
#######################################################
#                                                     #
#                        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       4.05     4.05
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53      35_A - 87_A        1.98     6.23
  LCS_AVERAGE:     42.67

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    42      43_A - 84_A        1.00     7.61
  LCS_AVERAGE:     33.71

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     35   46  113      6   30   37   38   40   42   45   50   78   90   98  106  108  110  111  112  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     35   46  113     14   30   37   38   40   42   45   51   82   91   98  106  108  110  111  112  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     35   46  113     14   30   37   38   40   42   45   49   55   74   93   98  107  109  111  112  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     35   46  113      4   25   37   38   40   41   44   48   50   56   60   68  101  105  110  112  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     35   46  113      3   30   37   38   40   42   59   72   83   91   98  106  108  110  111  112  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     35   46  113     17   30   37   38   40   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     35   46  113     17   30   37   38   40   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     35   46  113     17   30   37   38   40   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     35   46  113     17   30   37   38   40   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     35   46  113     16   30   37   38   40   42   62   72   84   91   98  106  108  110  111  112  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     35   46  113     17   30   37   38   40   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     35   46  113     17   30   37   38   40   52   62   72   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     35   46  113     17   30   37   38   40   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     35   46  113     17   30   37   38   40   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     35   46  113     16   30   37   38   42   53   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     35   46  113     17   32   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     35   46  113     13   30   37   44   50   56   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     35   46  113      3    5    9    9   32   37   50   55   66   72   79   95  100  110  111  112  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     35   46  113     12   30   37   38   41   49   57   72   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     35   46  113     17   30   37   42   49   56   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     35   46  113     17   30   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     35   46  113     17   30   37   38   49   56   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     35   46  113     17   30   37   38   40   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     35   46  113     17   30   37   38   40   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     35   46  113     17   30   37   38   40   42   62   72   83   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     35   46  113      4   22   37   38   40   42   45   72   83   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     35   46  113     13   30   37   38   40   41   45   54   57   90   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     35   46  113     17   30   37   38   40   53   63   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     35   53  113     17   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     35   53  113     17   30   37   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     35   53  113     10   30   37   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     35   53  113     17   30   37   38   40   54   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     35   53  113     17   30   37   38   49   56   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     35   53  113     17   30   37   38   40   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     35   53  113     13   30   37   38   44   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     21   53  113      8   30   37   38   49   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     42   53  113     11   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     42   53  113      7   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     42   53  113     27   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     42   53  113     27   34   41   44   50   57   65   70   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     42   53  113     27   34   41   44   50   57   65   69   77   89   99  105  