
#######################################################
#                                                     #
#                        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  117 (  859),  selected  113 , name one
# Molecule2: number of CA atoms  113 (  828),  selected  113 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102       7_A - 108_A       4.94     5.85
  LCS_AVERAGE:     89.66

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    55      28_A - 82_A        1.95     7.93
  LONGEST_CONTINUOUS_SEGMENT:    55      29_A - 83_A        1.97     7.73
  LCS_AVERAGE:     44.16

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    39      42_A - 80_A        0.98     7.69
  LCS_AVERAGE:     24.92

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  113
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_A     E     7_A     17   43  102      6   24   33   44   54   60   64   70   74   77   81   88   92   95  100  103  104  105  106  107 
LCS_GDT     C     8_A     C     8_A     17   43  102     11   29   33   44   54   60   66   70   74   79   86   91   94   99  101  103  104  105  106  107 
LCS_GDT     A     9_A     A     9_A     17   43  102      9   25   33   44   54   60   66   70   74   79   86   91   94   99  101  103  104  105  106  107 
LCS_GDT     S    10_A     S    10_A     17   43  102     11   29   33   45   54   61   66   70   74   79   86   91   94   99  101  103  104  105  106  107 
LCS_GDT     N    11_A     N    11_A     17   43  102     11   29   33   47   54   61   66   70   74   80   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     P    12_A     P    12_A     17   43  102     11   29   33   47   54   61   66   70   74   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    13_A     C    13_A     17   43  102     12   29   35   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     L    14_A     L    14_A     17   43  102     12   29   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     N    15_A     N    15_A     17   43  102     12   29   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     Q    16_A     Q    16_A     17   43  102      8   29   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     G    17_A     G    17_A     17   43  102     12   29   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     T    18_A     T    18_A     17   43  102     12   29   35   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    19_A     C    19_A     17   43  102     12   29   33   47   54   61   66   70   74   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     I    20_A     I    20_A     17   43  102     12   29   33   44   54   60   66   70   74   79   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     D    21_A     D    21_A     17   43  102     12   29   33   44   54   60   64   70   74   79   86   91   94   99  101  103  104  105  106  107 
LCS_GDT     D    22_A     D    22_A     17   43  102      6   21   33   35   40   49   59   61   65   70   72   77   85   91   95   98  103  105  106  107 
LCS_GDT     V    23_A     V    23_A     17   43  102      3   17   27   35   36   38   44   49   55   61   66   68   73   74   78   80   85   93   97  100 
LCS_GDT     A    24_A     A    24_A     17   43  102      3    3    5   17   20   30   36   38   39   43   48   56   60   63   68   73   74   76   79   81 
LCS_GDT     G    25_A     G    25_A     19   47  102      3   17   28   35   36   41   50   60   62   65   71   72   77   79   83   92   96   99  105  107 
LCS_GDT     Y    26_A     Y    26_A     19   50  102     12   29   33   42   54   60   64   70   74   79   86   91   94   99  101  103  104  105  106  107 
LCS_GDT     K    27_A     K    27_A     19   54  102     12   29   33   44   54   60   66   70   74   79   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    28_A     C    28_A     21   55  102     12   29   33   47   54   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     N    29_A     N    29_A     21   55  102     12   29   34   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    30_A     C    30_A     21   55  102     12   29   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     L    31_A     L    31_A     21   55  102     12   29   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     L    32_A     L    32_A     21   55  102     12   29   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     P    33_A     P    33_A     21   55  102     12   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     Y    34_A     