     D    85_B     D    85_B      3    7  133      3    3    5    6    6    7    9   16   19   21   43   46   51   61   70   89   93   97  109  113 
LCS_GDT     E    86_B     E    86_B      5    7  133      4    4    5    6    6    9    9   10   15   16   18   20   21   29   42   47   62   69   74   82 
LCS_GDT     D    87_B     D    87_B      5    7  133      4    4    5    6    6    9    9   10   15   28   39   42   51   59   65   72   79   87   90   94 
LCS_GDT     E    88_B     E    88_B      5    7  133      4    4    6   18   23   29   36   41   46   56   72   77   86  101  114  126  129  129  130  130 
LCS_GDT     D    89_B     D    89_B      5    7  133      4    4    5    6   25   30   37   43   51   63   72   81   89  105  114  128  129  129  130  130 
LCS_GDT     R    90_B     R    90_B      5   58  133      4    5    6   23   39   57   76   99  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     L    91_B     L    91_B      5   58  133      4   14   37   57   93  117  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     S    92_B     S    92_B     24   58  133      4    9   34   56   95  117  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     E    93_B     E    93_B     55   58  133      6   65   82  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     R    94_B     R    94_B     55   58  133     17   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     P    95_B     P    95_B     55   58  133     10   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     V    96_B     V    96_B     55   58  133     36   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     I    97_B     I    97_B     55   58  133     52   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     D    98_B     D    98_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     L    99_B     L    99_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     Q   100_B     Q   100_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     V   101_B     V   101_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     C   102_B     C   102_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     L   103_B     L   103_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     G   104_B     G   104_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     G   105_B     G   105_B     55   58  133     50   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     A   106_B     A   106_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     M   107_B     M   107_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     K   108_B     K   108_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     T   109_B     T   109_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     I   110_B     I   110_B     55   58  133     38   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     E   111_B     E   111_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     V   112_B     V   112_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     N   113_B     N   113_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     L   114_B     L   114_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     T   115_B     T   115_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     D   116_B     D   116_B     55   58  133      3   22   64   85  106  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     R   117_B     R   117_B     55   58  133      3    9   20   38   69   84  118  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     S   118_B     S   118_B     55   58  133      7   22   64   98  109  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     A   119_B     A   119_B     55   58  133     38   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     F   120_B     F   120_B     55   58  133     31   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     N   121_B     N   121_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     Y   122_B     Y   122_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     P   123_B     P   123_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     F   124_B     F   124_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     L   125_B     L   125_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     M   126_B     M   