
#######################################################
#                                                     #
#                        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       4.24     4.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    51      39_A - 89_A        1.98     6.12
  LONGEST_CONTINUOUS_SEGMENT:    51      40_A - 90_A        1.97     6.14
  LONGEST_CONTINUOUS_SEGMENT:    51      41_A - 91_A        1.82     6.33
  LONGEST_CONTINUOUS_SEGMENT:    51      42_A - 92_A        1.90     6.43
  LCS_AVERAGE:     41.55

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    44      43_A - 86_A        0.98     7.18
  LCS_AVERAGE:     35.44

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     38   45  113     23   32   37   38   40   41   44   47   72   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     38   45  113     23   32   37   38   40   41   44   47   76   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     38   45  113     23   32   37   38   40   41   44   47   51   58   64   94  103  110  111  112  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     38   45  113     22   32   37   38   40   41   44   47   50   54   63   68   74  109  111  112  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     38   45  113     23   32   37   38   40   41   44   47   52   86   93  100  107  110  111  112  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     38   45  113     23   32   37   38   40   41   54   65   77   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     38   45  113     23   32   37   38   40   45   55   67   78   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     38   45  113     23   32   37   38   40   45   54   67   77   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     38   45  113     23   32   37   38   40   41   44   47   76   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     38   45  113     23   32   37   38   40   41   44   47   50   54   63   99  107  110  111  112  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     38   45  113     23   32   37   38   40   41   44   64   77   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     38   45  113     23   32   37   38   40   41   44   47   74   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     38   45  113     23   32   37   38   40   45   54   67   78   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     38   45  113     23   32   37   38   40   45   57   68   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     38   45  113     17   32   37   38   40   45   57   68   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     38   45  113     18   32   37   45   50   57   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     38   45  113     11   32   37   41   50   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     38   45  113      4    5    6    7   23   38   45   52   58   70   77   91   95  101  110  112  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     38   45  113     10   32   37   38   40   41   48   66   77   87   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     38   45  113     23   32   37   38   45   54   64   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     38   45  113     23   32   37   44   50   57   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     38   45  113     23   32   37   38   45   55   64   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     38   45  113     23   32   37   38   40   41   54   67   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     38   45  113     23   32   37   38   40   41   48   67   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     38   45  113     23   32   37   38   40   41   44   47   50   54   63   99  107  110  111  112  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     38   45  113      3   31   37   38   40   41   44   47   50   54   63   99  107  110  111  112  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     38   45  113     16   32   37   38   40   41   44   46   50   65   68   80  103  110  111  112  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     38   45  113     18   32   37   38   40   46   56   68   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     38   45  113     23   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     38   45  113     23   32   37   44   53   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     38   45  113     23   32   37   38   49   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     38   49  113     23   32   37   38   40   46   59   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     38   51  113     23   32   37   38   42   55   64   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     