Y    34_A     21   55  102     12   29   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     T    35_A     T    35_A     21   55  102     12   29   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     G    36_A     G    36_A     21   55  102     12   29   33   47   54   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     A    37_A     A    37_A     21   55  102     12   29   33   47   54   61   66   70   75   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     T    38_A     T    38_A     21   55  102     12   29   35   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    39_A     C    39_A     34   55  102     12   29   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     E    40_A     E    40_A     34   55  102     10   29   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     V    41_A     V    41_A     36   55  102     12   29   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     V    42_A     V    42_A     39   55  102     12   29   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     L    43_A     L    43_A     39   55  102      6   29   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     A    44_A     A    44_A     39   55  102     11   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     P    45_A     P    45_A     39   55  102      6   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    46_A     C    46_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     A    47_A     A    47_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     P    48_A     P    48_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     S    49_A     S    49_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     P    50_A     P    50_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    51_A     C    51_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     R    52_A     R    52_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     N    53_A     N    53_A     39   55  102     21   30   37   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     G    54_A     G    54_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     G    55_A     G    55_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     E    56_A     E    56_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    57_A     C    57_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     R    58_A     R    58_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     Q    59_A     Q    59_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     S    60_A     S    60_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     E    61_A     E    61_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     D    62_A     D    62_A     39   55  102     20   30   37   46   55   60   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     Y    63_A     Y    63_A     39   55  102      4   30   37   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     E    64_A     E    64_A     39   55  102     14   30   37   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     S    65_A     S    65_A     39   55  102     18   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     F    66_A     F    66_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     S    67_A     S    67_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    68_A     C    68_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     V    69_A     V    69_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    70_A     C    70_A     39   55  102     21   30   38   47   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     P    71_A     P    71_A     39   55  102     18   30   37   46   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     T    72_A     T    72_A     39   55  102     12   30   37   45   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     G    73_A     G    73_A     39   55  102     12   28   37   44   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     W    74_A     W    74_A     39   55  102     12   28   37   44   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     Q    75_A     Q    75_A     39   55  102     12   26   37   44   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     G    76_A     G    76_A     39   55  102     12   28   37   44   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     Q    77_A     Q    77_A     39   55  102     12   28   36   44   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     T    78_A     T    78_A     39   55  102     12   24   36   44   