
#######################################################
#                                                     #
#                        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       3.52     3.52
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72      39_A - 110_A       2.00     5.37
  LONGEST_CONTINUOUS_SEGMENT:    72      40_A - 111_A       1.97     5.66
  LONGEST_CONTINUOUS_SEGMENT:    72      41_A - 112_A       2.00     5.81
  LCS_AVERAGE:     59.28

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      40_A - 88_A        0.94     5.13
  LCS_AVERAGE:     38.79

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     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     41   53  113     26   38   43   56   64   73   81   87   93  101  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     41   53  113      3    8   12   46   61   70   78   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     41   53  113      5   29   42   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     41   53  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     41   59  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     41   60  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     41   60  113     22   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     41   60  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     41   60  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     41   60  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     41   60  113      9   38   43   52   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     41   64  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     47   71  113     26   38   44   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     48   72  113     26   38   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     49   72  113     20   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     49   72  113     10   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     49   72  113     22   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     49   72  113     26   38   48   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     49   72  113     25   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     49   72  113     25   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     49   72  113     25   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     49   72  113     25   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     49   72  113      8   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     49   72  113     10   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     49   72  113     25   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     49   72  113     25   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     49   72  113     25   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     49   72  113     25   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     49   72  113     25   42   50   57   62   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     49   72  113     25   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     49   72  113     25   42   50   57   62   72   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     49   72  113     25   42   50   57   63   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     49   72  113     25   42   50   57   62   71   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     49   72  113     25   42   50   57   62   70   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     49   72  113      5   35   50   57   62   67   75   85   90  101  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     49   72  113      4   42   50   57   62   67   75   85   91  101  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     49   72  113      4    5   29   40   62   67   75   85   93  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     49   72  113      3   38   50   57   62   67   77   85   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     49   72  113     11   42   50   57   62   67   77   85   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     49   72  113     25   42   50   57   62   67   77   85   93  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     49   72  113     25   42   50   57   62   71   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     49   72  113     25   42   50   57   62   71   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     49   72  113     25   42   50   57   62   73   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     49   72  113     25   40   50   57   62   71   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     49   72  113     25   42   50   57   62   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     49   72  113     23   42   50   57   62   72   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     49   72  113     23   42   50   57   62   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     49   72  113     23   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     49   72  113     23   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     49   72  113     23   42   50   57   62   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     49   72  113     23   38   50   57   62   71   81   86   93  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     49   72  113     23   38   50   57   62   71   81   86   93  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     49   72  113     25   