38   51  113     23   32   37   38   40   46   58   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     38   51  113     18   32   37   38   42   56   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     38   51  113     18   32   37   38   50   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     44   51  113     22   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     44   51  113     17   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     44   51  113     26   36   44   48   54   58   65   69   78   87   92  100  107  110  111  112  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     44   51  113     18   36   44   48   54   58   65   70   79   87   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     44   51  113     26   36   44   48   54   58   65   72   79   87   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     44   51  113     26   36   44   48   54   58   65   72   79   87   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     44   51  113     26   36   44   48   54   58   65   70   78   87   92  100  107  110  111  112  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     44   51  113     26   36   44   48   54   58   65   70   78   87   92   99  107  110  111  112  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     44   51  113     22   36   44   48   54   58   65   70   78   87   92   99  107  110  111  112  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     44   51  113      4   36   44   48   54   58   65   70   78   87   92   99  107  110  111  112  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     44   51  113      4   36   44   48   54   58   65   70   76   87   89   96  100  108  110  112  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     44   51  113      3   10   33   45   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     44   51  113      4   15   39   45   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     44   51  113      4   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     44   51  113     22   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     44   51  113     22   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     44   51  113     26   36   44   48   54   58   65   70   78   87   94  100  107  110  111  112  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     44   51  113     14   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     44   51  113     22   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     44   51  113     26   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     44   51  113     22   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     44   51  113      5   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     44   51  113     11   36   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     44   51  113      9   35   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     44   51  113      9   34   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     44   51  113     22   30   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     37   51  113      9   30   42   48   54   58   65   72   79   87   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     37   51  113      9   21   41   48   54   58   65   72   79   87   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     37   51  113      3   30   35   42   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     37   51  113     22   30   35   36   50   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     37   51  113     22   30   35   36   49   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     37   51  113     22   30   35   36   38   54   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     37   41  113     22   30   35   36   38   46   58   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     37   41  113     22   30   35   36   38   48   62   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     37   41  113     22   30   35   36   49   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     37   41  113     22   30   35   44   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     37   41  113     22   30   41   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     37   41  113     22   35   44   48   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     37   41  113     26   36   44   48   52   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     37   41  113     21   30   37   43   46   50   58   68   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     37   41  113     14   30   35   36   38   42   45   64   76   87   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     37   41  113     10   24   35   36   38   42   45   64   76   