
#######################################################
#                                                     #
#                        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       3.50     3.50
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72      40_A - 111_A       1.98     5.63
  LCS_AVERAGE:     59.23

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      40_A - 88_A        0.95     5.08
  LCS_AVERAGE:     38.51

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     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     40   53  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     40   53  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     40   53  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     40   53  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     40   53  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     40   53  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     40   53  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     40   53  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     40   53  113     25   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     40   53  113     25   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     40   53  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     40   53  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     40   53  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     40   53  113     25   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     40   53  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     40   53  113     10   35   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     40   53  113      3    5   31   50   63   72   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     40   53  113      6   36   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     40   53  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     40   53  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     40   53  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     40   53  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     40   56  113     26   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     40   59  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     40   60  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     40   60  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     40   60  113     24   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     40   60  113     25   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     40   60  113      7   35   42   50   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     40   64  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     47   71  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     47   71  113     27   37   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     49   72  113     27   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     49   72  113     27   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     49   72  113     27   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     49   72  113     27   37   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     49   72  113     23   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     49   72  113     23   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     49   72  113     23   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     49   72  113      5   36   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     49   72  113      2   26   48   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     49   72  113     23   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     49   72  113     23   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     49   72  113     23   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     49   72  113     23   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     49   72  113     23   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     49   72  113     22   42   49   56   62   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     49   72  113     23   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     49   72  113     22   42   49   56   62   73   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     49   72  113     23   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     49   72  113     23   42   49   56   62   72   81   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     49   72  113     23   42   49   56   62   72   81   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     49   72  113      6   42   49   56   62   68   75   85   91  102  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     49   72  113      6   42   49   56   62   68   75   85   92  103  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     49   72  113      4    8   28   54   62   68   75   85   93  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     49   72  113      6   42   49   56   62   68   75   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     49   72  113     21   42   49   56   62   68   77   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     49   72  113     23   42   49   56   62   68   75   86   93  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     49   72  113     21   42   49   56   62   72   81   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     49   72  113     23   42   49   56   62   72   81   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     49   72  113     22   42   49   56   62   73   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     49   72  113     22   37   49   56   62   72   81   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     49   72  113     