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     49   72  113     25   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     49   72  113     25   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     49   72  113     25   42   50   57   62   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     49   72  113     25   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     49   72  113     20   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     49   72  113     10   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     49   72  113     11   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     49   72  113     18   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     49   72  113     16   40   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     49   72  113     11   40   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     46   72  113      3   30   43   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     38   72  113     11   30   39   57   64   75   80   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     38   72  113     21   30   36   56   62   73   80   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     38   72  113     21   30   36   42   60   67   75   85   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     38   72  113     21   30   36   42   52   67   75   83   93  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     38   72  113     21   30   36   42   58   67   75   83   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     38   72  113     21   30   36   55   62   67   75   85   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     38   72  113     21   30   41   57   62   67   79   85   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     38   72  113     21   30   50   57   64   75   80   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     38   72  113     21   42   50   57   63   75   80   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     38   72  113     20   42   50   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     38   72  113     13   36   47   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     38   72  113     20   30   40   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     38   72  113      7   27   43   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     38   72  113      7   28   42   56   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     38   72  113     21   30   49   57   64   75   81   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     38   72  113     21   30   50   57   64   75   80   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     38   72  113     21   30   47   57   62   68   80   87   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     38   72  113     21   30   42   57   62   67   75   85   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     38   72  113     21   30   36   55   62   67   75   83   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     38   72  113     20   30   36   49   61   67   75   82   93  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     38   72  113     14   30   36   42   59   67   75   79   85   90  101  109  111  112  112  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     38   72  113     21   30   36   42   52   64   74   79   80   87   91  101  110  112  112  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     38   72  113     21   30   36   42   54   67   75   79   85   90  104  110  111  112  112  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     38   71  113     21   30   36   42   58   67   75   81   88  101  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     38   71  113     21   30   36   42   51   67   75   81   93  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     38   69  113     21   30   36   42   54   67   75   84   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     38   69  113     21   30   36   42   60   67   75   85   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     38   69  113     21   30   36   42   59   67   75   83   94  102  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     38   62  113     21   30   36   42   46   64   73   79   81   99  108  110  111  112  112  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     38   57  113      3    3   30   36   38   43   47   53   66   75   79   80   87   92  108  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  66.02  (  38.79   59.28  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     26     42     50     57     64     75     81     87     94    102    108    110    111    112    112    113    113    113    113    113 
GDT PERCENT_AT  23.01  37.17  44.25  50.44  56.64  66.37  71.68  76.99  83.19  90.27  95.58  97.35  98.23  99.12  99.12 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.69   0.83   1.16   1.51   1.92   2.16   2.32   2.69   3.03   3.24   3.32   3.38   3.44   3.44   3.52   3.52   3.52   3.52   3.52
GDT RMS_ALL_AT   5.31   5.24   5.31   5.37   4.53   4.16   4.47   4.07   3.76   3.60   3.57   3.54   3.53   3.52   3.52   3.52   3.52   3.52   3.52   3.52

# Checking swapping
#   possible swapping detected:  Y    34_A      Y    34_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    56_A      E    56_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     1.253     0    0.025   0.895     4.093   79.286   73.016
LGA    C     8_A      C     8_A     1.530     0    0.040   0.071     1.950   75.000   74.286
LGA    A     9_A      A     9_A     2.366     0    0.047   0.051     2.754   64.881   64.857