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    79_A     C    79_A     39   55  102     12   29   37   45   55   61   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     E    80_A     E    80_A     39   55  102      7   22   34   42   52   60   66   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     V    81_A     V    81_A     38   55  102     10   21   32   42   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     D    82_A     D    82_A     38   55  102     10   21   34   42   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     I    83_A     I    83_A     27   55  102      3   21   31   41   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     N    84_A     N    84_A     27   51  102      3   21   32   41   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     E    85_A     E    85_A     27   51  102      3   21   32   42   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    86_A     C    86_A     27   51  102      8   21   32   41   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     V    87_A     V    87_A     27   51  102      8   21   31   41   49   60   65   70   75   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     L    88_A     L    88_A     27   51  102      6   21   32   42   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     S    89_A     S    89_A     27   51  102      6   11   29   40   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     P    90_A     P    90_A     27   51  102      7   19   32   42   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    91_A     C    91_A     27   51  102      8   21   32   41   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     R    92_A     R    92_A     27   51  102      8   21   31   41   49   60   65   70   75   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     H    93_A     H    93_A     27   49  102      8   21   29   39   49   57   65   70   74   78   85   91   95   98  101  103  104  105  106  107 
LCS_GDT     G    94_A     G    94_A     27   44  102      8   20   29   39   49   57   65   70   74   77   82   88   95   96  101  103  104  105  106  107 
LCS_GDT     A    95_A     A    95_A     27   44  102      8   21   30   41   49   57   65   70   74   80   86   91   95   99  101  103  104  105  106  107 
LCS_GDT     S    96_A     S    96_A     27   44  102      8   21   30   40   49   57   65   70   74   80   86   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    97_A     C    97_A     27   44  102      8   20   31   41   49   60   65   70   75   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     Q    98_A     Q    98_A     27   44  102      8   20   31   41   50   60   65   70   75   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     N    99_A     N    99_A     27   44  102      8   21   31   41   50   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     T   100_A     T   100_A     27   44  102      8   21   32   41   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     H   101_A     H   101_A     27   44  102      7   21   32   41   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     G   102_A     G   102_A     27   44  102      7   21   34   42   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     G   103_A     G   103_A     27   44  102      3   16   34   42   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     Y   104_A     Y   104_A     27   44  102      8   21   32   42   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     R   105_A     R   105_A     27   44  102      8   21   32   41   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C   106_A     C   106_A     27   44  102      8   19   31   41   50   60   65   70   75   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     H   107_A     H   107_A     27   44  102      8   21   31   41   49   57   65   70   74   80   86   91   95   99  101  103  104  105  106  107 
LCS_GDT     C   108_A     C   108_A     27   44  102      6   21   29   39   49   55   65   70   74   77   82   87   92   95   98  103  104  105  106  107 
LCS_GDT     Q   109_A     Q   109_A     25   44   95      6   14   26   33   38   44   52   56   61   67   73   74   78   79   82   86   91   96   98  101 
LCS_GDT     A   110_A     A   110_A     16   43   95      6   14   26   33   38   41   47   52   58   61   63   68   72   76   78   80   82   85   88   93 
LCS_GDT     G   111_A     G   111_A     16   43   95      3   14   26   33   38   41   47   53   58   61   63   68   72   76   78   80   82   85   88   93 