23   42   49   56   62   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     49   72  113     23   42   49   56   62   73   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     49   72  113     23   42   49   56   62   73   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     49   72  113     23   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     49   72  113     23   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     49   72  113     23   42   49   56   62   73   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     49   72  113     22   37   49   56   62   72   81   87   94  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     49   72  113     22   37   49   56   62   71   81   87   93  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     49   72  113     22   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     49   72  113     23   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     49   72  113     22   42   49   56   62   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     49   72  113     23   42   49   56   62   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     49   72  113     23   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     49   72  113     22   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     49   72  113     10   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     49   72  113     11   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     49   72  113     19   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     49   72  113     17   41   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     49   72  113     11   41   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     42   72  113      3   32   44   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     38   72  113     13   30   39   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     38   72  113     22   30   36   55   62   73   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     38   72  113     22   30   36   42   61   68   75   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     38   72  113     22   30   36   42   53   68   75   86   94  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     38   72  113     22   30   36   48   58   68   75   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     38   72  113     22   30   36   54   62   68   75   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     38   72  113     22   30   39   56   62   68   78   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     38   72  113     22   30   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     38   72  113     22   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     38   72  113     22   42   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     38   72  113     17   36   49   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     38   72  113     21   30   41   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     38   72  113      7   27   44   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     38   72  113      7   30   42   55   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     38   72  113     22   30   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     38   72  113     22   30   49   56   63   74   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     38   72  113     22   30   44   56   62   68   82   87   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     38   72  113     22   30   41   56   62   68   75   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     38   72  113     22   30   36   54   62   68   75   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     38   72  113     21   30   36   50   61   68   75   82   92  103  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     38   72  113      9   30   36   42   58   68   75   78   86   90  101  109  111  112  112  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     38   72  113     22   30   36   42   52   65   73   78   81   87   91  102  110  112  112  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     38   70  113     22   30   36   42   56   68   75   78   86   91  105  110  111  112  112  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     38   70  113     22   30   36   42   58   68   75   82   89  102  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     38   70  113     22   30   36   42   52   68   75   82   93  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     38   70  113     22   30   36   42   57   68   75   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     38   70  113     22   30   36   42   61   68   75   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     38   70  113     22   30   36   42   61   68   75   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     38   62  113     22   30   36   42   46   63   73   78   83   93  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     38   57  113      3    3   30   35   38   43   46   53   67   75   79   80   87  103  108  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  65.91  (  38.51   59.23  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     42     49     56     63     74     82     87     95    104    109    110    111    112    112    113    113    113    113    113 
GDT PERCENT_AT  23.89  37.17  43.36  49.56  55.75  65.49  72.57  76.99  84.07  92.04  96.46  97.35  98.23  99.12  99.12 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.69   0.85   1.19   1.54   1.88   2.13   2.31   2.70   3.06   3.26   3.31   3.37   3.43   3.43   3.50   3.50   3.50   3.50   3.50
GDT RMS_ALL_AT   5.80   5.22   5.24   5.35   4.20   4.18   4.05   4.22   3.76   3.61   3.54   3.53   3.51   3.51   3.51   3.50   3.50   3.50   3.50   3.50

