
#######################################################
#                                                     #
#                        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  113 (  828),  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:    67      53_A - 119_A       3.65    40.56
  LCS_AVERAGE:     51.73

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41       7_A - 47_A        1.78    57.30
  LCS_AVERAGE:     32.26

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36      84_A - 119_A       0.90    49.35
  LCS_AVERAGE:     23.73

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      5   41   46      5    5    5   17   36   38   39   40   42   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     C     8_A     C     8_A      5   41   46      5   23   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     A     9_A     A     9_A      5   41   46      5   23   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     S    10_A     S    10_A      5   41   46      5    6   11   20   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     N    11_A     N    11_A      5   41   46      5    5    5    7   25   35   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     P    12_A     P    12_A      4   41   46      3    4    7   25   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     C    13_A     C    13_A     32   41   46      3    4    8   17   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     L    14_A     L    14_A     32   41   46      3   12   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     N    15_A     N    15_A     32   41   46      3   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     Q    16_A     Q    16_A     32   41   46      3    6   23   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     G    17_A     G    17_A     32   41   46      3   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     T    18_A     T    18_A     32   41   46     10   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     C    19_A     C    19_A     32   41   46      9   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     I    20_A     I    20_A     32   41   46      7   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     D    21_A     D    21_A     32   41   46     10   24   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     D    22_A     D    22_A     32   41   46     10   24   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     V    23_A     V    23_A     32   41   46      6   24   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     A    24_A     A    24_A     32   41   46      6   24   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     G    25_A     G    25_A     32   41   46     10   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     Y    26_A     Y    26_A     32   41   46      9   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     K    27_A     K    27_A     32   41   46     10   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     C    28_A     C    28_A     32   41   46     10   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     N    29_A     N    29_A     32   41   46     10   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     C    30_A     C    30_A     32   41   46      7   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     L    31_A     L    31_A     32   41   46     10   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     L    32_A     L    32_A     32   41   46      8   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     P    33_A     P    33_A     32   41   46     10   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     Y    34_A     Y    34_A     32   41   46      7   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     T    35_A     T    35_A     32   41   46      4   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     G    36_A     G    36_A     32   41   46     10   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     A    37_A     A    37_A     32   41   46     10   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     T    38_A     T    38_A     32   41   46     10   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     C    39_A     C    39_A     32   41   46      4   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     E    40_A     E    40_A     32   41   46     10   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     V    41_A     V    41_A     32   41   46      4   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     V    42_A     V    42_A     32   41   46      4   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     L    43_A     L    43_A     32   41   46      5   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     A    44_A     A    44_A     32   41   46      5   23   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     P    45_A     P    45_A     30   41   46      5   12   20   33   35   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     C    46_A     C    46_A     30   41   46     10   25   33   34   36   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     A    47_A     A    47_A      6   41   46      5    6    9   12   30   35   37   40   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     P    48_A     P    48_A      6   37   46      3    6    9   12   12   17   19   27   35   43   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     S    49_A     S    49_A      4   10   46      3    4    4    6    9   12   15   38   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     P    50_A     P    50_A      4   10   46      3    4    9   12   12   17   24   32   42   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     C    51_A     C    51_A      4   10   46      3    6    9   17   20   35   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     R    52_A     R    52_A      4   10   46      3    4    9   23   28   38   39   41   43   44   45   46   46   46   46   46   46   46   46   46 
LCS_GDT     N    53_A     N    53_A      3    4   67      0    3    3    3    4    4    7   29   42   47   49   55   58   66   67   67   67   67   67   67 
LCS_GDT     G    54_A     G    54_A      3    4   67      3    3    7   13   23   28   32   39   45   53   57   61   63   66   67   67   67   67   67   67 
LCS_GDT     G    55_A     G    55_A      4    8   67      3    3    5    6    8   21   35   42   48   54   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     E    56_A     E    56_A      5    8   67      3    5    7    7    8   13   28   38   45   54   57   62   63   66   67   67   67   67   67   67 
