
#######################################################
#                                                     #
#                        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  119 (  870),  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:   113       7_A - 119_A       3.35     3.35
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92      28_A - 119_A       1.97     4.29
  LCS_AVERAGE:     73.19

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    64      43_A - 106_A       0.99     5.98
  LONGEST_CONTINUOUS_SEGMENT:    64      44_A - 107_A       0.97     5.98
  LCS_AVERAGE:     47.23

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     37   42  113     12   27   35   36   46   56   64   73   86   93  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     37   42  113     16   30   35   36   40   46   64   77   88  101  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     37   42  113     16   30   35   36   40   46   51   59   67   83   96  109  111  112  112  112  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     37   42  113     15   30   35   36   40   46   51   62   77   91  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     37   42  113     15   30   35   36   40   46   52   62   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     37   42  113     16   30   35   36   62   78   86   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     37   42  113     16   30   35   47   68   82   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     37   42  113     16   30   35   36   69   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     37   42  113     16   30   35   36   40   46   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     37   42  113     12   30   35   36   40   46   51   62   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     37   42  113     16   30   35   36   72   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     37   42  113     16   30   35   36   68   82   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     37   42  113     16   30   35   49   62   78   88   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     37   42  113     16   30   35   49   62   73   86   94   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     37   42  113     14   30   40   48   59   67   78   85   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     37   42  113      8   30   40   48   57   67   74   85   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     37   42  113     11   25   35   42   49   56   64   77   88   93  103  109  111  112  112  112  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     37   42  113      4   22   28   36   37   37   40   45   51   72   79   93  100  106  110  112  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     37   42  113     15   27   35   36   46   56   62   73   77   93   99  109  111  112  112  112  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     37   42  113     16   30   40   49   59   70   80   92   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     37   42  113     16   30   35   49   62   78   88   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     37   92  113     16   30   35   49   68   82   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     37   92  113     16   30   39   57   75   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     37   92  113     16   30   45   62   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     37   92  113     16   30   35   69   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     37   92  113      8   39   57   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     37   92  113     15   30   50   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     37   92  113     15   30   47   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     37   92  113      8   30   50   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     37   92  113     15   30   35   65   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     37   92  113     15   30   35   57   75   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     37   92  113     15   30   36   57   75   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     37   92  113     15   30   45   66   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     37   92  113     15   30   45   69   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     49   92  113     15   30   53   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     50   92  113      9   29   37   53   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     64   92  113      7   33   54   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     64   92  113     25   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     64   92  113     25   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     64   92  113     31   46   59   70   78   85   90   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     64   92  113     18   46   59   70   77   84   88   92   97  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     64   92  113     18   46   59   70   77   83   86   92   96  101  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     64   92  113      5   13   42   66   74   80   85   88   93   96  100  105  111  112  112  112  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     64   92  113      5   16   59   70   74   80   86   89   93   99  104  109  111  112  112  112  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     64   92  113      5   29   59   70   76   83   86   92   95  100  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     64   92  113     29   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     64   92  113     19   39   59   70   79   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     64   92  113     12   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     64   92  113     30   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     64   92  113     30   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     64   92  113     30   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     64   92  113     27   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     64   92  113     25   46   58   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     64   92  113     14   33   50   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     64   92  113     25   43   57   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     64   92  113      6   45   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     64   92  113      7   33   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     64   92  113     25   45   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     64   92  113     25   42   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     64   92  113     25   38   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     64   92  113     25   42   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     64   92  113     25   44   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     64   92  113     25   45   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     64   92  113     30   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     64   92  113     25   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     64   92  113     25   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     64   92  113     25   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     64   92  113     31   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     64   92  113     28   46   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     64   92  113     25   45   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     64   92  113     25   42   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     63   92  113     25   37   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     41   92  113     19   33   59   70   80   87   91   95   98  102  104  108  111  112  112  112  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     41   92  113      3   21   43   66   78   87   91   95   98  102  104  108  111  112  112  112  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     41   92  113      6   28   42   61   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     41   92  113     25   33   49   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     41   92  113     25   33   51   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     41   92  113     25   33   49   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     41   92  113     25   33   54   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     41   92  113     25   33   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     41   92  113     25   33   59   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     41   92  113     25   33   48   70   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     41   92  113     14   33   40   57   80   87   91   95   98  102  105  109  111  112  112  112  113  113  113  113 
LCS_AVERAGE  LCS_A:  73.47  (  47.23   73.19  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     31     46     59     70     80     87     91     95     98    102    105    109    111    112    112    112    113    113    113    113 
GDT PERCENT_AT  27.43  40.71  52.21  61.95  70.80  76.99  80.53  84.07  86.73  90.27  92.92  96.46  98.23  99.12  99.12  99.12 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.52   0.84   1.13   1.51   1.76   1.93   2.15   2.33   2.59   2.92   3.18   3.18   3.24   3.24   3.24   3.35   3.35   3.35   3.35
GDT RMS_ALL_AT   6.07   6.02   5.76   5.61   4.38   4.01   3.81   3.64   3.54   3.44   3.38   3.35   3.35   3.35   3.35   3.35   3.35   3.35   3.35   3.35