LCS_GDT     Y   112_A     Y   112_A     16   42   95      6   19   28   33   42   50   54   59   64   71   73   77   78   82   85   91   95  100  104  107 
LCS_GDT     S   113_A     S   113_A     16   42   95      6   19   28   35   45   53   60   66   71   73   77   81   88   93   96   99  104  105  106  107 
LCS_GDT     G   114_A     G   114_A     16   42   95      6   19   27   33   43   53   61   70   74   77   86   91   95   99  101  103  104  105  106  107 
LCS_GDT     R   115_A     R   115_A     16   42   95      6   18   26   33   49   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     N   116_A     N   116_A     16   42   95      6   14   32   41   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C   117_A     C   117_A     16   42   95      6   20   30   41   49   58   65   70   74   80   86   91   95   99  101  103  104  105  106  107 
LCS_GDT     E   118_A     E   118_A     16   42   95      6   19   28   35   45   53   61   70   74   77   85   91   95   99  101  103  104  105  106  107 
LCS_GDT     T   119_A     T   119_A     16   42   95      5   18   27   33   38   45   52   57   62   69   73   77   79   83   89   96  100  105  106  107 
LCS_AVERAGE  LCS_A:  52.91  (  24.92   44.16   89.66 )

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     21     30     38     47     55     61     66     70     76     82     88     91     95     99    101    103    104    105    106    107 
GDT PERCENT_AT  18.58  26.55  33.63  41.59  48.67  53.98  58.41  61.95  67.26  72.57  77.88  80.53  84.07  87.61  89.38  91.15  92.04  92.92  93.81  94.69
GDT RMS_LOCAL    0.33   0.57   1.05   1.34   1.65   1.90   2.09   2.28   2.98   3.25   3.59   3.76   4.05   4.29   4.42   4.55   4.62   4.69   4.77   4.86
GDT RMS_ALL_AT   7.99   7.85   9.13  10.00   8.29   8.72   8.91   9.18   6.40   6.24   6.09   6.22   5.92   5.84   5.79   5.75   5.74   5.73   5.71   5.71

# Checking swapping
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  D    62_A      D    62_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  E   118_A      E   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     4.117     0    0.063   0.899     8.835   43.571   28.942
LGA    C     8_A      C     8_A     2.963     0    0.025   0.092     3.309   57.262   54.841
LGA    A     9_A      A     9_A     3.041     0    0.041   0.054     3.106   53.571   52.857
LGA    S    10_A      S    10_A     2.353     0    0.026   0.190     2.634   64.881   64.841
LGA    N    11_A      N    11_A     1.632     0    0.044   1.103     4.519   77.381   64.286
LGA    P    12_A      P    12_A     1.281     0    0.094   0.093     2.039   81.429   76.599
LGA    C    13_A      C    13_A     0.922     0    0.041   0.048     1.454   90.595   87.540
LGA    L    14_A      L    14_A     0.461     0    0.015   0.067     0.977   92.857   92.857
LGA    N    15_A      N    15_A     1.350     0    0.042   0.220     1.973   81.548   77.202
LGA    Q    16_A      Q    16_A     1.456     0    0.042   0.915     4.843   79.286   60.423
LGA    G    17_A      G    17_A     0.785     0    0.123   0.123     0.785   92.857   92.857
LGA    T    18_A      T    18_A     0.518     0    0.044   0.285     1.202   90.595   90.544
LGA    C    19_A      C    19_A     1.716     0    0.018   0.164     2.189   70.952   71.587
LGA    I    20_A      I    20_A     3.029     0    0.052   0.534     3.677   50.119   51.012
LGA    D    21_A      D    21_A     4.206     0    0.099   0.671     4.638   37.262   37.202
LGA    D    22_A      D    22_A     6.067     0    0.025   0.889     7.242   16.667   15.536
LGA    V    23_A      V    23_A     8.452     0    0.572   0.520    10.037    5.476    3.741
LGA    A    24_A      A    24_A    11.315     0    0.552   0.534    13.202    2.143    1.714
LGA    G    25_A      G    25_A     6.937     0    0.085   0.085     8.921    8.571    8.571
LGA    Y    26_A      Y    26_A     4.215     0    0.040   0.079     4.711   35.714   43.016
LGA    K    27_A      K    27_A     3.552     0    0.101   0.931     5.046   50.238   43.862
LGA    C    28_A      C    28_A     2.184     0    0.069   0.089     2.838   60.952   64.921
LGA    N    29_A      N    29_A     1.503     0    0.144   1.097     3.056   77.143   73.274
LGA    C    30_A      C    30_A     1.222     0    0.091   0.161     1.731   79.286   77.143
LGA    L    31_A      L    31_A     1.752     0    0.045   0.422     2.522   72.976   69.940
LGA    L    32_A      L    32_A     2.335     0    0.020   0.135     3.330   62.857   59.107