126_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     G   127_B     G   127_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     T   128_B     T   128_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     K   129_B     K   129_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     G   130_B     G   130_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     L   131_B     L   131_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     R   132_B     R   132_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     K   133_B     K   133_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     F   134_B     F   134_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     H   135_B     H   135_B     55   58  133     28   74   87  102  112  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     V   136_B     V   136_B     55   58  133      6   68   87  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     A   137_B     A   137_B     55   58  133     45   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     V   138_B     V   138_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     D   139_B     D   139_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     P   140_B     P   140_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     S   141_B     S   141_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     E   142_B     E   142_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     R   143_B     R   143_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     F   144_B     F   144_B     55   58  133     56   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     V   145_B     V   145_B     55   58  133     48   74   88  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     A   146_B     A   146_B     55   58  133      8   70   86  102  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_GDT     D   147_B     D   147_B     55   58  133      0   12   66   98  113  118  122  124  126  127  127  127  127  127  127  128  129  129  130  130 
LCS_AVERAGE  LCS_A:  55.05  (  27.29   43.54   94.33 )

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     74     88    102    113    118    122    124    126    127    127    127    127    127    127    128    129    129    130    130 
GDT PERCENT_AT  39.72  52.48  62.41  72.34  80.14  83.69  86.52  87.94  89.36  90.07  90.07  90.07  90.07  90.07  90.07  90.78  91.49  91.49  92.20  92.20
GDT RMS_LOCAL    0.33   0.48   0.86   1.10   1.38   1.46   1.58   1.66   1.77   1.89   1.89   1.89   1.89   1.89   1.89   2.16   2.65   2.65   2.83   2.83
GDT RMS_ALL_AT   4.81   4.76   4.65   4.64   4.61   4.61   4.58   4.55   4.52   4.49   4.49   4.49   4.49   4.49   4.49   4.46   4.37   4.37   4.35   4.35

# Checking swapping
#   possible swapping detected:  E    16_B      E    16_B
#   possible swapping detected:  D    18_B      D    18_B
#   possible swapping detected:  Y    30_B      Y    30_B
#   possible swapping detected:  D    38_B      D    38_B
#   possible swapping detected:  F    42_B      F    42_B
#   possible swapping detected:  E    47_B      E    47_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  E    86_B      E    86_B
#   possible swapping detected:  D    87_B      D    87_B
#   possible swapping detected:  E    88_B      E    88_B
#   possible swapping detected:  D    89_B      D    89_B
#   possible swapping detected:  D   116_B      D   116_B
#   possible swapping detected:  F   120_B      F   120_B
#   possible swapping detected:  Y   122_B      Y   122_B
#   possible swapping detected:  F   134_B      F   134_B
#   possible swapping detected:  F   144_B      F   144_B
#   possible swapping detected:  D   147_B      D   147_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     5_B      L     5_B     1.542     0    0.155   0.909     3.643   79.286   70.417
LGA    Y     6_B      Y     6_B     1.149     0    0.027   0.653     2.522   81.429   75.159
LGA    G     7_B      G     7_B     0.880     0    0.051   0.051     0.998   90.476   90.476
LGA    R     8_B      R     8_B     1.277     0    0.007   0.814     3.149   85.952   74.892
LGA    Y     9_B      Y     9_B     0.481     0    0.023   0.243     1.517   97.619   88.373
LGA    E    10_B      E    10_B     0.140     0    0.054   0.074     0.680   97.619   96.825
