
#######################################################
#                                                     #
#                        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       3.53     3.53
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70      40_A - 109_A       1.97     5.42
  LONGEST_CONTINUOUS_SEGMENT:    70      41_A - 110_A       1.99     5.63
  LCS_AVERAGE:     57.21

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      40_A - 88_A        0.99     5.13
  LCS_AVERAGE:     38.17

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     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     40   53  113     20   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     40   53  113      3   30   43   53   62   72   80   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     40   53  113     20   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     40   53  113     20   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     40   53  113      3    5    5   41   57   67   77   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     40   53  113      5   24   42   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     40   53  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     40   53  113     18   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     40   58  113     14   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     40   60  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     40   60  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     40   60  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     40   60  113     20   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     40   60  113      7   36   42   51   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     40   60  113     20   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     40   63  113     21   36   44   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     46   63  113     21   36   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     49   70  113     27   38   49   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     49   70  113     14   38   49   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     49   70  113     27   36   49   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     49   70  113     20   36   47   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     49   70  113     27   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     49   70  113     22   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     49   70  113     27   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     49   70  113     27   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     49   70  113      8   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     49   70  113     13   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     49   70  113     27   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     49   70  113     27   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     49   70  113     27   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     49   70  113     27   38   49   55   63   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     49   70  113     27   38   49   55   60   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     49   70  113     27   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     49   70  113     27   38   49   55   60   72   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     49   70  113     27   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     49   70  113     27   38   49   55   60   72   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     49   70  113     27   38   49   55   60   72   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     49   70  113      5   31   49   55   60   67   76   84   90  101  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     49   70  113      5   35   49   55   60   67   76   84   91  102  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     49   70  113      5    6   28   37   58   67   74   84   92  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     49   70  113      4   35   49   55   60   67   78   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     49   70  113     12   38   49   55   60   67   79   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     49   70  113     22   38   49   55   60   67   78   86   93  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     49   70  113     27   38   49   55   60   72   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     49   70  113     27   38   49   55   60   72   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     49   70  113     27   38   49   55   60   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     49   70  113     27   36   49   55   60   72   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     49   70  113     27   38   49   55   63   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     49   70  113     23   38   49   55   60   72   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     49   70  113     23   38   49   55   60   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     49   70  113     23   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     49   70  113     27   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     49   70  113     27   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     49   70  113     23   36   49   55   60   72   81   86   93  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     49   70  113     23   36   49   55   60   