
#######################################################
#                                                     #
#                        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     5.84
  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     7.91
  LONGEST_CONTINUOUS_SEGMENT:    55      29_A - 83_A        1.96     7.72
  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     7.67
  LCS_AVERAGE:     24.94

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      5   24   34   43   54   60   64   70   74   77   81   87   92   95  100  103  104  105  106  107 
LCS_GDT     C     8_A     C     8_A     17   43  102     10   29   34   45   54   60   65   70   74   80   87   91   95   99  101  103  104  105  106  107 
LCS_GDT     A     9_A     A     9_A     17   43  102     10   28   34   45   54   60   65   70   74   79   86   91   94   99  101  103  104  105  106  107 
LCS_GDT     S    10_A     S    10_A     17   43  102     12   29   34   46   54   60   65   70   74   80   87   91   94   99  101  103  104  105  106  107 
LCS_GDT     N    11_A     N    11_A     17   43  102     12   29   34   47   54   60   65   70   74   80   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     P    12_A     P    12_A     17   43  102     12   29   34   47   54   60   65   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   54   60   65   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   54   60   65   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   54   60   65   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   27   36   47   54   60   65   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   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     T    18_A     T    18_A     17   43  102     14   29   35   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    19_A     C    19_A     17   43  102     14   29   34   47   54   60   65   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   34   45   54   60   65   70   74   80   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     D    21_A     D    21_A     17   43  102     12   29   34   43   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      7   20   33   35   40   50   59   61   65   71   72   77   85   91   95   98  103  105  106  107 
LCS_GDT     V    23_A     V    23_A     17   43  102      3   17   26   35   36   39   44   50   56   61   66   68   73   74   78   80   84   93   97  100 
LCS_GDT     A    24_A     A    24_A     17   43  102      3    3    5   17   23   30   36   38   40   43   48   56   61   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   84   92   96   99  105  107 
LCS_GDT     Y    26_A     Y    26_A     19   50  102     12   29   34   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   34   43   54   60   65   70   74   80   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    28_A     C    28_A     21   55  102     12   29   34   47   54   60   65   70   75   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     N    29_A     N    29_A     21   55  102     11   29   34   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    30_A     C    30_A     21   55  102     14   29   38   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     L    31_A     L    31_A     21   55  102     14   29   38   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     L    32_A     L    32_A     21   55  102     14   29   38   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     P    33_A     P    33_A     21   55  102     14   30   38   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     Y    34_A     Y    34_A     21   55  102     14   29   38   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     T    35_A     T    35_A     21   55  102     14   29   38   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     G    36_A     G    36_A     21   55  102     14   29   34   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     A    37_A     A    37_A     21   55  102     14   29   34   47   54   60   65   70   75   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     T    38_A     T    38_A     21   55  102     14   29   35   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     C    39_A     C    39_A     34   55  102     14   29   38   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     E    40_A     E    40_A     35   55  102      9   29   38   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     V    41_A     V    41_A     36   55  102     14   29   38   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     V    42_A     V    42_A     39   55  102     14   29   38   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     L    43_A     L    43_A     39   55  102      7   29   38   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     