87   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     37   41  113     14   24   35   36   38   46   55   67   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     37   41  113     21   30   35   36   49   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     37   41  113     21   30   35   40   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     37   41  113     22   30   35   44   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     37   41  113     22   30   35   45   54   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     37   41  113     22   30   35   36   49   58   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     37   41  113     22   30   35   36   41   57   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     37   41  113     12   30   35   36   38   44   58   68   77   87   95  100  106  110  111  112  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     37   41  113     22   30   35   36   38   44   56   66   76   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     37   41  113     22   30   35   36   38   44   58   67   77   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     37   41  113     22   30   35   36   38   44   58   68   77   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     37   41  113     22   30   35   36   38   43   57   67   78   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     37   41  113     22   30   35   36   38   44   58   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     37   41  113     22   30   35   36   38   52   65   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     37   41  113     22   30   35   36   38   48   62   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     37   41  113     22   30   35   36   38   45   58   72   79   88   95  100  107  110  111  112  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     37   41  113     10   30   35   36   38   41   44   50   76   88   95  100  107  110  111  112  113  113  113  113 
LCS_AVERAGE  LCS_A:  58.99  (  35.44   41.55  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     36     44     48     54     58     65     72     79     88     95    100    107    110    111    112    113    113    113    113 
GDT PERCENT_AT  23.01  31.86  38.94  42.48  47.79  51.33  57.52  63.72  69.91  77.88  84.07  88.50  94.69  97.35  98.23  99.12 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    6.21   0.52   0.76   1.04   1.49   1.67   2.11   2.74   3.01   3.35   3.54   3.70   3.97   4.07   4.12   4.19   4.24   4.24   4.24   4.24
GDT RMS_ALL_AT   7.77   7.58   7.39   7.03   6.72   6.60   5.96   4.79   4.57   4.25   4.25   4.27   4.25   4.24   4.24   4.24   4.24   4.24   4.24   4.24

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  Y    26_A      Y    26_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:  E    80_A      E    80_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     8.547     0    0.060   1.093     9.042    2.857    4.709
LGA    C     8_A      C     8_A     8.978     0    0.021   0.138    10.342    1.429    2.619
LGA    A     9_A      A     9_A    11.898     0    0.172   0.172    13.679    0.000    0.000
LGA    S    10_A      S    10_A    12.248     0    0.686   0.592    12.248    0.000    0.000
LGA    N    11_A      N    11_A    10.372     0    0.211   0.913    15.063    0.119    0.060
LGA    P    12_A      P    12_A     8.124     0    0.081   0.082     8.702    6.905    7.075
LGA    C    13_A      C    13_A     6.665     0    0.066   0.071     8.112    9.524   12.143
LGA    L    14_A      L    14_A     7.676     0    0.039   1.011    10.175    8.571    6.726
LGA    N    15_A      N    15_A     8.421     0    0.030   0.174     8.939    3.810    7.440
LGA    Q    16_A      Q    16_A    10.525     0    0.047   0.482    15.858    0.238    0.106
LGA    G    17_A      G    17_A     8.033     0    0.065   0.065     9.336    2.976    2.976
LGA    T    18_A      T    18_A     9.001     0    0.045   1.119    10.308    5.357    3.333
LGA    C    19_A      C    19_A     7.278     0    0.031   0.667     8.230    8.571    8.175
LGA    I    20_A      I    20_A     6.547     0    0.048   0.665     7.893   19.881   16.369
LGA    D    21_A      D    21_A     5.913     0    0.039   0.776     7.866   25.357   17.321
LGA    D    22_A      D    22_A     2.310     0    0.052   0.461     3.984   52.143   60.774
LGA    V    23_A      V    23_A     2.834     0    0.624   0.974     3.902   55.833   60.816
LGA    A    24_A      A    24_A     7.367     0    0.539   0.559     8.505   17.500   14.571
LGA    G    25_A      G    25_A     4.812     0    0.066   0.066     5.884   30.357   30.357
LGA    Y    26_A      Y    26_A     3.601     0    0.055   0.166     5.929   52.143   34.127