70   80   86   93  101  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     49   70  113     27   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     49   70  113     27   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     49   70  113     27   38   49   55   63   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     49   70  113     27   38   49   55   63   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     49   70  113     27   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     49   70  113     23   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     49   70  113      9   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     49   70  113      6   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     49   70  113     15   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     49   70  113     15   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     49   70  113      8   38   49   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     37   70  113      3   29   43   55   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     37   70  113     15   29   39   55   63   73   80   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     37   70  113     15   29   35   55   60   73   80   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     37   70  113     15   29   35   40   60   67   73   85   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     37   70  113     10   29   35   40   50   66   72   83   94  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     37   70  113      3   26   35   40   50   66   72   84   94  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     37   70  113     15   29   35   55   60   67   72   84   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     37   70  113     15   29   41   55   60   67   79   85   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     37   70  113     15   31   48   55   61   73   80   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     37   70  113     15   38   49   55   60   73   80   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     37   70  113     15   34   49   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     37   70  113     11   29   44   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     37   70  113      7   19   35   47   62   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     37   70  113     15   33   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     37   70  113      7   30   43   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     37   70  113     15   29   44   54   64   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     37   70  113     15   29   47   54   63   73   81   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     37   70  113     15   29   46   55   60   68   80   86   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     37   70  113     15   29   46   55   60   67   74   84   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     37   70  113     15   29   35   55   60   67   72   83   94  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     37   70  113     15   29   35   55   60   67   72   79   90  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     37   70  113     15   29   35   46   60   67   72   76   85   90  102  111  112  112  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     37   68  113     15   29   35   41   54   66   72   76   81   89   93  105  112  112  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     37   65  113     15   29   35   41   60   67   72   76   86   94  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     37   56  113     15   29   35   42   60   67   72   78   87  100  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     37   55  113     13   29   35   40   45   62   72   76   86  102  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     37   55  113     15   29   35   40   46   66   72   83   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     37   55  113     15   29   35   40   60   67   72   85   95  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     37   55  113     15   29   35   40   60   67   72   83   94  103  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     37   55  113     13   29   35   40   44   54   72   75   79   96  110  111  112  112  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     37   55  113      3   19   30   36   38   44   48   59   71   76   80   81   89  103  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  65.13  (  38.17   57.21  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     27     38     49     55     64     73     81     86     95    103    110    111    112    112    113    113    113    113    113    113 
GDT PERCENT_AT  23.89  33.63  43.36  48.67  56.64  64.60  71.68  76.11  84.07  91.15  97.35  98.23  99.12  99.12 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.64   0.85   1.31   1.57   1.85   2.17   2.30   2.71   3.07   3.35   3.40   3.46   3.46   3.53   3.53   3.53   3.53   3.53   3.53
GDT RMS_ALL_AT   5.70   5.38   5.28   5.93   4.53   4.34   4.40   4.26   3.79   3.62   3.55   3.54   3.53   3.53   3.53   3.53   3.53   3.53   3.53   3.53

# Checking swapping
#   possible swapping detected:  Y    34_A      Y    34_A
#   possible swapping detected:  E    61_A      E    61_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  Y   104_A      Y   104_A
#   possible swapping detected:  Y   112_A      Y   112_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     0.767     0    0.071   0.856     4.273   88.214   77.460
LGA    C     8_A      C     8_A     1.229     0    0.048   0.090     1.784   77.143   77.143