LGA    W    11_B      W    11_B     0.676     0    0.024   0.059     1.622   92.857   84.762
LGA    V    12_B      V    12_B     0.624     0    0.052   0.080     0.969   90.476   93.197
LGA    S    13_B      S    13_B     0.801     0    0.071   0.695     2.813   90.476   84.921
LGA    L    14_B      L    14_B     1.341     0    0.035   1.108     3.820   81.429   75.595
LGA    P    15_B      P    15_B     1.365     0    0.105   0.116     1.659   79.286   78.980
LGA    E    16_B      E    16_B     2.105     0    0.038   0.521     4.227   61.190   56.772
LGA    L    17_B      L    17_B     3.120     0    0.146   0.184     5.472   53.571   44.167
LGA    D    18_B      D    18_B     2.300     0    0.052   0.162     4.532   62.857   53.274
LGA    R    19_B      R    19_B     0.955     0    0.146   0.834     4.959   83.690   69.654
LGA    T    20_B      T    20_B     0.942     0    0.031   0.088     1.125   90.476   87.891
LGA    L    21_B      L    21_B     0.805     0    0.049   0.127     0.857   90.476   90.476
LGA    Q    22_B      Q    22_B     0.796     0    0.057   0.162     1.671   90.476   84.550
LGA    A    23_B      A    23_B     0.129     0    0.019   0.036     0.252  100.000  100.000
LGA    K    24_B      K    24_B     0.504     0    0.014   0.566     2.000   92.857   85.714
LGA    M    25_B      M    25_B     0.778     0    0.016   0.650     2.217   90.476   85.000
LGA    D    26_B      D    26_B     0.548     0    0.078   0.160     0.881   90.476   91.667
LGA    T    27_B      T    27_B     0.748     0    0.041   0.048     1.126   90.476   87.891
LGA    G    28_B      G    28_B     0.680     0    0.156   0.156     0.717   92.857   92.857
LGA    A    29_B      A    29_B     0.961     0    0.092   0.128     1.098   88.214   88.667
LGA    Y    30_B      Y    30_B     0.853     0    0.073   0.114     1.872   90.595   83.095
LGA    T    31_B      T    31_B     0.284     0    0.048   0.841     2.525  100.000   87.483
LGA    S    32_B      S    32_B     0.221     0    0.024   0.049     0.536   97.619   96.825
LGA    S    33_B      S    33_B     0.682     0    0.032   0.658     1.977   90.476   87.540
LGA    L    34_B      L    34_B     1.181     0    0.021   0.061     1.259   83.690   82.560
LGA    S    35_B      S    35_B     1.463     0    0.102   0.132     2.058   83.690   77.381
LGA    A    36_B      A    36_B     0.573     0    0.018   0.022     1.085   88.214   90.571
LGA    K    37_B      K    37_B     0.717     0    0.015   0.855     4.402   92.857   75.767
LGA    D    38_B      D    38_B     1.227     0    0.067   0.754     3.529   81.429   68.869
LGA    I    39_B      I    39_B     1.253     0    0.099   0.136     1.520   79.286   80.357
LGA    E    40_B      E    40_B     1.727     0    0.088   0.706     2.761   77.143   69.418
LGA    L    41_B      L    41_B     1.697     0    0.061   0.125     2.505   66.905   70.952
LGA    F    42_B      F    42_B     2.555     0    0.084   1.270     3.745   66.905   64.675
LGA    Q    43_B      Q    43_B     2.461     0    0.042   1.145     5.078   59.167   56.508
LGA    R    44_B      R    44_B     3.446     0    0.042   1.011     5.931   53.571   45.152
LGA    D    45_B      D    45_B     3.011     0    0.042   0.940     3.423   53.571   58.333
LGA    G    46_B      G    46_B     1.941     0    0.012   0.012     2.292   70.833   70.833
LGA    E    47_B      E    47_B     2.081     0    0.083   1.087     4.323   66.786   56.190
LGA    E    48_B      E    48_B     0.835     0    0.026   0.773     4.137   85.952   74.656
LGA    W    49_B      W    49_B     1.257     0    0.044   0.101     3.649   83.690   66.054
LGA    V    50_B      V    50_B     0.779     0    0.067   1.179     2.500   85.952   81.905
LGA    R    51_B      R    51_B     1.266     0    0.016   1.027     4.783   81.429   66.710
LGA    F    52_B      F    52_B     0.859     0    0.024   0.057     1.198   88.214   87.186
LGA    R    53_B      R    53_B     0.607     0    0.128   1.081     4.196   95.238   80.260
LGA    L    54_B      L    54_B     0.415     0    0.040   1.349     3.696   84.167   72.917
LGA    A    55_B      A    55_B     2.696     0    0.295   0.345     3.493   61.071   58.857
LGA    T    56_B      T    56_B     2.650     0    0.074   1.099     4.481   57.143   56.463