A    44_A     A    44_A     39   55  102     13   30   38   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     P    45_A     P    45_A     39   55  102      7   30   38   47   54   60   65   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   54   60   65   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   54   60   65   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   54   60   65   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   54   60   65   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   54   60   65   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   54   60   65   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   54   60   65   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   38   47   54   60   65   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   54   60   65   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   54   60   65   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   54   60   65   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   54   60   65   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   54   60   65   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   54   60   65   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   54   60   65   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   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     D    62_A     D    62_A     39   55  102     19   30   37   46   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     Y    63_A     Y    63_A     39   55  102      5   30   38   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     E    64_A     E    64_A     39   55  102     20   30   38   47   54   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     S    65_A     S    65_A     39   55  102     20   30   38   47   54   60   65   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   54   60   65   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   54   60   65   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   54   60   65   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   54   60   65   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   54   60   65   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   53   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     T    72_A     T    72_A     39   55  102     14   30   37   44   52   60   65   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   52   60   65   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   52   60   65   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   25   37   44   52   60   65   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   36   44   52   60   65   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   52   60   65   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   25   36   44   52   60   65   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   44   53   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     E    80_A     E    80_A     39   55  102     11   23   33   42   52   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     V    81_A     V    81_A     38   55  102     11   20   32   42   52   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     11   21   33   42   52   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   20   30   41   52   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   20   32   41   52   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   20   32   42   52   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   20   32   41   52   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   20   30   41   49   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     L    88_A     L    88_A     27   51  102      6   20   32   41   52   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      4   14   29   41   52   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     10   19   32   42   52   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     10   20   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     10   20   30   41   49   60   65   70   74   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     H    93_A     H    93_A     27   49  102     10   20   29   40   49   56   65   70   74   78   85   91   95   99  101  103  104  105  106  107 
LCS_GDT     G    94_A     G    94_A     27   44  102     10   20   29   40   49   56   65   70   74   78   82   88   95   96  101  103  104  105  106  107 