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    61_A      E    61_A
#   possible swapping detected:  D    62_A      D    62_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    80_A      E    80_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     9.342     0    0.103   0.587    10.523    2.976    1.905
LGA    C     8_A      C     8_A     8.290     0    0.076   0.157     8.843    3.810    4.524
LGA    A     9_A      A     9_A     9.711     0    0.039   0.043    10.409    0.714    0.571
LGA    S    10_A      S    10_A     9.019     0    0.020   0.158     9.260    3.095    3.095
LGA    N    11_A      N    11_A     7.116     0    0.034   1.028     9.152   13.929    9.345
LGA    P    12_A      P    12_A     5.190     0    0.038   0.079     6.400   32.024   27.551
LGA    C    13_A      C    13_A     3.524     0    0.055   0.066     4.241   43.452   44.524
LGA    L    14_A      L    14_A     2.823     0    0.016   0.063     3.104   59.048   59.107
LGA    N    15_A      N    15_A     3.428     0    0.056   1.004     3.931   46.667   48.393
LGA    Q    16_A      Q    16_A     4.546     0    0.032   1.217     7.443   38.810   27.196
LGA    G    17_A      G    17_A     2.523     0    0.059   0.059     3.747   50.119   50.119
LGA    T    18_A      T    18_A     3.548     0    0.066   1.160     5.134   48.452   48.980
LGA    C    19_A      C    19_A     4.990     0    0.039   0.088     6.076   27.619   25.635
LGA    I    20_A      I    20_A     5.824     0    0.052   0.500     6.514   19.524   26.786
LGA    D    21_A      D    21_A     7.430     0    0.004   0.953     7.926   10.833   13.155
LGA    D    22_A      D    22_A     7.786     0    0.059   0.227     9.026    4.643   10.536
LGA    V    23_A      V    23_A     9.574     0    0.049   0.113    11.602    0.833    1.429
LGA    A    24_A      A    24_A    11.991     0    0.438   0.447    12.295    0.000    0.000
LGA    G    25_A      G    25_A     9.423     0    0.149   0.149    10.542    1.071    1.071
LGA    Y    26_A      Y    26_A     6.702     0    0.030   0.097     7.235   14.405   19.325
LGA    K    27_A      K    27_A     4.988     0    0.054   0.787     5.986   30.357   26.984
LGA    C    28_A      C    28_A     3.414     0    0.000   0.024     4.056   50.357   49.127
LGA    N    29_A      N    29_A     2.134     0    0.075   1.240     4.603   66.905   57.143
LGA    C    30_A      C    30_A     1.219     0    0.035   0.056     1.393   81.429   81.429
LGA    L    31_A      L    31_A     2.045     0    0.131   0.192     5.181   61.190   50.952
LGA    L    32_A      L    32_A     3.185     0    0.640   0.553     7.112   39.048   49.286
LGA    P    33_A      P    33_A     2.995     0    0.057   0.080     3.821   55.595   55.374
LGA    Y    34_A      Y    34_A     2.485     0    0.025   0.128     3.753   62.857   56.151
LGA    T    35_A      T    35_A     2.050     0    0.023   1.062     3.159   70.952   64.014
LGA    G    36_A      G    36_A     1.824     0    0.019   0.019     1.824   75.000   75.000
LGA    A    37_A      A    37_A     2.410     0    0.031   0.031     2.828   62.857   61.714
LGA    T    38_A      T    38_A     2.132     0    0.088   0.088     2.846   70.833   68.299
LGA    C    39_A      C    39_A     1.139     0    0.029   0.060     1.840   79.286   77.143
LGA    E    40_A      E    40_A     1.450     0    0.076   0.218     1.859   77.143   83.598
LGA    V    41_A      V    41_A     2.080     0    0.090   0.128     2.641   66.786   67.143
LGA    V    42_A      V    42_A     2.810     0    0.025   0.049     3.632   55.357   52.109
LGA    L    43_A      L    43_A     2.898     0    0.520   1.485     5.275   48.929   47.381
LGA    A    44_A      A    44_A     2.566     0    0.184   0.191     2.682   64.881   63.333
LGA    P    45_A      P    45_A     2.149     0    0.047   0.116     2.799   68.810   63.810