108  110  111  112  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     42   53  113     27   34   41   44   50   57   65   69   77   89   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     42   53  113     11   34   41   44   50   57   65   69   78   89   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     42   53  113     21   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     42   53  113     27   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     42   53  113     27   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     42   53  113     27   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     42   53  113     27   34   41   44   50   57   65   69   78   89   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     42   53  113     27   34   41   44   50   57   65   69   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     42   53  113     27   34   41   44   50   57   65   69   77   89   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     42   53  113     27   34   41   44   50   57   65   69   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     42   53  113     27   34   41   44   50   57   65   69   77   89   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     42   53  113      4   20   38   44   49   56   64   67   76   87   92  103  108  110  111  112  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     42   53  113      6   22   39   44   49   56   64   67   75   87   91  102  106  110  111  112  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     42   53  113      4   11   21   43   49   56   60   65   74   85   89   94  104  107  111  112  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     42   53  113      4    4    4   31   49   57   65   69   81   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     42   53  113      3    3   21   43   49   57   65   70   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     42   53  113      4   32   39   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     42   53  113     27   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     42   53  113     27   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     42   53  113     27   34   41   44   50   57   65   70   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     42   53  113     27   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     42   53  113     27   34   41   44   50   57   65   69   77   89   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     42   53  113     27   34   41   44   50   57   65   69   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     42   53  113     27   34   41   44   50   57   65   69   77   89   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     42   53  113     27   34   41   44   50   56   65   69   77   89   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     42   53  113     27   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     42   53  113     27   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     42   53  113     27   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     42   53  113     27   34   41   44   50   57   65   72   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     42   53  113     27   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     42   53  113     27   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     42   53  113     27   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     42   53  113     26   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     42   53  113     26   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     42   53  113      6   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     42   53  113     14   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     42   53  113     13   33   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     37   53  113      6   26   40   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     37   53  113     18   30   36   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     37   53  113      6   30   34   44   50   57   65   69   81   89   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     37   51  113      5   12   32   42   50   57   65   69   80   89   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     37   51  113     11   30   34   36   46   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     37   51  113     18   30   34   36   44   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     37   51  113     18   30   34   36   44   55   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     37   41  113     18   30   34   36   40   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     37   41  113      8   30   34   36   40   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     37   41  113      6   30   34   36   39   48   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     37   41  113     18   30   34   36   44   55   