LGA    K    27_A      K    27_A     2.703     0    0.047   1.243     4.968   45.476   45.450
LGA    C    28_A      C    28_A     4.131     0    0.019   0.061     4.440   41.905   41.349
LGA    N    29_A      N    29_A     6.329     0    0.037   1.096     7.877   15.476   12.798
LGA    C    30_A      C    30_A     6.361     0    0.036   0.104     7.937   12.857   19.127
LGA    L    31_A      L    31_A     8.817     0    0.261   1.090    10.651    3.571    1.905
LGA    L    32_A      L    32_A     8.682     0    0.066   0.864     8.965    2.857    5.179
LGA    P    33_A      P    33_A     7.745     0    0.309   0.465    11.556   16.786   10.272
LGA    Y    34_A      Y    34_A     5.094     0    0.097   0.168     8.637   24.048   15.952
LGA    T    35_A      T    35_A     3.035     0    0.038   0.051     4.397   65.833   56.259
LGA    G    36_A      G    36_A     1.430     0    0.065   0.065     1.777   83.810   83.810
LGA    A    37_A      A    37_A     1.814     0    0.034   0.043     3.177   68.810   65.048
LGA    T    38_A      T    38_A     3.571     0    0.167   0.214     5.165   42.500   37.007
LGA    C    39_A      C    39_A     3.254     0    0.044   0.067     4.965   46.905   41.746
LGA    E    40_A      E    40_A     3.960     0    0.134   0.512     4.520   42.024   42.910
LGA    V    41_A      V    41_A     1.650     0    0.029   1.119     3.082   72.976   67.415
LGA    V    42_A      V    42_A     1.906     0    0.087   1.115     3.394   81.548   69.048
LGA    L    43_A      L    43_A     3.252     0    0.109   1.097     7.155   52.024   42.262
LGA    A    44_A      A    44_A     2.969     0    0.190   0.196     3.272   51.786   52.857
LGA    P    45_A      P    45_A     2.684     0    0.038   0.309     3.144   57.143   56.122
LGA    C    46_A      C    46_A     3.312     0    0.085   0.167     4.029   45.119   44.524
LGA    A    47_A      A    47_A     4.579     0    0.035   0.041     5.044   34.524   33.905
LGA    P    48_A      P    48_A     3.999     0    0.055   0.178     4.010   41.786   43.401
LGA    S    49_A      S    49_A     3.638     0    0.099   0.097     4.967   48.452   43.730
LGA    P    50_A      P    50_A     2.052     0    0.061   0.062     2.729   69.048   68.435
LGA    C    51_A      C    51_A     1.664     0    0.052   0.102     2.355   70.833   68.810
LGA    R    52_A      R    52_A     1.670     0    0.041   1.218     5.106   72.857   63.896
LGA    N    53_A      N    53_A     1.870     0    0.029   0.268     2.585   66.905   76.548
LGA    G    54_A      G    54_A     3.594     0    0.093   0.093     3.854   46.786   46.786
LGA    G    55_A      G    55_A     3.299     0    0.071   0.071     3.687   46.667   46.667
LGA    E    56_A      E    56_A     4.445     0    0.093   1.205     5.792   40.238   39.101
LGA    C    57_A      C    57_A     3.371     0    0.050   0.683     4.732   40.476   42.698
LGA    R    58_A      R    58_A     4.594     0    0.078   1.049     6.068   35.833   31.775
LGA    Q    59_A      Q    59_A     4.778     0    0.072   1.363     5.385   30.119   40.899
LGA    S    60_A      S    60_A     4.520     0    0.072   0.603     4.593   34.286   38.413
LGA    E    61_A      E    61_A     5.179     0    0.079   0.718    10.019   34.762   18.995
LGA    D    62_A      D    62_A     2.029     0    0.195   0.903     4.641   73.452   57.738
LGA    Y    63_A      Y    63_A     1.374     0    0.651   0.458     6.019   75.357   54.603
LGA    E    64_A      E    64_A     1.541     0    0.160   1.034     4.342   79.643   65.238
LGA    S    65_A      S    65_A     1.059     0    0.043   0.149     2.553   75.119   71.746
LGA    F    66_A      F    66_A     2.224     0    0.044   0.106     2.494   66.786   79.610
LGA    S    67_A      S    67_A     3.226     0    0.084   0.155     4.658   50.000   44.762
LGA    C    68_A      C    68_A     3.025     0    0.028   0.046     3.550   50.119   56.349
LGA    V    69_A      V    69_A     4.243     0    0.090   0.097     5.281   41.786   35.850
LGA    C    70_A      C    70_A     3.425     0    0.058   0.077     4.296   43.452   46.825
LGA    P    71_A      P    71_A     3.593     0    0.081   0.333     3.593   48.333   48.095
LGA    T    72_A      T    72_A     3.566     0    0.068   1.089     6.083   48.452   41.633
LGA    G    73_A      G    73_A     2.892     0    0.057   0.057     3.151   57.262   57.262
LGA    W    74_A      W    74_A     2.178     0    0.025   1.110     6.609   59.048   56.395
LGA    Q    75_A      Q    75_A     2.704     0    0.025   0.345     4.714   64.881   53.069
LGA    G    76_A      G    76_A     2.414     0    0.067   0.067     2.711   62.857   62.857
LGA    Q    77_A      Q    77_A     2.049     0    0.062   1.110     3.044   68.810   66.720