LGA    C    46_A      C    46_A     2.142     0    0.046   0.043     2.805   66.786   63.571
LGA    A    47_A      A    47_A     1.849     0    0.031   0.030     1.871   72.857   72.857
LGA    P    48_A      P    48_A     1.532     0    0.031   0.061     1.607   72.857   74.082
LGA    S    49_A      S    49_A     1.753     0    0.055   0.050     2.138   77.143   74.365
LGA    P    50_A      P    50_A     1.181     0    0.066   0.289     1.923   85.952   81.565
LGA    C    51_A      C    51_A     1.062     0    0.032   0.109     1.541   83.690   81.508
LGA    R    52_A      R    52_A     0.973     0    0.029   0.980     2.984   88.214   82.554
LGA    N    53_A      N    53_A     1.416     0    0.058   0.185     1.556   79.286   79.286
LGA    G    54_A      G    54_A     2.293     0    0.031   0.031     2.527   64.881   64.881
LGA    G    55_A      G    55_A     1.850     0    0.060   0.060     2.063   68.810   68.810
LGA    E    56_A      E    56_A     2.544     0    0.018   0.366     4.187   59.048   52.698
LGA    C    57_A      C    57_A     2.573     0    0.014   0.051     2.986   57.143   58.413
LGA    R    58_A      R    58_A     3.107     0    0.084   1.511     5.367   53.571   51.472
LGA    Q    59_A      Q    59_A     3.767     0    0.022   0.954     6.826   40.238   35.926
LGA    S    60_A      S    60_A     4.453     0    0.058   0.075     5.155   32.976   32.460
LGA    E    61_A      E    61_A     5.199     0    0.038   0.739     5.955   25.119   26.402
LGA    D    62_A      D    62_A     6.364     0    0.067   1.041     7.859   18.214   16.488
LGA    Y    63_A      Y    63_A     5.476     0    0.107   0.178     6.861   26.310   18.929
LGA    E    64_A      E    64_A     4.807     0    0.037   0.915     8.615   34.524   22.275
LGA    S    65_A      S    65_A     3.230     0    0.103   0.699     5.144   48.333   44.921
LGA    F    66_A      F    66_A     2.842     0    0.030   0.107     2.892   57.143   62.771
LGA    S    67_A      S    67_A     2.553     0    0.018   0.040     3.065   60.952   58.492
LGA    C    68_A      C    68_A     2.117     0    0.081   0.111     2.233   64.762   67.460
LGA    V    69_A      V    69_A     2.633     0    0.004   0.027     3.279   60.952   56.259
LGA    C    70_A      C    70_A     1.970     0    0.019   0.046     2.363   66.786   70.238
LGA    P    71_A      P    71_A     2.416     0    0.017   0.226     2.502   62.857   63.673
LGA    T    72_A      T    72_A     2.965     0    0.671   0.877     4.832   50.714   48.912
LGA    G    73_A      G    73_A     1.291     0    0.023   0.023     1.313   83.690   83.690
LGA    W    74_A      W    74_A     0.431     0    0.022   0.180     1.195   95.238   90.544
LGA    Q    75_A      Q    75_A     0.452     0    0.032   0.335     1.352   95.238   92.646
LGA    G    76_A      G    76_A     0.943     0    0.077   0.077     1.355   85.952   85.952
LGA    Q    77_A      Q    77_A     1.718     0    0.017   0.835     6.124   75.000   54.868
LGA    T    78_A      T    78_A     0.920     0    0.029   0.058     1.038   88.214   87.891
LGA    C    79_A      C    79_A     0.601     0    0.028   0.055     1.313   92.857   90.556
LGA    E    80_A      E    80_A     0.293     0    0.017   0.551     1.568   97.619   92.751
LGA    V    81_A      V    81_A     0.662     0    0.022   0.029     1.239   95.238   90.612
LGA    D    82_A      D    82_A     0.966     0    0.025   0.071     1.556   90.476   83.810
LGA    I    83_A      I    83_A     0.691     0    0.039   0.087     1.075   88.214   91.726
LGA    N    84_A      N    84_A     0.978     0    0.022   0.068     1.070   85.952   84.821
LGA    E    85_A      E    85_A     1.219     0    0.078   0.116     1.412   81.429   81.429
LGA    C    86_A      C    86_A     1.478     0    0.037   0.099     1.520   79.286   80.000
LGA    V    87_A      V    87_A     1.657     0    0.046   0.994     4.248   77.143   67.891