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     37   41  113     13   30   34   36   49   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     37   41  113     18   30   34   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     37   41  113     18   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     37   41  113     24   34   41   44   50   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     37   41  113     16   30   34   42   45   50   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     37   41  113      4   28   34   36   39   42   45   72   83   90   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     37   41  113      5   22   33   36   39   42   45   50   82   90   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     37   41  113     14   30   34   36   39   49   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     37   41  113      7   30   34   36   40   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     37   41  113     18   30   34   36   46   56   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     37   41  113     18   30   34   36   49   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     37   41  113     18   30   34   37   49   57   65   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     37   41  113     18   30   34   36   44   55   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     37   41  113     18   30   34   36   39   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     37   41  113      3   25   34   36   39   43   55   63   80   90   97  106  108  110  111  112  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     37   41  113     16   30   34   36   39   43   55   69   83   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     37   41  113     18   30   34   36   39   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     37   41  113     18   30   34   36   39   50   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     37   41  113     18   30   34   36   39   50   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     37   41  113     17   30   34   36   39   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     37   41  113     16   30   34   36   40   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     37   41  113     18   30   34   36   40   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     37   41  113     18   30   34   36   40   52   62   73   84   91   99  106  108  110  111  112  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     37   41  113      6   30   34   36   39   42   44   49   82   91   97  106  108  110  111  112  113  113  113  113 
LCS_AVERAGE  LCS_A:  58.80  (  33.71   42.67  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     34     41     44     50     57     65     73     84     91     99    106    108    110    111    112    113    113    113    113 
GDT PERCENT_AT  23.89  30.09  36.28  38.94  44.25  50.44  57.52  64.60  74.34  80.53  87.61  93.81  95.58  97.35  98.23  99.12 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.44   0.76   0.96   1.40   1.96   2.24   2.72   3.03   3.20   3.52   3.70   3.77   3.88   3.93   3.98   4.05   4.05   4.05   4.05
GDT RMS_ALL_AT   7.57   7.43   7.08   7.09   6.32   5.73   5.41   4.11   4.07   4.10   4.12   4.06   4.06   4.05   4.05   4.05   4.05   4.05   4.05   4.05

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  Y    26_A      Y    26_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:  D    62_A      D    62_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  Y   104_A      Y   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     5.476     0    0.062   0.964     7.315   25.000   19.577
LGA    C     8_A      C     8_A     5.188     0    0.030   0.101     6.133   22.738   26.587
LGA    A     9_A      A     9_A     6.709     0    0.160   0.161     8.374   11.310   11.714
LGA    S    10_A      S    10_A     7.857     0    0.597   0.813     9.271   13.929   10.000
LGA    N    11_A      N    11_A     4.748     0    0.332   0.957     9.465   30.714   18.631
LGA    P    12_A      P    12_A     3.361     0    0.043   0.126     3.691   51.905   52.109
LGA    C    13_A      C    13_A     2.322     0    0.031   0.041     3.121   57.262   59.762
LGA    L    14_A      L    14_A     2.579     0    0.045   0.929     3.914   59.048   58.274
LGA    N    15_A      N    15_A     3.445     0    0.043   1.126     6.549   46.667   39.107
LGA    Q    16_A      Q    16_A     4.126     0    0.093   0.941     9.010   38.810   24.974
LGA    G    17_A      G    17_A     3.311     0    0.061   0.061     3.690   46.667   46.667
LGA    T    18_A      T    18_A     3.894     0    0.034   1.107     5.987   48.452   44.218
LGA    C    19_A      C    19_A     2.847     0    0.038   0.682     4.661   53.571   50.476
LGA    I    20_A      I    20_A     2.449     0    0.045   0.674     3.136   64.881   63.036
LGA    D    21_A      D    21_A     2.673     0    0.078   0.761     3.236   62.976   63.036