LCS_GDT     C    57_A     C    57_A      6    8   67      4    5    7    7    8   12   20   29   53   55   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     R    58_A     R    58_A      6    8   67      4    4    7    7    8   12   28   38   53   55   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     Q    59_A     Q    59_A      6    8   67      4    4    7    7    8   12   23   34   45   55   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     S    60_A     S    60_A      6    8   67      4    5    7    7    8    9   23   34   53   55   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     E    61_A     E    61_A      6   28   67      3    5    7    7    8    8    8   27   43   55   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     D    62_A     D    62_A      6   31   67      3    5    7    7    8   10   23   34   42   55   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     Y    63_A     Y    63_A     22   38   67      5   11   19   25   34   42   50   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     E    64_A     E    64_A     26   38   67      4   16   26   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     S    65_A     S    65_A     26   38   67      8   23   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     F    66_A     F    66_A     26   38   67     12   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     S    67_A     S    67_A     26   38   67     14   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     C    68_A     C    68_A     26   38   67     14   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     V    69_A     V    69_A     26   38   67     11   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     C    70_A     C    70_A     26   38   67     14   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     P    71_A     P    71_A     26   38   67     14   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     T    72_A     T    72_A     26   38   67     14   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     G    73_A     G    73_A     26   38   67     14   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     W    74_A     W    74_A     26   38   67     14   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     Q    75_A     Q    75_A     26   38   67     14   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     G    76_A     G    76_A     26   38   67     14   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     Q    77_A     Q    77_A     26   38   67     14   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     T    78_A     T    78_A     26   38   67     12   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     C    79_A     C    79_A     26   38   67     14   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     E    80_A     E    80_A     26   40   67     12   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     V    81_A     V    81_A     26   40   67     12   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     D    82_A     D    82_A     26   40   67      9   24   27   32   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     I    83_A     I    83_A     26   40   67     14   24   27   34   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     N    84_A     N    84_A     36   40   67     14   24   31   35   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     E    85_A     E    85_A     36   40   67     14   24   30   35   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     C    86_A     C    86_A     36   40   67     21   29   32   35   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     V    87_A     V    87_A     36   40   67     10   27   32   35   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     L    88_A     L    88_A     36   40   67     12   24   30   34   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     S    89_A     S    89_A     36   40   67      3   29   32   35   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     P    90_A     P    90_A     36   40   67     17   29   32   35   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     C    91_A     C    91_A     36   40   67     21   29   32   35   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     R    92_A     R    92_A     36   40   67     21   29   32   35   36   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     H    93_A     H    93_A     36   40   67     21   29   32   35   36   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     G    94_A     G    94_A     36   40   67     17   29   32   35   36   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     A    95_A     A    95_A     36   40   67     21   29   32   35   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     S    96_A     S    96_A     36   40   67     21   29   32   35   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     C    97_A     C    97_A     36   40   67     21   29   32   35   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     Q    98_A     Q    98_A     36   40   67     21   29   32   35   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     N    99_A     N    99_A     36   40   67     14   29   32   35   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     T   100_A     T   100_A     36   40   67     18   29   32   35   36   40   50   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     H   101_A     H   101_A     36   40   67      7   29   32   35   36   38   44   52   56   57   58   60   64   66   67   67   67   67   67   67 
LCS_GDT     G   102_A     G   102_A     36   40   67      9   17   30   35   36   38   44   52   56   57   58   60   64   66   67   67   67   67   67   67 
LCS_GDT     G   103_A     G   103_A     36   40   67      9   29   32   35   36   39   48   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     Y   104_A     Y   104_A     36   40   67      9   29   32   35   36   42   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     R   105_A     R   105_A     36   40   67     21   29   32   35   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     C   106_A     C   106_A     36   40   67     21   29   32   35   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     H   107_A     H   107_A     36   40   67     21   29   32   35   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     C   108_A     C   108_A     36   40   67     21   29   32   35   37   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     Q   109_A     Q   109_A     36   40   67     21   29   32   35   36   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     A   110_A     A   110_A     36   40   67     21   29   32   35   36   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     G   111_A     G   111_A     36   40   67     21   29   32   35   36   39   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     Y   112_A     Y   112_A     36   40   67     21   29   32   35   36   42   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     S   113_A     S   113_A     36   40   67     21   29   32   35   36   42   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     G   114_A     G   114_A     36   40   67     21   29   32   35   36   41   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     R   115_A     R   115_A     36   40   67     21   29   32   35   36   42   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     N   116_A     N   116_A     36   40   67     21   29   32   35   36   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     C   117_A     C   117_A     36   40   67     21   29   32   35   36   44   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     E   118_A     E   118_A     36   40   67     21   29   32   35   36   40   51   54   56   57   60   62   64   66   67   67   67   67   67   67 
LCS_GDT     T   119_A     T   119_A     36   40   67      4   26   32   35   36   37   43   48   55   57   59   62   64   65   67   67   67   67   67   67 
LCS_AVERAGE  LCS_A:  35.90  (  23.73   32.26   51.73 )