LGA    P    33_A      P    33_A     2.536     0    0.020   0.039     2.765   60.952   59.320
LGA    Y    34_A      Y    34_A     1.851     0    0.048   0.155     2.259   70.833   71.587
LGA    T    35_A      T    35_A     1.993     0    0.076   1.125     3.470   72.857   68.435
LGA    G    36_A      G    36_A     2.230     0    0.053   0.053     2.421   64.762   64.762
LGA    A    37_A      A    37_A     2.383     0    0.063   0.063     2.589   64.762   63.238
LGA    T    38_A      T    38_A     1.514     0    0.014   0.142     1.909   79.405   77.823
LGA    C    39_A      C    39_A     1.437     0    0.039   0.103     1.494   81.429   81.429
LGA    E    40_A      E    40_A     1.633     0    0.040   0.196     2.647   72.857   68.413
LGA    V    41_A      V    41_A     1.997     0    0.139   0.159     2.618   66.905   65.986
LGA    V    42_A      V    42_A     2.184     0    0.051   0.213     2.322   64.762   64.762
LGA    L    43_A      L    43_A     2.089     0    0.067   0.656     3.165   64.762   60.060
LGA    A    44_A      A    44_A     1.917     0    0.061   0.062     1.917   72.857   72.857
LGA    P    45_A      P    45_A     1.897     0    0.033   0.060     2.370   72.857   69.388
LGA    C    46_A      C    46_A     1.696     0    0.050   0.123     1.823   72.857   72.857
LGA    A    47_A      A    47_A     1.745     0    0.035   0.040     1.886   72.857   72.857
LGA    P    48_A      P    48_A     1.671     0    0.053   0.328     2.181   72.857   71.701
LGA    S    49_A      S    49_A     1.471     0    0.070   0.072     1.647   79.286   80.000
LGA    P    50_A      P    50_A     1.662     0    0.021   0.056     1.888   75.000   74.082
LGA    C    51_A      C    51_A     1.038     0    0.074   0.094     1.226   85.952   87.460
LGA    R    52_A      R    52_A     1.119     0    0.038   1.139     7.031   81.429   59.870
LGA    N    53_A      N    53_A     1.474     0    0.062   0.284     2.201   79.286   76.131
LGA    G    54_A      G    54_A     0.962     0    0.065   0.065     1.057   88.214   88.214
LGA    G    55_A      G    55_A     0.459     0    0.052   0.052     0.656   97.619   97.619
LGA    E    56_A      E    56_A     0.434     0    0.059   1.064     4.927   95.238   70.370
LGA    C    57_A      C    57_A     0.940     0    0.125   0.155     1.691   83.810   83.016
LGA    R    58_A      R    58_A     1.350     0    0.020   1.070     3.496   77.143   76.364
LGA    Q    59_A      Q    59_A     2.007     0    0.037   0.519     2.739   66.786   65.714
LGA    S    60_A      S    60_A     2.175     0    0.054   0.084     2.722   62.857   62.222
LGA    E    61_A      E    61_A     2.166     0    0.053   0.842     4.089   60.952   56.772
LGA    D    62_A      D    62_A     3.031     0    0.039   0.889     4.216   53.571   50.179
LGA    Y    63_A      Y    63_A     2.482     0    0.122   0.315     2.637   64.762   62.857
LGA    E    64_A      E    64_A     2.546     0    0.037   0.886     5.673   60.952   50.423
LGA    S    65_A      S    65_A     1.965     0    0.074   0.128     2.122   70.833   71.508
LGA    F    66_A      F    66_A     1.706     0    0.056   0.059     1.859   72.857   72.857
LGA    S    67_A      S    67_A     1.256     0    0.060   0.074     1.485   81.429   81.429
LGA    C    68_A      C    68_A     0.956     0    0.057   0.061     1.137   88.214   85.952
LGA    V    69_A      V    69_A     0.413     0    0.059   0.086     0.657   97.619   97.279
LGA    C    70_A      C    70_A     1.113     0    0.050   0.048     1.500   83.690   82.937
LGA    P    71_A      P    71_A     1.837     0    0.051   0.058     2.494   70.952   72.993
LGA    T    72_A      T    72_A     3.035     0    0.021   0.914     5.212   46.905   44.830
LGA    G    73_A      G    73_A     4.328     0    0.080   0.080     4.490   38.690   38.690
LGA    W    74_A      W    74_A     3.553     0    0.058   0.163     4.365   46.667   44.864
LGA    Q    75_A      Q    75_A     3.716     0    0.091   0.189     5.351   41.786   34.921
LGA    G    76_A      G    76_A     3.835     0    0.027   0.027     3.835   46.667   46.667
LGA    Q    77_A      Q    77_A     3.392     0    0.068   0.689     7.091   51.905   35.661
LGA    T    78_A      T    78_A     2.946     0    0.016   0.267     3.312   55.357   53.061
LGA    C    79_A      C    79_A     2.579     0    0.163   0.160     3.023   55.357   62.619
LGA    E    80_A      E    80_A     4.211     0    0.036   0.779     6.508   34.286   28.519
LGA    V    81_A      V    81_A     5.667     0    0.070   0.076     6.601   23.810   20.408