LGA    T    78_A      T    78_A     0.563     0    0.140   0.130     1.395   90.476   87.891
LGA    C    79_A      C    79_A     1.233     0    0.053   0.055     2.118   85.952   80.238
LGA    E    80_A      E    80_A     0.899     0    0.157   0.936     2.498   85.952   79.683
LGA    V    81_A      V    81_A     1.736     0    0.044   1.091     4.500   72.976   66.667
LGA    D    82_A      D    82_A     2.397     0    0.111   0.589     4.427   62.857   56.607
LGA    I    83_A      I    83_A     2.477     0    0.022   0.091     2.658   64.762   62.857
LGA    N    84_A      N    84_A     2.442     0    0.040   0.178     2.848   60.952   60.000
LGA    E    85_A      E    85_A     2.561     0    0.055   0.302     2.615   59.048   60.529
LGA    C    86_A      C    86_A     2.452     0    0.079   0.664     2.918   59.048   63.730
LGA    V    87_A      V    87_A     3.148     0    0.027   0.097     3.721   51.786   49.116
LGA    L    88_A      L    88_A     2.952     0    0.536   1.463     7.672   61.190   43.512
LGA    S    89_A      S    89_A     1.141     0    0.388   0.709     4.581   81.429   69.048
LGA    P    90_A      P    90_A     1.180     0    0.129   0.137     1.975   77.143   78.980
LGA    C    91_A      C    91_A     1.693     0    0.042   0.099     2.028   72.976   74.365
LGA    R    92_A      R    92_A     3.105     0    0.027   1.417     4.045   51.786   53.680
LGA    H    93_A      H    93_A     4.479     0    0.057   0.252     6.856   38.690   26.762
LGA    G    94_A      G    94_A     3.892     0    0.119   0.119     3.978   48.452   48.452
LGA    A    95_A      A    95_A     2.214     0    0.094   0.100     2.792   64.881   64.857
LGA    S    96_A      S    96_A     0.999     0    0.090   0.575     2.912   92.976   85.079
LGA    C    97_A      C    97_A     0.774     0    0.021   0.238     1.484   85.952   87.460
LGA    Q    98_A      Q    98_A     1.810     0    0.047   1.271     4.261   70.952   62.804
LGA    N    99_A      N    99_A     3.063     0    0.100   0.420     5.220   46.905   43.810
LGA    T   100_A      T   100_A     4.467     0    0.090   1.117     6.207   37.262   34.422
LGA    H   101_A      H   101_A     6.301     0    0.079   1.105     7.225   17.262   15.714
LGA    G   102_A      G   102_A     6.190     0    0.180   0.180     6.190   19.286   19.286
LGA    G   103_A      G   103_A     4.766     0    0.078   0.078     5.163   34.524   34.524
LGA    Y   104_A      Y   104_A     3.084     0    0.047   0.145     3.788   50.119   52.421
LGA    R   105_A      R   105_A     2.299     0    0.063   0.948     3.011   70.952   64.286
LGA    C   106_A      C   106_A     1.294     0    0.096   0.123     1.826   79.286   77.143
LGA    H   107_A      H   107_A     1.351     0    0.082   1.108     6.501   77.143   54.524
LGA    C   108_A      C   108_A     2.724     0    0.034   0.061     3.407   59.048   56.032
LGA    Q   109_A      Q   109_A     3.563     0    0.027   0.838     4.907   40.476   43.704
LGA    A   110_A      A   110_A     5.504     0    0.271   0.379     6.252   33.333   30.095
LGA    G   111_A      G   111_A     5.894     0    0.156   0.156     6.174   24.048   24.048
LGA    Y   112_A      Y   112_A     5.386     0    0.023   0.273     7.036   26.310   23.016
LGA    S   113_A      S   113_A     5.153     0    0.030   0.661     5.609   26.190   27.222
LGA    G   114_A      G   114_A     5.115     0    0.051   0.051     5.115   30.238   30.238
LGA    R   115_A      R   115_A     4.293     0    0.056   1.242    12.623   38.810   19.394
LGA    N   116_A      N   116_A     3.380     0    0.061   0.087     3.905   48.333   50.060
LGA    C   117_A      C   117_A     4.057     0    0.049   0.081     4.250   38.690   40.238
LGA    E   118_A      E   118_A     4.526     0    0.086   0.715     5.816   29.048   31.640
LGA    T   119_A      T   119_A     6.718     0    0.080   1.077     8.049   15.357   13.333

# 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):     4.237          4.190                  4.535           45.476   42.929

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0     72    2.74    59.292    56.920     2.534

LGA_LOCAL      RMSD:   2.741  Number of atoms:   72  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.794  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   4.237  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.899610 * X  +   0.219220 * Y  +  -0.377684 * Z  +  55.805355
  Y_new =   0.011897 * X  +   0.852246 * Y  +   0.523006 * Z  +  21.245558
  Z_new =   0.436533 * X  +  -0.474995 * Y  +   0.764080 * Z  +  13.615876 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.013224 -0.451742 -0.556191   [DEG:    0.7577  -25.8829  -31.8674 ]
ZXZ: -2.516161  0.701182  2.398364   [DEG: -144.1654   40.1747  137.4162 ]
 
# END of job