LGA    K    57_B      K    57_B     3.607     4    0.496   0.540     4.268   46.667   24.868
LGA    E    58_B      E    58_B     4.209     4    0.411   0.375     6.148   33.690   18.466
LGA    A    59_B      A    59_B     2.842     0    0.637   0.597     3.405   59.048   57.238
LGA    D    60_B      D    60_B     1.588     0    0.287   0.390     3.173   63.095   65.952
LGA    G    61_B      G    61_B     3.133     0    0.499   0.499     3.840   52.024   52.024
LGA    S    62_B      S    62_B     3.633     0    0.104   0.644     5.878   48.333   41.984
LGA    V    63_B      V    63_B     2.737     0    0.073   0.094     3.141   55.357   55.102
LGA    F    64_B      F    64_B     2.332     0    0.024   0.147     3.855   66.786   57.532
LGA    E    65_B      E    65_B     1.993     0    0.122   0.231     2.752   66.786   64.815
LGA    H    66_B      H    66_B     1.986     0    0.047   1.021     3.345   75.000   65.952
LGA    K    67_B      K    67_B     2.120     0    0.041   0.545     5.409   66.786   55.661
LGA    L    68_B      L    68_B     1.397     0    0.139   0.221     2.244   75.119   79.405
LGA    A    69_B      A    69_B     1.623     0    0.149   0.153     2.111   70.833   72.952
LGA    R    70_B      R    70_B     1.747     0    0.022   0.980     3.101   75.000   71.602
LGA    I    71_B      I    71_B     2.039     0    0.187   1.153     5.661   64.881   57.500
LGA    G    72_B      G    72_B     2.057     0    0.211   0.211     5.344   49.762   49.762
LGA    K    73_B      K    73_B     5.983     0    0.194   1.007     8.443   18.571   19.418
LGA    I    74_B      I    74_B    12.424     0    0.582   0.619    16.389    0.000    0.000
LGA    D    85_B      D    85_B    21.690     3    0.119   0.111    23.404    0.000    0.000
LGA    E    86_B      E    86_B    26.056     0    0.411   1.045    33.280    0.000    0.000
LGA    D    87_B      D    87_B    22.357     0    0.016   1.092    23.578    0.000    0.000
LGA    E    88_B      E    88_B    16.615     0    0.465   0.612    20.859    0.000    0.000
LGA    D    89_B      D    89_B    14.746     0    0.558   1.602    19.577    0.000    0.000
LGA    R    90_B      R    90_B     7.710     0    0.586   1.367    14.955    8.452    4.113
LGA    L    91_B      L    91_B     4.156     0    0.119   1.423     5.427   35.952   48.571
LGA    S    92_B      S    92_B     3.861     0    0.020   0.675     7.547   43.452   35.397
LGA    E    93_B      E    93_B     2.177     0    0.296   0.849     3.053   62.857   68.730
LGA    R    94_B      R    94_B     1.597     0    0.033   0.980     3.824   75.000   68.745
LGA    P    95_B      P    95_B     1.492     0    0.042   0.391     1.557   83.690   80.272
LGA    V    96_B      V    96_B     0.935     0    0.044   0.069     1.160   85.952   89.252
LGA    I    97_B      I    97_B     1.178     0    0.046   0.528     1.713   83.690   79.345
LGA    D    98_B      D    98_B     1.440     0    0.034   0.126     1.924   77.143   78.214
LGA    L    99_B      L    99_B     1.422     0    0.063   0.188     1.731   81.429   80.357
LGA    Q   100_B      Q   100_B     1.533     0    0.047   0.740     3.915   79.286   73.492
LGA    V   101_B      V   101_B     1.179     0    0.019   0.054     1.287   81.429   81.429
LGA    C   102_B      C   102_B     0.850     0    0.067   0.264     0.993   90.476   92.063
LGA    L   103_B      L   103_B     0.564     0    0.034   0.058     0.667   90.476   94.048
LGA    G   104_B      G   104_B     0.878     0    0.042   0.042     1.020   88.214   88.214
LGA    G   105_B      G   105_B     0.825     0    0.051   0.051     1.047   88.214   88.214
LGA    A   106_B      A   106_B     0.776     0    0.046   0.074     0.833   90.476   90.476
LGA    M   107_B      M   107_B     1.008     0    0.056   1.098     3.666   83.690   73.690
LGA    K   108_B      K   108_B     1.273     0    0.012   0.790     2.116   79.286   73.016
LGA    T   109_B      T   109_B     1.457     0    0.031   0.083     1.839   77.143   76.531
LGA    I   110_B      I   110_B     1.560     0    0.144   1.299     3.462   77.143   73.214
LGA    E   111_B      E   111_B     0.892     0    0.040   0.599     2.248   90.595   86.667
LGA    V   112_B      V   112_B     0.655     0    0.034   1.083     2.982   90.476   81.905