LCS_GDT     A    95_A     A    95_A     27   44  102     10   20   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     10   20   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      9   19   29   41   49   60   65   70   74   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     Q    98_A     Q    98_A     27   44  102      8   20   30   41   50   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     N    99_A     N    99_A     27   44  102      8   20   30   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   20   32   41   52   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   20   32   41   52   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   20   32   42   52   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   29   42   52   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   20   32   41   52   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   20   32   41   52   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     10   19   30   41   51   60   65   70   76   82   88   91   95   99  101  103  104  105  106  107 
LCS_GDT     H   107_A     H   107_A     27   44  102     10   20   30   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   20   29   40   49   55   65   70   74   78   82   87   92   95   99  103  104  105  106  107 
LCS_GDT     Q   109_A     Q   109_A     26   44   95      7   17   26   33   39   45   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   17   26   33   39   41   47   52   58   61   63   68   72   76   78   80   83   85   88   93 
LCS_GDT     G   111_A     G   111_A     16   43   95      7   17   26   33   39   41   47   53   58   61   63   68   72   76   78   80   83   85   88   93 
LCS_GDT     Y   112_A     Y   112_A     16   42   95      7   19   28   33   42   50   54   59   64   70   73   77   78   82   85   91   95  100  103  106 
LCS_GDT     S   113_A     S   113_A     16   42   95      7   19   28   35   45   53   59   66   71   73   77   81   86   92   96   99  104  105  106  107 
LCS_GDT     G   114_A     G   114_A     16   42   95      7   19   27   33   42   54   62   70   74   78   86   91   95   99  101  103  104  105  106  107 
LCS_GDT     R   115_A     R   115_A     16   42   95      7   19   26   34   48   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      7   19   32   41   52   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     10   19   30   41   49   57   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   54   62   70   74   78   85   91   95   99  101  103  104  105  106  107 
LCS_GDT     T   119_A     T   119_A     16   42   95      6   19   27   33   39   45   52   57   62   68   73   77   79   83   89   96  101  105  106  107 
LCS_AVERAGE  LCS_A:  52.92  (  24.94   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     54     60     65     70     76     82     88     91     95     99    101    103    104    105    106    107 
GDT PERCENT_AT  18.58  26.55  33.63  41.59  47.79  53.10  57.52  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    0.32   0.56   1.02   1.33   1.59   1.81   2.05   2.29   2.97   3.25   3.59   3.76   4.04   4.28   4.42   4.54   4.62   4.69   4.77   4.85
GDT RMS_ALL_AT   7.98   7.84   9.19   9.98  10.22  10.63   8.97   9.16   6.39   6.23   6.08   6.21   5.91   5.84   5.78   5.75   5.73   5.72   5.71   5.70

# 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     4.145     0    0.094   0.915     8.857   43.571   28.942
LGA    C     8_A      C     8_A     2.981     0    0.018   0.036     3.414   57.262   54.841
LGA    A     9_A      A     9_A     3.037     0    0.060   0.070     3.123   53.571   52.857
LGA    S    10_A      S    10_A     2.418     0    0.014   0.143     2.645   64.881   64.841
LGA    N    11_A      N    11_A     1.632     0    0.040   1.112     4.480   77.381   65.000
LGA    P    12_A      P    12_A     1.319     0    0.116   0.114     2.005   81.429   76.599
LGA    C    13_A      C    13_A     0.925     0    0.015   0.044     1.400   90.595   89.048
LGA    L    14_A      L    14_A     0.462     0    0.011   0.062     0.945   92.857   92.857
LGA    N    15_A      N    15_A     1.353     0    0.043   0.250     1.893   81.548   77.202
LGA    Q    16_A      Q    16_A     1.485     0    0.021   0.909     4.841   79.286   60.423
LGA    G    17_A      G    17_A     0.736     0    0.093   0.093     0.736   95.238   95.238
LGA    T    18_A      T    18_A     0.520     0    0.024   0.265     1.202   90.595   90.544
LGA    C    19_A      C    19_A     1.666     0    0.015   0.172     2.221   70.952   71.587
LGA    I    20_A      I    20_A     3.005     0    0.063   0.524     3.685   50.119   51.012
LGA    D    21_A      D    21_A     4.184     0    0.103   0.679     4.635   37.262   37.202
LGA    D    22_A      D    22_A     6.056     0    0.068   0.880     7.422   15.833   14.643
LGA    V    23_A      V    23_A     8.445     0    0.574   0.525    10.016    5.476    3.741
LGA    A    24_A      A    24_A    11.290     0    0.537   0.525    13.137    2.143    1.714
LGA    G    25_A      G    25_A     6.924     0    0.070   0.070     8.922    8.571    8.571