LGA    D    82_A      D    82_A     6.168     0    0.043   0.208     7.560   15.238   13.988
LGA    I    83_A      I    83_A     6.932     0    0.133   0.266     7.536   10.952   16.369
LGA    N    84_A      N    84_A     9.055     0    0.025   0.229    10.945    2.976    1.548
LGA    E    85_A      E    85_A     8.567     0    0.021   0.160     9.751    1.667    7.937
LGA    C    86_A      C    86_A    11.854     0    0.093   0.140    13.527    0.000    0.000
LGA    V    87_A      V    87_A    12.601     0    0.092   0.198    12.958    0.000    0.000
LGA    L    88_A      L    88_A    11.614     0    0.458   0.373    11.826    0.000    0.000
LGA    S    89_A      S    89_A    12.630     0    0.377   0.744    13.409    0.000    0.000
LGA    P    90_A      P    90_A    10.761     0    0.108   0.205    11.740    0.000    0.408
LGA    C    91_A      C    91_A    13.822     0    0.033   0.122    15.139    0.000    0.000
LGA    R    92_A      R    92_A    15.756     0    0.066   1.333    17.078    0.000    0.000
LGA    H    93_A      H    93_A    19.269     0    0.088   0.227    20.610    0.000    0.000
LGA    G    94_A      G    94_A    20.383     0    0.052   0.052    20.852    0.000    0.000
LGA    A    95_A      A    95_A    18.534     0    0.056   0.085    18.976    0.000    0.000
LGA    S    96_A      S    96_A    18.004     0    0.071   0.607    18.961    0.000    0.000
LGA    C    97_A      C    97_A    15.126     0    0.071   0.167    16.288    0.000    0.000
LGA    Q    98_A      Q    98_A    13.817     0    0.037   0.087    14.270    0.000    0.000
LGA    N    99_A      N    99_A    11.989     0    0.074   0.728    12.761    0.000    0.000
LGA    T   100_A      T   100_A    10.069     0    0.120   0.342    10.586    1.071    0.884
LGA    H   101_A      H   101_A     8.138     0    0.119   0.997     8.926    6.905    6.810
LGA    G   102_A      G   102_A     6.348     0    0.226   0.226     6.831   15.238   15.238
LGA    G   103_A      G   103_A     6.801     0    0.042   0.042     8.843    8.571    8.571
LGA    Y   104_A      Y   104_A     9.618     0    0.130   0.280    10.191    1.429    3.214
LGA    R   105_A      R   105_A    12.079     0    0.022   1.344    17.196    0.000    0.000
LGA    C   106_A      C   106_A    14.132     0    0.188   0.313    15.159    0.000    0.000
LGA    H   107_A      H   107_A    17.758     0    0.035   1.152    19.942    0.000    0.000
LGA    C   108_A      C   108_A    19.647     0    0.109   0.177    21.475    0.000    0.000
LGA    Q   109_A      Q   109_A    24.310     0    0.012   0.134    27.164    0.000    0.000
LGA    A   110_A      A   110_A    26.844     0    0.044   0.063    28.465    0.000    0.000
LGA    G   111_A      G   111_A    25.968     0    0.235   0.235    26.332    0.000    0.000
LGA    Y   112_A      Y   112_A    21.599     0    0.092   0.178    25.192    0.000    0.000
LGA    S   113_A      S   113_A    18.417     0    0.110   0.183    19.515    0.000    0.000
LGA    G   114_A      G   114_A    14.442     0    0.045   0.045    15.958    0.000    0.000
LGA    R   115_A      R   115_A    10.927     0    0.016   0.737    11.956    0.000    6.926
LGA    N   116_A      N   116_A    11.741     0    0.035   0.390    13.477    0.000    0.179
LGA    C   117_A      C   117_A    15.441     0    0.027   0.071    16.614    0.000    0.000
LGA    E   118_A      E   118_A    15.450     0    0.035   0.775    17.385    0.000    0.000
LGA    T   119_A      T   119_A    17.453     0    0.113   1.022    18.872    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      113     452    452  100.00     828    828  100.00               113
SUMMARY(RMSD_GDC):     5.653          5.612                  5.724           43.794   42.199

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  113    4.0     70    2.28    55.310    54.881     2.937

LGA_LOCAL      RMSD:   2.283  Number of atoms:   70  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.180  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   5.653  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.390802 * X  +  -0.889762 * Y  +   0.235792 * Z  + -48.777401
  Y_new =   0.442014 * X  +   0.406098 * Y  +   0.799818 * Z  +   7.248496
  Z_new =  -0.807402 * X  +  -0.208347 * Y  +   0.551991 * Z  +  52.567802 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.846813  0.939735 -0.360914   [DEG:   48.5188   53.8429  -20.6789 ]
ZXZ:  2.854907  0.986047 -1.823334   [DEG:  163.5741   56.4963 -104.4693 ]
 
# END of job