LGA    D    22_A      D    22_A     2.034     0    0.073   0.874     4.332   54.167   53.214
LGA    V    23_A      V    23_A     4.499     0    0.621   0.991     5.223   37.619   35.918
LGA    A    24_A      A    24_A     8.355     0    0.477   0.497     9.505   12.381   10.000
LGA    G    25_A      G    25_A     4.509     0    0.051   0.051     6.174   29.524   29.524
LGA    Y    26_A      Y    26_A     1.966     0    0.039   0.117     2.944   72.976   64.960
LGA    K    27_A      K    27_A     0.333     0    0.027   1.076     4.394   92.857   78.466
LGA    C    28_A      C    28_A     1.162     0    0.020   0.051     1.646   79.405   81.587
LGA    N    29_A      N    29_A     2.865     0    0.088   1.131     4.908   55.476   53.274
LGA    C    30_A      C    30_A     2.963     0    0.055   0.305     4.225   46.905   56.984
LGA    L    31_A      L    31_A     4.414     0    0.225   1.005     6.170   33.333   31.310
LGA    L    32_A      L    32_A     4.428     0    0.044   1.111     5.529   30.476   39.405
LGA    P    33_A      P    33_A     5.217     0    0.333   0.561     8.863   35.952   23.537
LGA    Y    34_A      Y    34_A     3.615     0    0.098   0.132     4.678   40.357   42.063
LGA    T    35_A      T    35_A     3.091     0    0.037   0.051     3.902   59.405   52.517
LGA    G    36_A      G    36_A     2.072     0    0.083   0.083     2.503   71.190   71.190
LGA    A    37_A      A    37_A     1.025     0    0.032   0.041     1.850   85.952   83.333
LGA    T    38_A      T    38_A     0.420     0    0.174   0.993     3.150   90.595   81.088
LGA    C    39_A      C    39_A     1.448     0    0.029   0.074     2.159   81.548   77.302
LGA    E    40_A      E    40_A     0.395     0    0.131   1.085     2.943   97.619   80.741
LGA    V    41_A      V    41_A     1.322     0    0.061   1.065     4.162   75.119   71.565
LGA    V    42_A      V    42_A     1.805     0    0.040   0.077     2.415   70.952   73.061
LGA    L    43_A      L    43_A     4.037     0    0.109   0.866     5.841   40.357   34.702
LGA    A    44_A      A    44_A     4.348     0    0.180   0.190     4.674   37.143   36.000
LGA    P    45_A      P    45_A     2.894     0    0.068   0.122     3.595   50.119   51.224
LGA    C    46_A      C    46_A     4.874     0    0.086   0.138     6.272   26.786   25.000
LGA    A    47_A      A    47_A     6.927     0    0.083   0.080     7.788   12.976   12.381
LGA    P    48_A      P    48_A     6.509     0    0.696   0.591     6.509   17.262   17.211
LGA    S    49_A      S    49_A     6.267     0    0.153   0.159     7.560   19.524   16.429
LGA    P    50_A      P    50_A     3.380     0    0.093   0.108     4.292   50.357   53.469
LGA    C    51_A      C    51_A     2.807     0    0.048   0.751     3.782   51.786   51.270
LGA    R    52_A      R    52_A     3.408     0    0.051   1.231     9.525   50.000   32.511
LGA    N    53_A      N    53_A     4.171     0    0.029   0.118     4.934   34.286   44.048
LGA    G    54_A      G    54_A     6.575     0    0.087   0.087     6.930   16.310   16.310
LGA    G    55_A      G    55_A     5.369     0    0.081   0.081     6.043   22.738   22.738
LGA    E    56_A      E    56_A     6.986     0    0.065   0.987    10.168   16.190    8.201
LGA    C    57_A      C    57_A     5.281     0    0.053   0.697     7.201   17.619   20.556
LGA    R    58_A      R    58_A     6.895     0    0.048   1.479    12.849   16.310    7.273
LGA    Q    59_A      Q    59_A     7.487     0    0.119   1.296     8.808    7.500   10.000
LGA    S    60_A      S    60_A     7.797     0    0.070   0.116     7.797    8.571   10.952
LGA    E    61_A      E    61_A     9.040     0    0.569   1.121    15.512    8.929    3.968
LGA    D    62_A      D    62_A     5.398     0    0.394   1.046     7.021   24.762   29.881
LGA    Y    63_A      Y    63_A     4.648     0    0.253   1.502    15.762   42.500   17.183
LGA    E    64_A      E    64_A     1.322     0    0.356   0.774     2.796   69.286   70.423
LGA    S    65_A      S    65_A     2.248     0    0.090   0.654     4.285   61.190   55.317
LGA    F    66_A      F    66_A     3.123     0    0.056   0.322     3.649   48.452   66.623
LGA    S    67_A      S    67_A     4.641     0    0.067   0.584     5.826   34.286   31.667
LGA    C    68_A      C    68_A     4.432     0    0.052   0.739     5.256   31.667   34.524
LGA    V    69_A      V    69_A     6.372     0    0.100   1.042     9.664   18.214   12.925
LGA    C    70_A      C    70_A     5.263     0    0.055   0.076     7.109   18.690   24.921
LGA    P    71_A      P    71_A     6.589     0    0.085   0.335     6.589   19.524   19.252
LGA    T    72_A      T    72_A     6.657     0    0.049   1.076     9.198   18.571   12.653
LGA    G    73_A      G    73_A     4.561     0    0.049   0.049     5.374   37.738   37.738
LGA    W    74_A      W    74_A     3.111     0    0.026   1.113     5.651   43.452   45.442
LGA    Q    75_A      Q    75_A     3.979     0    0.020   1.056     8.255   48.452   33.333