LGA    A     9_A      A     9_A     2.094     0    0.049   0.055     2.641   64.881   64.857
LGA    S    10_A      S    10_A     1.941     0    0.034   0.140     2.248   70.833   72.937
LGA    N    11_A      N    11_A     1.713     0    0.018   0.981     5.924   72.857   53.810
LGA    P    12_A      P    12_A     1.056     0    0.023   0.069     1.146   85.952   85.306
LGA    C    13_A      C    13_A     0.679     0    0.067   0.082     1.086   88.214   88.968
LGA    L    14_A      L    14_A     1.516     0    0.018   0.120     2.235   79.286   74.048
LGA    N    15_A      N    15_A     1.813     0    0.616   0.589     2.570   68.929   69.881
LGA    Q    16_A      Q    16_A     3.432     0    0.009   0.745     6.681   51.786   39.259
LGA    G    17_A      G    17_A     2.047     0    0.066   0.066     2.284   64.762   64.762
LGA    T    18_A      T    18_A     2.658     0    0.071   1.185     4.671   62.857   57.959
LGA    C    19_A      C    19_A     1.774     0    0.084   0.121     2.256   66.786   71.667
LGA    I    20_A      I    20_A     2.499     0    0.018   0.658     3.294   66.786   60.179
LGA    D    21_A      D    21_A     1.839     0    0.071   0.850     4.067   64.881   57.857
LGA    D    22_A      D    22_A     2.393     0    0.058   0.891     6.034   72.976   53.631
LGA    V    23_A      V    23_A     2.422     0    0.612   0.551     3.846   60.952   55.306
LGA    A    24_A      A    24_A     4.401     0    0.495   0.500     6.033   45.119   39.524
LGA    G    25_A      G    25_A     2.097     0    0.152   0.152     3.057   61.190   61.190
LGA    Y    26_A      Y    26_A     1.194     0    0.010   0.131     1.561   79.286   91.508
LGA    K    27_A      K    27_A     1.813     0    0.012   0.060     3.218   72.857   65.026
LGA    C    28_A      C    28_A     1.453     0    0.052   0.056     1.938   75.000   81.746
LGA    N    29_A      N    29_A     2.444     0    0.031   1.119     5.164   64.762   58.155
LGA    C    30_A      C    30_A     2.063     0    0.043   0.073     2.915   62.857   67.619
LGA    L    31_A      L    31_A     2.802     0    0.194   0.256     4.135   60.952   51.429
LGA    L    32_A      L    32_A     1.579     0    0.055   0.241     2.022   72.857   72.917
LGA    P    33_A      P    33_A     0.758     0    0.240   0.244     1.617   85.952   84.082
LGA    Y    34_A      Y    34_A     0.886     0    0.039   0.181     3.458   81.548   71.310
LGA    T    35_A      T    35_A     1.584     0    0.073   0.102     2.658   77.143   70.748
LGA    G    36_A      G    36_A     2.710     0    0.058   0.058     2.710   64.881   64.881
LGA    A    37_A      A    37_A     2.109     0    0.069   0.080     2.404   73.095   71.429
LGA    T    38_A      T    38_A     0.952     0    0.022   0.123     2.229   85.952   81.633
LGA    C    39_A      C    39_A     0.493     0    0.026   0.047     1.362   88.333   87.540
LGA    E    40_A      E    40_A     2.001     0    0.037   0.238     2.701   64.881   64.868
LGA    V    41_A      V    41_A     2.331     0    0.076   0.121     2.981   70.952   65.034
LGA    V    42_A      V    42_A     1.904     0    0.041   0.090     2.576   68.810   67.143
LGA    L    43_A      L    43_A     1.289     0    0.299   0.316     1.936   81.548   80.417
LGA    A    44_A      A    44_A     1.715     0    0.210   0.226     2.091   75.000   72.952
LGA    P    45_A      P    45_A     1.916     0    0.037   0.115     2.921   77.143   68.571
LGA    C    46_A      C    46_A     1.041     0    0.095   0.114     1.913   83.690   81.508
LGA    A    47_A      A    47_A     0.761     0    0.571   0.528     4.459   73.095   76.571
LGA    P    48_A      P    48_A     0.971     0    0.673   0.680     4.064   68.333   72.857
LGA    S    49_A      S    49_A     1.439     0    0.289   0.639     3.378   77.381   72.063
LGA    P    50_A      P    50_A     1.718     0    0.070   0.087     1.932   77.143   77.755
LGA    C    51_A      C    51_A     0.473     0    0.027   0.063     1.637   86.190   83.175
LGA    R    52_A      R    52_A     1.778     0    0.029   0.100     4.110   77.143   60.736
LGA    N    53_A      N    53_A     2.659     0    0.020   0.096     3.584   59.048   58.274
LGA    G    54_A      G    54_A     3.365     0    0.028   0.028     3.543   48.333   48.333
LGA    G    55_A      G    55_A     2.225     0    0.019   0.019     2.479   64.762   64.762
LGA    E    56_A      E    56_A     3.235     0    0.029   1.121     4.248   53.571   50.423
LGA    C    57_A      C    57_A     2.386     0    0.071   0.132     3.151   57.262   62.460
LGA    R    58_A      R    58_A     3.989     0    0.030   1.261    12.053   41.905   22.944
LGA    Q    59_A      Q    59_A     4.121     0    0.039   1.029     5.329   32.976   43.598
LGA    S    60_A      S    60_A     5.836     0    0.022   0.043     6.196   23.810   22.302
LGA    E    61_A      E    61_A     6.037     0    0.076   0.765     9.483   20.476   11.905
LGA    D    62_A      D    62_A     5.735     0    0.445   1.171     6.438   20.357   22.917
LGA    Y    63_A      Y    63_A     4.700     0    0.145   0.281     4.825   31.429   32.381
LGA    E    64_A      E    64_A     4.613     0    0.061   0.537     6.216   31.429   29.894
LGA    S    65_A      S    65_A     4.766     0    0.044   0.078     5.699   34.286   30.794
LGA    F    66_A      F    66_A     4.032     0    0.019   0.165     4.357   37.143   46.017
LGA    S    67_A      S    67_A     4.066     0    0.143   0.556     4.624   40.238   39.286
LGA    C    68_A      C    68_A     2.903     0    0.058   0.091     3.625   50.119   56.349