# Checking swapping
#   possible swapping detected:  Y    34_A      Y    34_A
#   possible swapping detected:  E    61_A      E    61_A
#   possible swapping detected:  D    62_A      D    62_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     0.959     0    0.044   0.575     2.583   81.548   84.974
LGA    C     8_A      C     8_A     1.463     0    0.044   0.075     2.013   75.119   74.365
LGA    A     9_A      A     9_A     2.401     0    0.048   0.053     2.949   64.881   64.857
LGA    S    10_A      S    10_A     2.137     0    0.036   0.143     2.397   64.762   67.460
LGA    N    11_A      N    11_A     1.879     0    0.022   0.981     6.174   72.857   53.274
LGA    P    12_A      P    12_A     1.123     0    0.026   0.069     1.237   85.952   85.306
LGA    C    13_A      C    13_A     0.795     0    0.058   0.070     1.302   85.952   87.460
LGA    L    14_A      L    14_A     1.768     0    0.021   0.120     2.671   77.143   70.060
LGA    N    15_A      N    15_A     2.137     0    0.026   0.141     2.347   64.762   67.798
LGA    Q    16_A      Q    16_A     3.058     0    0.063   1.146     6.036   53.571   43.704
LGA    G    17_A      G    17_A     1.948     0    0.064   0.064     2.389   68.810   68.810
LGA    T    18_A      T    18_A     2.767     0    0.077   1.181     4.833   60.952   56.871
LGA    C    19_A      C    19_A     1.887     0    0.076   0.107     2.313   66.786   70.238
LGA    I    20_A      I    20_A     2.538     0    0.019   0.652     3.239   62.857   58.214
LGA    D    21_A      D    21_A     2.074     0    0.010   0.056     2.793   62.857   65.833
LGA    D    22_A      D    22_A     2.500     0    0.070   0.873     6.428   71.310   50.595
LGA    V    23_A      V    23_A     1.795     0    0.014   0.099     3.710   72.976   64.218
LGA    A    24_A      A    24_A     3.451     0    0.547   0.565     5.178   57.262   51.048
LGA    G    25_A      G    25_A     1.812     0    0.122   0.122     2.670   69.048   69.048
LGA    Y    26_A      Y    26_A     1.355     0    0.015   0.109     1.527   79.286   87.579
LGA    K    27_A      K    27_A     1.814     0    0.011   0.588     3.202   72.857   65.026
LGA    C    28_A      C    28_A     1.453     0    0.056   0.071     1.877   75.000   80.159
LGA    N    29_A      N    29_A     2.335     0    0.039   1.116     5.227   64.762   58.155
LGA    C    30_A      C    30_A     1.828     0    0.044   0.075     2.491   66.786   70.238
LGA    L    31_A      L    31_A     2.203     0    0.188   1.072     4.088   64.881   61.429
LGA    L    32_A      L    32_A     1.345     0    0.054   0.247     1.712   79.286   78.214
LGA    P    33_A      P    33_A     0.668     0    0.256   0.259     1.539   83.810   84.082
LGA    Y    34_A      Y    34_A     0.895     0    0.044   0.155     3.326   81.548   72.024
LGA    T    35_A      T    35_A     1.683     0    0.072   0.098     2.797   75.000   69.524
LGA    G    36_A      G    36_A     2.770     0    0.057   0.057     2.770   64.881   64.881
LGA    A    37_A      A    37_A     2.102     0    0.055   0.067     2.428   73.095   71.429
LGA    T    38_A      T    38_A     0.951     0    0.013   0.081     2.127   85.952   81.633
LGA    C    39_A      C    39_A     0.549     0    0.031   0.044     1.332   85.952   85.952
LGA    E    40_A      E    40_A     2.040     0    0.036   0.207     2.736   64.881   63.122
LGA    V    41_A      V    41_A     2.386     0    0.071   0.110     3.144   70.952   64.014
LGA    V    42_A      V    42_A     1.866     0    0.048   0.098     2.460   68.810   68.231
LGA    L    43_A      L    43_A     1.270     0    0.286   0.314     1.921   81.548   80.417
LGA    A    44_A      A    44_A     1.553     0    0.210   0.222     1.867   77.143   76.286
LGA    P    45_A      P    45_A     1.941     0    0.042   0.117     2.884   77.143   68.571
LGA    C    46_A      C    46_A     0.485     0    0.060   0.064     1.829   95.238   89.206
LGA    A    47_A      A    47_A     1.575     0    0.621   0.605     4.795   62.976   66.667
LGA    P    48_A      P    48_A     0.933     0    0.137   0.151     2.623   77.619   71.020
LGA    S    49_A      S    49_A     1.305     0    0.222   0.626     3.048   75.119   71.984
LGA    P    50_A      P    50_A     1.693     0    0.032   0.038     1.912   77.143   79.048
LGA    C    51_A      C    51_A     0.480     0    0.021   0.054     1.628   86.190   84.683
LGA    R    52_A      R    52_A     1.750     0    0.029   0.099     4.183   77.143   60.130
LGA    N    53_A      N    53_A     2.560     0    0.023   0.100     3.494   59.048   59.107
LGA    G    54_A      G    54_A     3.309     0    0.029   0.029     3.520   50.119   50.119
LGA    G    55_A      G    55_A     2.208     0    0.017   0.017     2.478   64.762   64.762
LGA    E    56_A      E    56_A     3.273     0    0.021   1.126     4.489   53.571   48.942
LGA    C    57_A      C    57_A     2.354     0    0.041   0.104     3.253   57.262   62.460
LGA    R    58_A      R    58_A     3.954     0    0.039   1.255    12.104   43.452   23.117
LGA    Q    59_A      Q    59_A     4.085     0    0.046   1.027     5.339   34.524   43.492
LGA    S    60_A      S    60_A     5.867     0    0.011   0.102     6.235   23.810   21.587
LGA    E    61_A      E    61_A     6.271     0    0.079   0.697    10.109   19.286   10.317
LGA    D    62_A      D    62_A     5.818     0    0.057   1.007     9.490   23.810   16.369
LGA    Y    63_A      Y    63_A     4.903     0    0.171   0.203     5.193   30.119   30.992
LGA    E    64_A      E    64_A     4.871     0    0.107   0.512     6.241   31.429   28.095
LGA    S    65_A      S    65_A     4.882     0    0.044   0.078     5.921   32.857   29.048
LGA    F    66_A      F    66_A     3.945     0    0.027   0.154     4.299   38.690   47.186