LGA    N   113_B      N   113_B     0.836     0    0.026   0.135     1.190   90.476   88.214
LGA    L   114_B      L   114_B     0.945     0    0.026   0.037     0.945   90.476   90.476
LGA    T   115_B      T   115_B     1.086     0    0.067   1.113     2.514   77.381   75.646
LGA    D   116_B      D   116_B     3.005     0    0.576   1.288     8.262   52.024   36.310
LGA    R   117_B      R   117_B     4.440     0    0.478   1.233    11.720   41.786   18.485
LGA    S   118_B      S   118_B     2.841     0    0.150   0.155     3.409   59.167   58.492
LGA    A   119_B      A   119_B     1.314     0    0.637   0.571     3.464   69.286   71.714
LGA    F   120_B      F   120_B     0.816     0    0.042   1.396     7.778   81.548   53.680
LGA    N   121_B      N   121_B     1.212     0    0.025   0.041     1.937   81.429   78.214
LGA    Y   122_B      Y   122_B     0.848     0    0.040   0.190     1.830   90.476   83.056
LGA    P   123_B      P   123_B     0.702     0    0.023   0.064     0.858   90.476   90.476
LGA    F   124_B      F   124_B     0.641     0    0.025   0.187     0.819   95.238   94.805
LGA    L   125_B      L   125_B     0.394     0    0.072   0.243     1.443   97.619   94.107
LGA    M   126_B      M   126_B     0.340     0    0.011   0.106     0.442  100.000  100.000
LGA    G   127_B      G   127_B     0.446     0    0.029   0.029     0.699   95.238   95.238
LGA    T   128_B      T   128_B     0.843     0    0.022   0.035     1.140   88.214   86.599
LGA    K   129_B      K   129_B     0.882     0    0.041   0.168     2.221   88.214   81.746
LGA    G   130_B      G   130_B     0.759     0    0.028   0.028     0.975   90.476   90.476
LGA    L   131_B      L   131_B     0.773     0    0.017   0.076     1.022   88.214   89.345
LGA    R   132_B      R   132_B     1.272     0    0.017   0.111     1.557   81.429   79.870
LGA    K   133_B      K   133_B     1.380     0    0.059   1.101     6.299   79.286   63.228
LGA    F   134_B      F   134_B     1.188     0    0.029   0.158     1.336   81.429   86.364
LGA    H   135_B      H   135_B     1.829     0    0.033   1.005     7.674   72.857   45.810
LGA    V   136_B      V   136_B     1.554     0    0.090   1.331     3.623   72.857   68.707
LGA    A   137_B      A   137_B     1.455     0    0.097   0.112     1.818   75.000   76.286
LGA    V   138_B      V   138_B     1.399     0    0.047   0.109     1.502   79.286   80.204
LGA    D   139_B      D   139_B     1.240     0    0.085   0.142     1.412   81.429   81.429
LGA    P   140_B      P   140_B     1.191     0    0.054   0.335     1.334   81.429   81.429
LGA    S   141_B      S   141_B     1.153     0    0.078   0.605     3.605   81.429   75.079
LGA    E   142_B      E   142_B     0.995     0    0.048   0.153     1.586   90.476   84.497
LGA    R   143_B      R   143_B     0.838     0    0.051   0.876     3.014   90.476   80.519
LGA    F   144_B      F   144_B     0.480     0    0.032   0.229     0.608   95.238   97.403
LGA    V   145_B      V   145_B     1.119     0    0.198   0.208     1.394   81.429   81.429
LGA    A   146_B      A   146_B     1.654     0    0.608   0.550     3.440   67.143   66.667
LGA    D   147_B      D   147_B     2.211     0    0.084   1.138     5.021   57.738   53.750

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      133     532    532  100.00    1058   1058  100.00               141
SUMMARY(RMSD_GDC):     4.242          4.205                  4.735           69.784   65.926

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  143  141    4.0    124    1.66    75.887    70.823     7.054

LGA_LOCAL      RMSD:   1.658  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.550  Number of assigned atoms:  133 
Std_ASGN_ATOMS RMSD:   4.242  Standard rmsd on all 133 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.884282 * X  +  -0.463877 * Y  +  -0.053503 * Z  +   1.858640
  Y_new =  -0.166897 * X  +   0.206965 * Y  +   0.964008 * Z  +  10.082316
  Z_new =  -0.436108 * X  +   0.861385 * Y  +  -0.260435 * Z  +  49.177391 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.955050  0.451269  1.864403   [DEG: -169.3119   25.8558  106.8224 ]
ZXZ: -3.086149  1.834269 -0.468665   [DEG: -176.8233  105.0959  -26.8525 ]
 
# END of job