LGA    V    69_A      V    69_A     3.891     0    0.034   0.044     5.056   46.667   39.388
LGA    C    70_A      C    70_A     2.536     0    0.013   0.027     3.544   51.905   57.540
LGA    P    71_A      P    71_A     3.292     0    0.050   0.083     3.421   57.262   57.279
LGA    T    72_A      T    72_A     2.970     0    0.020   0.047     3.657   59.167   54.286
LGA    G    73_A      G    73_A     1.603     0    0.076   0.076     2.124   82.024   82.024
LGA    W    74_A      W    74_A     0.717     0    0.044   1.095     4.097   81.548   71.361
LGA    Q    75_A      Q    75_A     2.314     0    0.074   0.373     4.319   64.881   56.772
LGA    G    76_A      G    76_A     3.867     0    0.043   0.043     3.867   46.667   46.667
LGA    Q    77_A      Q    77_A     4.314     0    0.018   0.251     5.840   43.571   34.021
LGA    T    78_A      T    78_A     2.184     0    0.045   0.058     3.159   67.262   62.993
LGA    C    79_A      C    79_A     1.255     0    0.034   0.051     1.806   79.286   81.508
LGA    E    80_A      E    80_A     2.451     0    0.009   0.209     5.092   61.190   50.159
LGA    V    81_A      V    81_A     2.522     0    0.039   0.065     3.404   64.881   59.524
LGA    D    82_A      D    82_A     1.608     0    0.023   0.836     3.870   70.833   63.333
LGA    I    83_A      I    83_A     1.489     0    0.088   0.109     2.274   81.429   77.202
LGA    N    84_A      N    84_A     1.959     0    0.120   0.205     3.875   77.143   63.631
LGA    E    85_A      E    85_A     0.774     0    0.072   0.782     2.421   88.214   83.651
LGA    C    86_A      C    86_A     1.187     0    0.051   0.060     2.061   81.429   77.222
LGA    V    87_A      V    87_A     1.774     0    0.104   0.925     3.868   72.976   63.333
LGA    L    88_A      L    88_A     1.191     0    0.458   0.352     5.570   79.524   59.107
LGA    S    89_A      S    89_A     2.359     0    0.366   0.707     6.055   65.119   53.492
LGA    P    90_A      P    90_A     3.085     0    0.111   0.205     4.207   46.905   49.252
LGA    C    91_A      C    91_A     4.540     0    0.102   0.122     4.902   35.833   35.317
LGA    R    92_A      R    92_A     6.577     0    0.026   1.569     9.088   13.690   12.511
LGA    H    93_A      H    93_A     8.543     0    0.618   1.210    11.012    3.571    1.952
LGA    G    94_A      G    94_A     8.309     0    0.307   0.307     8.404    6.667    6.667
LGA    A    95_A      A    95_A     7.102     0    0.010   0.023     7.671   11.905   12.190
LGA    S    96_A      S    96_A     5.893     0    0.023   0.719     8.056   22.738   18.810
LGA    C    97_A      C    97_A     3.870     0    0.017   0.030     4.589   38.810   45.000
LGA    Q    98_A      Q    98_A     3.620     0    0.036   0.234     5.091   50.238   40.476
LGA    N    99_A      N    99_A     2.185     0    0.058   0.831     2.814   62.857   63.810
LGA    T   100_A      T   100_A     1.312     0    0.607   0.604     2.091   77.381   77.891
LGA    H   101_A      H   101_A     2.569     0    0.617   1.023     4.360   55.952   57.286
LGA    G   102_A      G   102_A     1.297     0    0.085   0.085     1.753   79.286   79.286
LGA    G   103_A      G   103_A     1.718     0    0.039   0.039     1.718   81.548   81.548
LGA    Y   104_A      Y   104_A     1.984     0    0.030   0.116     4.076   68.810   58.849
LGA    R   105_A      R   105_A     3.126     0    0.058   1.519     6.449   48.452   45.801
LGA    C   106_A      C   106_A     5.096     0    0.107   0.150     6.433   25.476   26.587
LGA    H   107_A      H   107_A     6.856     0    0.024   1.018     7.657   12.619   13.714
LGA    C   108_A      C   108_A     8.118     0    0.028   0.081     9.100    4.048    4.683
LGA    Q   109_A      Q   109_A     9.306     0    0.033   1.297     9.979    1.310    9.048
LGA    A   110_A      A   110_A    11.186     0    0.012   0.013    11.881    0.000    0.000
LGA    G   111_A      G   111_A    11.764     0    0.153   0.153    11.764    0.000    0.000
LGA    Y   112_A      Y   112_A    10.145     0    0.024   0.181    10.709    0.119    0.357
LGA    S   113_A      S   113_A     9.798     0    0.734   0.639    10.957    0.714    0.476
LGA    G   114_A      G   114_A     8.517     0    0.034   0.034     8.957    5.714    5.714
LGA    R   115_A      R   115_A     6.512     0    0.056   0.741     7.306   15.476   24.113
LGA    N   116_A      N   116_A     6.206     0    0.014   0.059     6.771   15.238   19.048
LGA    C   117_A      C   117_A     7.847     0    0.102   0.104     8.755    6.190    6.984
LGA    E   118_A      E   118_A     8.961     0    0.028   1.045    10.787    1.905    3.915
LGA    T   119_A      T   119_A    11.739     0    0.167   1.056    13.577    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):     3.527          3.515                  3.833           54.909   52.459

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0     86    2.30    64.602    66.965     3.587

LGA_LOCAL      RMSD:   2.298  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.264  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   3.527  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.912009 * X  +   0.368909 * Y  +  -0.179291 * Z  + -40.322575
  Y_new =  -0.205242 * X  +   0.031993 * Y  +  -0.978188 * Z  +  50.208866
  Z_new =  -0.355126 * X  +   0.928915 * Y  +   0.104893 * Z  +  19.018461 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.221357  0.363049  1.458352   [DEG:  -12.6828   20.8012   83.5574 ]
ZXZ: -0.181277  1.465710 -0.365157   [DEG:  -10.3864   83.9790  -20.9220 ]
 
# END of job