LGA    S    67_A      S    67_A     3.963     0    0.071   0.656     4.581   45.000   44.762
LGA    C    68_A      C    68_A     2.932     0    0.057   0.093     3.759   50.119   56.349
LGA    V    69_A      V    69_A     3.991     0    0.026   0.036     5.242   46.667   38.639
LGA    C    70_A      C    70_A     2.567     0    0.015   0.032     3.596   51.905   56.190
LGA    P    71_A      P    71_A     3.222     0    0.055   0.085     3.295   57.262   57.279
LGA    T    72_A      T    72_A     2.880     0    0.014   0.045     3.708   59.167   54.286
LGA    G    73_A      G    73_A     1.282     0    0.044   0.044     1.910   83.810   83.810
LGA    W    74_A      W    74_A     0.902     0    0.032   0.170     2.603   77.381   76.224
LGA    Q    75_A      Q    75_A     2.473     0    0.078   0.346     4.556   64.881   53.069
LGA    G    76_A      G    76_A     3.930     0    0.044   0.044     3.930   45.000   45.000
LGA    Q    77_A      Q    77_A     4.274     0    0.017   0.277     5.744   43.571   34.550
LGA    T    78_A      T    78_A     2.192     0    0.036   0.050     3.127   67.262   62.993
LGA    C    79_A      C    79_A     1.359     0    0.043   0.055     1.884   79.286   81.508
LGA    E    80_A      E    80_A     2.474     0    0.021   0.225     5.088   60.952   50.053
LGA    V    81_A      V    81_A     2.687     0    0.058   0.083     3.676   62.976   56.463
LGA    D    82_A      D    82_A     1.550     0    0.055   0.190     2.028   70.833   75.060
LGA    I    83_A      I    83_A     1.531     0    0.100   0.097     2.177   79.286   76.131
LGA    N    84_A      N    84_A     1.880     0    0.111   0.219     3.811   77.143   63.631
LGA    E    85_A      E    85_A     0.500     0    0.087   1.299     4.309   92.857   79.312
LGA    C    86_A      C    86_A     1.020     0    0.049   0.060     2.003   83.690   78.730
LGA    V    87_A      V    87_A     1.769     0    0.105   0.923     3.940   72.976   63.333
LGA    L    88_A      L    88_A     1.410     0    0.458   0.352     5.929   79.524   57.440
LGA    S    89_A      S    89_A     2.106     0    0.367   0.707     5.724   69.286   58.095
LGA    P    90_A      P    90_A     3.046     0    0.113   0.206     4.167   46.905   48.299
LGA    C    91_A      C    91_A     4.438     0    0.100   0.124     4.749   37.262   36.270
LGA    R    92_A      R    92_A     6.385     0    0.047   1.563     8.793   15.476   15.022
LGA    H    93_A      H    93_A     8.094     0    0.058   1.139    10.261    5.595    3.571
LGA    G    94_A      G    94_A     7.664     0    0.027   0.027     7.664    8.571    8.571
LGA    A    95_A      A    95_A     6.645     0    0.028   0.033     6.929   16.310   16.476
LGA    S    96_A      S    96_A     5.738     0    0.059   0.540     8.046   21.548   18.016
LGA    C    97_A      C    97_A     3.810     0    0.015   0.038     4.446   41.786   46.984
LGA    Q    98_A      Q    98_A     3.714     0    0.025   0.254     5.495   48.452   39.101
LGA    N    99_A      N    99_A     2.140     0    0.064   0.797     2.845   62.857   61.905
LGA    T   100_A      T   100_A     1.590     0    0.071   0.075     2.211   79.405   76.667
LGA    H   101_A      H   101_A     1.533     0    0.076   0.976     3.573   77.143   70.571
LGA    G   102_A      G   102_A     1.749     0    0.023   0.023     2.197   72.976   72.976
LGA    G   103_A      G   103_A     2.001     0    0.023   0.023     2.001   70.833   70.833
LGA    Y   104_A      Y   104_A     2.187     0    0.045   0.090     4.022   60.952   54.444
LGA    R   105_A      R   105_A     3.483     0    0.051   1.509     5.769   46.905   45.974
LGA    C   106_A      C   106_A     5.292     0    0.087   0.120     6.646   22.024   23.492
LGA    H   107_A      H   107_A     7.036     0    0.038   1.014     7.920   11.786   11.857
LGA    C   108_A      C   108_A     8.063     0    0.031   0.091     9.156    4.048    4.683
LGA    Q   109_A      Q   109_A     9.148     0    0.048   0.667    10.234    1.786    2.487
LGA    A   110_A      A   110_A    11.191     0    0.022   0.023    11.922    0.000    0.000
LGA    G   111_A      G   111_A    11.916     0    0.136   0.136    11.916    0.000    0.000
LGA    Y   112_A      Y   112_A    10.215     0    0.046   0.170    11.437    0.238    0.119
LGA    S   113_A      S   113_A     9.329     0    0.078   0.686    10.857    1.905    1.349
LGA    G   114_A      G   114_A     8.171     0    0.040   0.040     8.560    6.905    6.905
LGA    R   115_A      R   115_A     6.416     0    0.047   0.776     7.120   16.429   25.411
LGA    N   116_A      N   116_A     6.240     0    0.006   0.072     6.776   15.238   18.512
LGA    C   117_A      C   117_A     7.800     0    0.052   0.078     8.610    6.190    6.984
LGA    E   118_A      E   118_A     8.736     0    0.029   1.030    10.348    2.024    5.556
LGA    T   119_A      T   119_A    11.859     0    0.402   1.222    13.990    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):     3.505          3.478                  3.818           55.306   52.738

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0     87    2.31    65.929    67.831     3.613

LGA_LOCAL      RMSD:   2.308  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.222  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   3.505  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.879672 * X  +   0.472201 * Y  +  -0.056593 * Z  + -34.804035
  Y_new =  -0.132104 * X  +  -0.356929 * Y  +  -0.924743 * Z  +  52.791569
  Z_new =  -0.456865 * X  +  -0.805995 * Y  +   0.376360 * Z  +  22.520721 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.992533  0.474467 -1.133936   [DEG: -171.4595   27.1850  -64.9697 ]
ZXZ: -0.061123  1.184932 -2.625918   [DEG:   -3.5021   67.8916 -150.4540 ]
 
# END of job