LGA    Y    26_A      Y    26_A     4.212     0    0.013   0.085     4.637   35.714   43.016
LGA    K    27_A      K    27_A     3.597     0    0.049   0.882     5.011   50.238   43.862
LGA    C    28_A      C    28_A     2.226     0    0.075   0.088     2.894   60.952   64.921
LGA    N    29_A      N    29_A     1.560     0    0.166   1.113     3.111   75.000   72.202
LGA    C    30_A      C    30_A     1.291     0    0.073   0.137     1.725   79.286   77.143
LGA    L    31_A      L    31_A     1.796     0    0.044   0.422     2.541   72.976   69.940
LGA    L    32_A      L    32_A     2.324     0    0.034   0.138     3.305   62.857   59.107
LGA    P    33_A      P    33_A     2.579     0    0.040   0.039     2.753   60.952   59.320
LGA    Y    34_A      Y    34_A     1.814     0    0.060   0.159     2.248   70.833   72.262
LGA    T    35_A      T    35_A     1.956     0    0.026   1.127     3.479   72.857   67.347
LGA    G    36_A      G    36_A     2.162     0    0.047   0.047     2.265   64.762   64.762
LGA    A    37_A      A    37_A     2.278     0    0.065   0.071     2.524   64.762   63.238
LGA    T    38_A      T    38_A     1.503     0    0.052   0.102     1.795   77.143   78.980
LGA    C    39_A      C    39_A     1.509     0    0.038   0.061     1.509   79.286   80.000
LGA    E    40_A      E    40_A     1.639     0    0.036   0.186     2.714   72.857   68.413
LGA    V    41_A      V    41_A     1.984     0    0.051   0.081     2.416   68.810   67.075
LGA    V    42_A      V    42_A     2.180     0    0.047   0.192     2.282   64.762   64.762
LGA    L    43_A      L    43_A     2.085     0    0.037   0.659     3.136   64.762   60.060
LGA    A    44_A      A    44_A     1.951     0    0.068   0.063     1.951   72.857   72.857
LGA    P    45_A      P    45_A     1.878     0    0.028   0.068     2.384   72.857   69.388
LGA    C    46_A      C    46_A     1.704     0    0.007   0.119     1.779   72.857   72.857
LGA    A    47_A      A    47_A     1.789     0    0.046   0.050     1.898   72.857   72.857
LGA    P    48_A      P    48_A     1.651     0    0.066   0.324     2.215   72.857   71.701
LGA    S    49_A      S    49_A     1.497     0    0.088   0.079     1.671   79.286   80.000
LGA    P    50_A      P    50_A     1.670     0    0.013   0.054     1.903   75.000   74.082
LGA    C    51_A      C    51_A     1.022     0    0.070   0.115     1.220   85.952   87.460
LGA    R    52_A      R    52_A     1.060     0    0.028   1.144     7.030   81.429   60.649
LGA    N    53_A      N    53_A     1.435     0    0.043   0.323     2.214   79.286   76.131
LGA    G    54_A      G    54_A     0.952     0    0.022   0.022     1.067   88.214   88.214
LGA    G    55_A      G    55_A     0.462     0    0.061   0.061     0.661   97.619   97.619
LGA    E    56_A      E    56_A     0.425     0    0.059   1.089     5.208   95.238   68.466
LGA    C    57_A      C    57_A     0.920     0    0.119   0.162     1.716   83.810   83.016
LGA    R    58_A      R    58_A     1.333     0    0.029   1.084     3.631   77.143   75.758
LGA    Q    59_A      Q    59_A     1.973     0    0.020   0.487     2.657   68.810   67.513
LGA    S    60_A      S    60_A     2.126     0    0.024   0.063     2.677   64.762   63.492
LGA    E    61_A      E    61_A     2.201     0    0.041   0.816     3.985   60.952   57.460
LGA    D    62_A      D    62_A     3.010     0    0.023   0.912     4.019   53.571   50.179
LGA    Y    63_A      Y    63_A     2.493     0    0.086   0.295     2.667   62.857   61.587
LGA    E    64_A      E    64_A     2.494     0    0.038   0.889     5.636   62.857   51.270
LGA    S    65_A      S    65_A     1.965     0    0.046   0.088     2.071   70.833   70.159
LGA    F    66_A      F    66_A     1.685     0    0.019   0.078     1.846   72.857   72.857
LGA    S    67_A      S    67_A     1.246     0    0.032   0.038     1.436   81.429   81.429
LGA    C    68_A      C    68_A     0.936     0    0.027   0.048     1.150   88.214   85.952
LGA    V    69_A      V    69_A     0.417     0    0.067   0.078     0.709   97.619   97.279
LGA    C    70_A      C    70_A     1.094     0    0.022   0.027     1.551   83.690   81.508
LGA    P    71_A      P    71_A     1.820     0    0.029   0.038     2.432   70.952   72.993
LGA    T    72_A      T    72_A     3.033     0    0.027   0.911     5.137   48.452   45.714
LGA    G    73_A      G    73_A     4.308     0    0.076   0.076     4.458   38.690   38.690
LGA    W    74_A      W    74_A     3.585     0    0.049   0.144     4.332   46.667   44.388
LGA    Q    75_A      Q    75_A     3.745     0    0.059   0.179     5.350   43.333   35.608
LGA    G    76_A      G    76_A     3.887     0    0.031   0.031     3.887   45.000   45.000
LGA    Q    77_A      Q    77_A     3.476     0    0.046   0.684     7.071   50.119   34.868