LGA    L    88_A      L    88_A     0.864     0    0.451   0.343     2.876   79.881   72.381
LGA    S    89_A      S    89_A     0.840     0    0.390   0.714     3.235   83.810   76.349
LGA    P    90_A      P    90_A     1.047     0    0.102   0.221     1.350   85.952   84.014
LGA    C    91_A      C    91_A     0.581     0    0.035   0.134     0.860   90.476   90.476
LGA    R    92_A      R    92_A     0.891     0    0.015   1.216     3.842   90.476   73.117
LGA    H    93_A      H    93_A     1.109     0    0.037   0.122     1.694   83.690   79.762
LGA    G    94_A      G    94_A     1.081     0    0.118   0.118     1.362   81.429   81.429
LGA    A    95_A      A    95_A     0.717     0    0.023   0.042     0.890   90.476   90.476
LGA    S    96_A      S    96_A     1.223     0    0.114   0.542     1.534   81.429   80.000
LGA    C    97_A      C    97_A     1.279     0    0.000   0.037     1.439   81.429   81.429
LGA    Q    98_A      Q    98_A     1.506     0    0.020   1.218     3.942   75.000   67.831
LGA    N    99_A      N    99_A     1.767     0    0.088   0.203     2.422   68.810   69.821
LGA    T   100_A      T   100_A     2.193     0    0.046   0.067     2.318   66.786   65.918
LGA    H   101_A      H   101_A     2.446     0    0.028   1.039     2.822   62.857   65.048
LGA    G   102_A      G   102_A     2.392     0    0.015   0.015     2.392   64.762   64.762
LGA    G   103_A      G   103_A     1.978     0    0.029   0.029     2.128   70.833   70.833
LGA    Y   104_A      Y   104_A     1.579     0    0.038   0.117     1.736   72.857   80.079
LGA    R   105_A      R   105_A     1.714     0    0.042   1.153     4.073   72.857   76.190
LGA    C   106_A      C   106_A     1.169     0    0.040   0.124     1.323   81.429   84.444
LGA    H   107_A      H   107_A     1.191     0    0.015   1.016     4.732   81.429   65.714
LGA    C   108_A      C   108_A     1.042     0    0.039   0.073     1.463   81.429   86.032
LGA    Q   109_A      Q   109_A     1.768     0    0.044   0.262     2.010   72.976   73.862
LGA    A   110_A      A   110_A     2.723     0    0.654   0.598     4.582   52.619   52.095
LGA    G   111_A      G   111_A     1.774     0    0.092   0.092     1.774   72.857   72.857
LGA    Y   112_A      Y   112_A     1.097     0    0.045   0.123     2.100   85.952   80.159
LGA    S   113_A      S   113_A     1.107     0    0.026   0.163     1.202   81.429   82.937
LGA    G   114_A      G   114_A     1.367     0    0.043   0.043     1.382   81.429   81.429
LGA    R   115_A      R   115_A     1.521     0    0.019   1.200     8.443   79.286   45.671
LGA    N   116_A      N   116_A     1.106     0    0.010   0.354     1.798   85.952   83.750
LGA    C   117_A      C   117_A     0.907     0    0.027   0.054     1.088   83.690   87.540
LGA    E   118_A      E   118_A     1.552     0    0.024   0.469     1.845   75.000   75.714
LGA    T   119_A      T   119_A     2.201     0    0.034   0.058     2.670   68.810   64.898

# 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):     3.351          3.381                  3.562           61.862   59.918

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0     95    2.15    71.460    75.518     4.226

LGA_LOCAL      RMSD:   2.148  Number of atoms:   95  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.644  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   3.351  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.847318 * X  +   0.194477 * Y  +   0.494197 * Z  + -57.587410
  Y_new =   0.519842 * X  +  -0.494173 * Y  +  -0.696820 * Z  +  68.184875
  Z_new =   0.108704 * X  +   0.847332 * Y  +  -0.519819 * Z  +  28.146584 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.550297 -0.108919  2.121067   [DEG:   31.5297   -6.2406  121.5282 ]
ZXZ:  0.616886  2.117435  0.127593   [DEG:   35.3450  121.3201    7.3105 ]
 
# END of job