LGA    G    76_A      G    76_A     4.101     0    0.056   0.056     4.299   40.238   40.238
LGA    Q    77_A      Q    77_A     3.499     0    0.071   0.703     5.786   55.714   49.524
LGA    T    78_A      T    78_A     0.887     0    0.140   0.121     2.461   81.548   75.510
LGA    C    79_A      C    79_A     1.472     0    0.049   0.067     2.757   81.429   74.603
LGA    E    80_A      E    80_A     2.248     0    0.164   1.157     4.445   66.786   52.381
LGA    V    81_A      V    81_A     2.451     0    0.033   0.063     4.046   64.762   54.762
LGA    D    82_A      D    82_A     2.167     0    0.140   0.627     3.992   60.952   59.226
LGA    I    83_A      I    83_A     3.609     0    0.022   0.106     5.101   50.119   43.036
LGA    N    84_A      N    84_A     3.497     0    0.060   0.152     4.449   43.452   44.226
LGA    E    85_A      E    85_A     3.870     0    0.064   0.224     4.228   43.452   46.402
LGA    C    86_A      C    86_A     3.589     0    0.106   0.685     4.729   38.810   45.000
LGA    V    87_A      V    87_A     5.300     0    0.024   0.083     6.276   25.119   22.925
LGA    L    88_A      L    88_A     5.770     0    0.539   1.118     9.913   32.500   18.512
LGA    S    89_A      S    89_A     2.704     0    0.346   0.662     4.118   55.952   50.714
LGA    P    90_A      P    90_A     2.085     0    0.090   0.190     2.339   73.095   70.680
LGA    C    91_A      C    91_A     0.574     0    0.068   0.176     1.061   88.214   87.460
LGA    R    92_A      R    92_A     0.980     0    0.039   1.576     3.417   85.952   75.195
LGA    H    93_A      H    93_A     2.484     0    0.025   0.150     3.322   61.190   56.619
LGA    G    94_A      G    94_A     3.270     0    0.187   0.187     3.270   57.262   57.262
LGA    A    95_A      A    95_A     1.713     0    0.057   0.059     2.175   70.833   72.952
LGA    S    96_A      S    96_A     1.341     0    0.053   0.082     1.464   85.952   84.444
LGA    C    97_A      C    97_A     1.178     0    0.021   0.286     1.869   79.286   80.000
LGA    Q    98_A      Q    98_A     1.612     0    0.034   1.114     3.084   75.000   71.323
LGA    N    99_A      N    99_A     2.661     0    0.092   0.464     4.829   57.262   50.476
LGA    T   100_A      T   100_A     3.172     0    0.102   1.110     4.906   50.119   50.544
LGA    H   101_A      H   101_A     4.708     0    0.066   1.221     6.066   32.857   32.810
LGA    G   102_A      G   102_A     4.742     0    0.190   0.190     4.742   34.286   34.286
LGA    G   103_A      G   103_A     3.469     0    0.112   0.112     3.795   48.333   48.333
LGA    Y   104_A      Y   104_A     2.751     0    0.067   1.134     5.230   60.952   57.381
LGA    R   105_A      R   105_A     0.996     0    0.031   1.349     8.286   86.071   58.918
LGA    C   106_A      C   106_A     0.427     0    0.042   0.635     2.644   90.595   85.000
LGA    H   107_A      H   107_A     1.192     0    0.045   0.380     2.319   79.405   79.143
LGA    C   108_A      C   108_A     2.080     0    0.041   0.068     2.674   64.881   64.841
LGA    Q   109_A      Q   109_A     3.227     0    0.051   0.696     3.989   48.452   49.418
LGA    A   110_A      A   110_A     5.260     0    0.271   0.366     6.011   35.952   32.190
LGA    G   111_A      G   111_A     4.645     0    0.344   0.344     5.184   32.976   32.976
LGA    Y   112_A      Y   112_A     3.608     0    0.060   0.136     4.256   46.667   45.595
LGA    S   113_A      S   113_A     3.488     0    0.034   0.137     3.961   50.000   47.778
LGA    G   114_A      G   114_A     3.321     0    0.067   0.067     3.365   53.571   53.571
LGA    R   115_A      R   115_A     2.810     0    0.058   1.405     9.595   59.167   35.758
LGA    N   116_A      N   116_A     2.175     0    0.167   0.318     3.863   70.952   59.702
LGA    C   117_A      C   117_A     2.185     0    0.056   0.060     2.239   64.762   67.460
LGA    E   118_A      E   118_A     2.497     0    0.085   0.932     4.112   55.714   53.545
LGA    T   119_A      T   119_A     4.955     0    0.213   0.297     7.212   33.095   25.850

# 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):     4.045          3.995                  4.536           48.522   45.521

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0     73    2.72    58.186    57.059     2.590

LGA_LOCAL      RMSD:   2.719  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.110  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   4.045  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.746545 * X  +   0.279501 * Y  +  -0.603779 * Z  +  56.376686
  Y_new =  -0.202824 * X  +   0.959892 * Y  +   0.193570 * Z  +  23.352955
  Z_new =   0.633666 * X  +  -0.022048 * Y  +   0.773292 * Z  +  26.849394 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.265280 -0.686283 -0.028504   [DEG:  -15.1994  -39.3211   -1.6331 ]
ZXZ: -1.881041  0.686779  1.605576   [DEG: -107.7757   39.3495   91.9927 ]
 
# END of job