LGA    T    78_A      T    78_A     2.913     0    0.028   0.330     3.314   57.262   54.150
LGA    C    79_A      C    79_A     2.519     0    0.151   0.140     3.009   55.357   62.619
LGA    E    80_A      E    80_A     4.259     0    0.033   0.821     6.527   34.286   28.519
LGA    V    81_A      V    81_A     5.645     0    0.046   0.061     6.651   23.810   20.408
LGA    D    82_A      D    82_A     6.138     0    0.064   0.162     7.573   15.238   13.988
LGA    I    83_A      I    83_A     6.900     0    0.106   0.198     7.516   10.952   16.369
LGA    N    84_A      N    84_A     9.040     0    0.083   0.279    10.949    2.976    1.548
LGA    E    85_A      E    85_A     8.518     0    0.030   0.118     9.798    1.667    7.407
LGA    C    86_A      C    86_A    11.809     0    0.091   0.144    13.526    0.000    0.000
LGA    V    87_A      V    87_A    12.585     0    0.089   0.200    12.950    0.000    0.000
LGA    L    88_A      L    88_A    11.545     0    0.415   0.341    11.815    0.000    0.000
LGA    S    89_A      S    89_A    12.550     0    0.378   0.701    13.414    0.000    0.000
LGA    P    90_A      P    90_A    10.732     0    0.087   0.206    11.694    0.000    0.408
LGA    C    91_A      C    91_A    13.777     0    0.046   0.116    15.149    0.000    0.000
LGA    R    92_A      R    92_A    15.724     0    0.029   1.352    17.302    0.000    0.000
LGA    H    93_A      H    93_A    19.177     0    0.073   0.194    20.624    0.000    0.000
LGA    G    94_A      G    94_A    20.408     0    0.055   0.055    20.885    0.000    0.000
LGA    A    95_A      A    95_A    18.497     0    0.059   0.083    18.940    0.000    0.000
LGA    S    96_A      S    96_A    17.991     0    0.038   0.613    18.910    0.000    0.000
LGA    C    97_A      C    97_A    15.134     0    0.077   0.194    16.256    0.000    0.000
LGA    Q    98_A      Q    98_A    13.825     0    0.051   0.114    14.264    0.000    0.000
LGA    N    99_A      N    99_A    12.013     0    0.092   0.743    12.759    0.000    0.000
LGA    T   100_A      T   100_A    10.105     0    0.132   0.341    10.568    1.071    0.884
LGA    H   101_A      H   101_A     8.146     0    0.141   1.008     8.956    6.905    6.095
LGA    G   102_A      G   102_A     6.388     0    0.194   0.194     6.853   14.286   14.286
LGA    G   103_A      G   103_A     6.782     0    0.066   0.066     8.669    8.571    8.571
LGA    Y   104_A      Y   104_A     9.628     0    0.117   0.265    10.192    0.952    3.056
LGA    R   105_A      R   105_A    12.050     0    0.046   1.367    17.191    0.000    0.000
LGA    C   106_A      C   106_A    14.053     0    0.178   0.249    15.119    0.000    0.000
LGA    H   107_A      H   107_A    17.694     0    0.052   1.154    19.911    0.000    0.000
LGA    C   108_A      C   108_A    19.563     0    0.098   0.129    21.557    0.000    0.000
LGA    Q   109_A      Q   109_A    24.211     0    0.013   0.125    27.231    0.000    0.000
LGA    A   110_A      A   110_A    26.750     0    0.016   0.044    28.414    0.000    0.000
LGA    G   111_A      G   111_A    25.928     0    0.209   0.209    26.241    0.000    0.000
LGA    Y   112_A      Y   112_A    21.625     0    0.035   0.185    25.025    0.000    0.000
LGA    S   113_A      S   113_A    18.422     0    0.109   0.258    19.565    0.000    0.000
LGA    G   114_A      G   114_A    14.412     0    0.057   0.057    15.961    0.000    0.000
LGA    R   115_A      R   115_A    10.974     0    0.041   0.739    11.986    0.000    6.926
LGA    N   116_A      N   116_A    11.713     0    0.017   0.372    13.411    0.000    0.179
LGA    C   117_A      C   117_A    15.387     0    0.035   0.052    16.490    0.000    0.000
LGA    E   118_A      E   118_A    15.429     0    0.088   0.775    17.411    0.000    0.000
LGA    T   119_A      T   119_A    17.406     0    0.039   0.953    18.906    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):     5.647          5.606                  5.719           43.802   42.192

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  113    4.0     70    2.29    55.310    54.718     2.934

LGA_LOCAL      RMSD:   2.286  Number of atoms:   70  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.163  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   5.647  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.390415 * X  +  -0.889907 * Y  +   0.235883 * Z  + -48.758331
  Y_new =   0.441772 * X  +   0.405880 * Y  +   0.800062 * Z  +   7.247600
  Z_new =  -0.807721 * X  +  -0.208150 * Y  +   0.551598 * Z  +  52.594883 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.847033  0.940276 -0.360837   [DEG:   48.5314   53.8739  -20.6744 ]
ZXZ:  2.854885  0.986518 -1.823009   [DEG:  163.5729   56.5233 -104.4507 ]
 
# END of job