LGA    S    10_A      S    10_A     1.971     0    0.038   0.146     2.102   70.833   71.508
LGA    N    11_A      N    11_A     1.686     0    0.026   0.981     5.848   75.000   56.607
LGA    P    12_A      P    12_A     1.052     0    0.021   0.064     1.155   85.952   84.014
LGA    C    13_A      C    13_A     0.757     0    0.061   0.071     1.209   85.952   87.460
LGA    L    14_A      L    14_A     1.694     0    0.024   0.735     3.410   77.143   70.179
LGA    N    15_A      N    15_A     1.923     0    0.023   0.139     2.167   70.833   71.905
LGA    Q    16_A      Q    16_A     2.756     0    0.058   1.148     5.586   60.952   49.630
LGA    G    17_A      G    17_A     1.708     0    0.059   0.059     2.161   68.810   68.810
LGA    T    18_A      T    18_A     2.541     0    0.067   1.174     4.664   62.857   59.184
LGA    C    19_A      C    19_A     1.780     0    0.080   0.114     2.186   68.810   71.587
LGA    I    20_A      I    20_A     2.427     0    0.015   0.650     3.017   66.786   62.024
LGA    D    21_A      D    21_A     2.104     0    0.072   0.085     2.965   62.857   63.869
LGA    D    22_A      D    22_A     2.314     0    0.071   0.881     5.923   68.929   52.857
LGA    V    23_A      V    23_A     2.589     0    0.612   0.550     4.069   59.048   51.429
LGA    A    24_A      A    24_A     3.973     0    0.488   0.494     5.531   51.905   45.810
LGA    G    25_A      G    25_A     1.735     0    0.173   0.173     2.682   67.143   67.143
LGA    Y    26_A      Y    26_A     1.184     0    0.008   0.125     1.319   81.429   91.429
LGA    K    27_A      K    27_A     1.694     0    0.020   0.598     3.282   72.857   65.873
LGA    C    28_A      C    28_A     1.378     0    0.023   0.030     1.793   75.000   81.746
LGA    N    29_A      N    29_A     2.198     0    0.032   1.116     5.053   66.786   61.131
LGA    C    30_A      C    30_A     1.665     0    0.035   0.057     2.164   70.833   74.365
LGA    L    31_A      L    31_A     1.876     0    0.194   1.071     3.745   70.833   67.143
LGA    L    32_A      L    32_A     1.047     0    0.058   0.259     1.234   83.690   84.821
LGA    P    33_A      P    33_A     0.497     0    0.261   0.268     1.560   90.833   89.388
LGA    Y    34_A      Y    34_A     0.715     0    0.042   0.155     3.001   85.952   76.190
LGA    T    35_A      T    35_A     1.602     0    0.087   0.102     2.635   77.143   70.748
LGA    G    36_A      G    36_A     2.401     0    0.060   0.060     2.401   68.810   68.810
LGA    A    37_A      A    37_A     1.485     0    0.073   0.082     1.865   83.810   81.619
LGA    T    38_A      T    38_A     0.779     0    0.040   0.075     1.616   88.214   85.374
LGA    C    39_A      C    39_A     0.501     0    0.040   0.051     1.439   85.952   85.952
LGA    E    40_A      E    40_A     2.187     0    0.031   1.000     7.578   64.881   44.762
LGA    V    41_A      V    41_A     2.287     0    0.062   0.094     3.197   70.952   64.014
LGA    V    42_A      V    42_A     1.753     0    0.057   0.119     2.313   68.810   68.231
LGA    L    43_A      L    43_A     1.295     0    0.295   0.310     1.905   83.810   80.476
LGA    A    44_A      A    44_A     1.685     0    0.217   0.233     1.976   75.000   74.571
LGA    P    45_A      P    45_A     2.026     0    0.042   0.116     3.110   72.976   65.170
LGA    C    46_A      C    46_A     1.033     0    0.094   0.112     2.062   83.690   78.730
LGA    A    47_A      A    47_A     0.983     0    0.573   0.528     4.674   69.762   75.810
LGA    P    48_A      P    48_A     1.155     0    0.673   0.679     4.255   64.048   70.408
LGA    S    49_A      S    49_A     1.627     0    0.289   0.639     3.413   71.071   67.857
LGA    P    50_A      P    50_A     1.969     0    0.103   0.128     2.274   70.833   71.769
LGA    C    51_A      C    51_A     0.514     0    0.023   0.056     1.635   86.071   84.603
LGA    R    52_A      R    52_A     1.608     0    0.026   0.079     4.212   77.143   60.130
LGA    N    53_A      N    53_A     2.339     0    0.022   0.100     3.324   64.762   63.929
LGA    G    54_A      G    54_A     3.141     0    0.026   0.026     3.405   53.571   53.571
LGA    G    55_A      G    55_A     2.130     0    0.012   0.012     2.420   64.762   64.762
LGA    E    56_A      E    56_A     3.303     0    0.031   1.182     4.571   51.786   47.354
LGA    C    57_A      C    57_A     2.504     0    0.057   0.117     3.403   53.571   60.000
LGA    R    58_A      R    58_A     4.262     0    0.024   1.265    12.394   38.690   20.649
LGA    Q    59_A      Q    59_A     4.462     0    0.044   1.039     5.850   30.476   41.005
LGA    S    60_A      S    60_A     6.438     0    0.037   0.063     6.924   19.286   17.937
LGA    E    61_A      E    61_A     6.671     0    0.046   0.755    10.192   16.310    8.889
LGA    D    62_A      D    62_A     6.163     0    0.496   1.180     6.861   17.262   18.393
LGA    Y    63_A      Y    63_A     5.089     0    0.147   0.271     5.234   26.190   27.937
LGA    E    64_A      E    64_A     5.052     0    0.014   0.490     6.230   26.190   25.767
LGA    S    65_A      S    65_A     5.291     0    0.082   0.653     6.055   28.810   28.254
LGA    F    66_A      F    66_A     4.317     0    0.016   0.202     4.691   34.286   41.861
LGA    S    67_A      S    67_A     4.293     0    0.086   0.659     4.874   40.238   40.397
LGA    C    68_A      C    68_A     3.119     0    0.056   0.086     3.957   46.667   51.429
LGA    V    69_A      V    69_A     4.116     0    0.029   0.040     5.336   43.452   36.803
LGA    C    70_A      C    70_A     2.681     0    0.013   0.027     3.714   50.119   55.000
LGA    P    71_A      P    71_A     3.190     0    0.054   0.085     3.190   57.262   58.367
LGA    T    72_A      T    72_A     2.932     0    0.016   0.048     3.778   59.167   54.286
LGA    G    73_A      G    73_A     1.399     0    0.043   0.043     2.021   79.524   79.524
LGA    W    74_A      W    74_A     1.190     0    0.028   0.170     2.468   75.119   77.449
LGA    Q    75_A      Q    75_A     2.871     0    0.077   0.371     5.089   57.262   46.984
LGA    G    76_A      G    76_A     4.352     0    0.046   0.046     4.352   38.690   38.690
LGA    Q    77_A      Q    77_A     4.708     0    0.024   0.235     6.233   37.381   29.101
LGA    T    78_A      T    78_A     2.490     0    0.048   0.058     3.467   65.119   59.660
LGA    C    79_A      C    79_A     1.648     0    0.044   0.056     2.184   72.976   74.365
LGA    E    80_A      E    80_A     2.664     0    0.021   0.206     5.241   57.262   46.984
LGA    V    81_A      V    81_A     3.001     0    0.060   0.085     4.065   59.167   51.497
LGA    D    82_A      D    82_A     1.789     0    0.054   0.192     2.289   68.810   74.048
LGA    I    83_A      I    83_A     1.918     0    0.100   0.097     2.562   75.000   69.940
LGA    N    84_A      N    84_A     2.060     0    0.112   0.215     3.884   68.810   59.464
LGA    E    85_A      E    85_A     0.624     0    0.089   1.300     4.686   88.214   76.825
LGA    C    86_A      C    86_A     0.907     0    0.049   0.061     1.605   83.810   81.587
LGA    V    87_A      V    87_A     2.183     0    0.105   0.920     4.431   64.881   55.850
LGA    L    88_A      L    88_A     1.991     0    0.458   0.352     6.281   72.976   52.083
LGA    S    89_A      S    89_A     1.724     0    0.368   0.707     5.344   77.619   64.444
LGA    P    90_A      P    90_A     2.606     0    0.113   0.207     3.685   53.810   55.306
LGA    C    91_A      C    91_A     3.863     0    0.101   0.124     4.150   45.119   44.524
LGA    R    92_A      R    92_A     5.771     0    0.048   1.562     8.110   20.476   19.307
LGA    H    93_A      H    93_A     7.404     0    0.057   1.138     9.635    9.524    6.143
LGA    G    94_A      G    94_A     6.959     0    0.026   0.026     6.959   13.333   13.333
LGA    A    95_A      A    95_A     6.015     0    0.029   0.033     6.274   22.976   22.667
LGA    S    96_A      S    96_A     5.135     0    0.041   0.543     7.505   27.619   23.175
LGA    C    97_A      C    97_A     3.290     0    0.009   0.035     3.921   46.667   52.778
LGA    Q    98_A      Q    98_A     3.325     0    0.023   0.222     5.186   55.476   43.492
LGA    N    99_A      N    99_A     1.829     0    0.073   0.803     2.778   68.810   64.881
LGA    T   100_A      T   100_A     1.367     0    0.083   0.100     1.783   83.690   81.497
LGA    H   101_A      H   101_A     1.705     0    0.095   0.979     3.661   75.000   69.714
LGA    G   102_A      G   102_A     1.881     0    0.019   0.019     2.218   70.833   70.833
LGA    G   103_A      G   103_A     1.941     0    0.034   0.034     1.941   75.000   75.000
LGA    Y   104_A      Y   104_A     1.831     0    0.044   0.091     3.746   68.810   61.270
LGA    R   105_A      R   105_A     3.030     0    0.049   1.510     5.848   50.119   48.485
LGA    C   106_A      C   106_A     4.736     0    0.104   0.145     6.163   26.786   28.413
LGA    H   107_A      H   107_A     6.426     0    0.043   1.115     7.592   16.310   16.857
LGA    C   108_A      C   108_A     7.457     0    0.025   0.087     8.535    6.905    7.460
LGA    Q   109_A      Q   109_A     8.514     0    0.049   0.663     9.558    3.214    4.444
LGA    A   110_A      A   110_A    10.551     0    0.020   0.020    11.276    0.119    0.095
LGA    G   111_A      G   111_A    11.291     0    0.139   0.139    11.291    0.000    0.000
LGA    Y   112_A      Y   112_A     9.628     0    0.046   0.170    10.756    0.833    0.714
LGA    S   113_A      S   113_A     8.793     0    0.080   0.685    10.307    3.452    2.540
LGA    G   114_A      G   114_A     7.717     0    0.043   0.043     8.072    9.643    9.643
LGA    R   115_A      R   115_A     6.015     0    0.050   0.793     6.700   19.524   27.922
LGA    N   116_A      N   116_A     5.779     0    0.015   0.067     6.260   18.214   21.667
LGA    C   117_A      C   117_A     7.261     0    0.054   0.079     8.042    8.810   10.317
LGA    E   118_A      E   118_A     8.205     0    0.027   1.028     9.767    3.452    7.778
LGA    T   119_A      T   119_A    11.309     0    0.400   1.221    13.515    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):     3.517          3.502                  3.823           55.347   52.944

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0     87    2.32    66.150    67.878     3.588

LGA_LOCAL      RMSD:   2.325  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.067  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   3.517  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.369412 * X  +  -0.549065 * Y  +  -0.749708 * Z  + -41.373779
  Y_new =  -0.595028 * X  +  -0.759453 * Y  +   0.263007 * Z  +  58.776993
  Z_new =  -0.713776 * X  +   0.348940 * Y  +  -0.607261 * Z  +  20.674288 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.015200  0.794875  2.620049   [DEG:  -58.1667   45.5430  150.1178 ]
ZXZ: -1.908194  2.223404 -1.116097   [DEG: -109.3315  127.3917  -63.9476 ]
 
# END of job