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     21     29     33     35     37     44     51     54     56     57     60     62     64     66     67     67     67     67     67     67 
GDT PERCENT_AT  18.58  25.66  29.20  30.97  32.74  38.94  45.13  47.79  49.56  50.44  53.10  54.87  56.64  58.41  59.29  59.29  59.29  59.29  59.29  59.29
GDT RMS_LOCAL    0.27   0.53   0.87   0.83   1.50   2.00   2.30   2.42   2.56   2.62   3.05   3.17   3.31   3.61   3.65   3.65   3.65   3.65   3.65   3.65
GDT RMS_ALL_AT  50.57  49.63  57.27  48.92  38.81  39.99  40.71  40.52  40.56  40.70  40.89  40.87  40.92  40.41  40.56  40.56  40.56  40.56  40.56  40.56

# Checking swapping
#   possible swapping detected:  D    21_A      D    21_A
#   possible swapping detected:  D    22_A      D    22_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    56_A      E    56_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    71.548     0    0.547   0.908    72.981    0.000    0.000
LGA    C     8_A      C     8_A    70.511     0    0.080   0.109    72.222    0.000    0.000
LGA    A     9_A      A     9_A    74.477     0    0.059   0.060    76.795    0.000    0.000
LGA    S    10_A      S    10_A    76.674     0    0.159   0.238    76.972    0.000    0.000
LGA    N    11_A      N    11_A    74.327     0    0.502   1.217    76.026    0.000    0.000
LGA    P    12_A      P    12_A    68.910     0    0.692   0.601    70.501    0.000    0.000
LGA    C    13_A      C    13_A    65.946     0    0.154   0.231    66.818    0.000    0.000
LGA    L    14_A      L    14_A    65.792     0    0.058   1.034    67.693    0.000    0.000
LGA    N    15_A      N    15_A    64.288     0    0.340   0.890    65.076    0.000    0.000
LGA    Q    16_A      Q    16_A    63.734     0    0.028   1.262    65.374    0.000    0.000
LGA    G    17_A      G    17_A    63.346     0    0.128   0.128    65.109    0.000    0.000
LGA    T    18_A      T    18_A    64.431     0    0.079   1.158    67.109    0.000    0.000
LGA    C    19_A      C    19_A    65.065     0    0.018   0.039    66.620    0.000    0.000
LGA    I    20_A      I    20_A    64.167     0    0.006   0.504    64.421    0.000    0.000
LGA    D    21_A      D    21_A    65.602     0    0.261   1.407    70.633    0.000    0.000
LGA    D    22_A      D    22_A    63.307     0    0.030   1.100    64.218    0.000    0.000
LGA    V    23_A      V    23_A    63.794     0    0.035   1.037    65.222    0.000    0.000
LGA    A    24_A      A    24_A    62.884     0    0.182   0.197    64.124    0.000    0.000
LGA    G    25_A      G    25_A    63.945     0    0.033   0.033    63.945    0.000    0.000
LGA    Y    26_A      Y    26_A    64.028     0    0.082   1.305    71.643    0.000    0.000
LGA    K    27_A      K    27_A    61.939     0    0.013   0.595    62.727    0.000    0.000
LGA    C    28_A      C    28_A    61.685     0    0.039   0.061    63.401    0.000    0.000
LGA    N    29_A      N    29_A    60.422     0    0.143   1.124    61.538    0.000    0.000
LGA    C    30_A      C    30_A    59.778     0    0.027   0.055    60.072    0.000    0.000
LGA    L    31_A      L    31_A    59.453     0    0.129   1.296    59.997    0.000    0.000
LGA    L    32_A      L    32_A    58.290     0    0.057   0.173    58.893    0.000    0.000
LGA    P    33_A      P    33_A    57.875     0    0.161   0.180    60.392    0.000    0.000
LGA    Y    34_A      Y    34_A    59.271     0    0.026   1.184    61.921    0.000    0.000
LGA    T    35_A      T    35_A    59.043     0    0.063   0.090    60.223    0.000    0.000
LGA    G    36_A      G    36_A    60.349     0    0.016   0.016    60.549    0.000    0.000
LGA    A    37_A      A    37_A    61.397     0    0.053   0.055    62.377    0.000    0.000
LGA    T    38_A      T    38_A    62.790     0    0.153   0.169    64.368    0.000    0.000
LGA    C    39_A      C    39_A    61.258     0    0.117   0.107    61.860    0.000    0.000
LGA    E    40_A      E    40_A    62.651     0    0.016   1.044    63.694    0.000    0.000
LGA    V    41_A      V    41_A    60.886     0    0.078   0.100    61.352    0.000    0.000
LGA    V    42_A      V    42_A    59.374     0    0.011   0.060    60.116    0.000    0.000
LGA    L    43_A      L    43_A    58.353     0    0.048   1.379    58.525    0.000    0.000
LGA    A    44_A      A    44_A    59.636     0    0.141   0.149    61.049    0.000    0.000
LGA    P    45_A      P    45_A    57.148     0    0.033   0.124    57.831    0.000    0.000
LGA    C    46_A      C    46_A    59.416     0    0.115   0.117    61.574    0.000    0.000
LGA    A    47_A      A    47_A    62.930     0    0.068   0.071    64.808    0.000    0.000
LGA    P    48_A      P    48_A    62.778     0    0.060   0.352    63.013    0.000    0.000
LGA    S    49_A      S    49_A    61.897     0    0.394   0.719    62.708    0.000    0.000
LGA    P    50_A      P    50_A    58.457     0    0.101   0.123    59.247    0.000    0.000
LGA    C    51_A      C    51_A    59.072     0    0.117   0.863    62.467    0.000    0.000
LGA    R    52_A      R    52_A    62.818     0    0.016   1.445    63.415    0.000    0.000
LGA    N    53_A      N    53_A     8.284     0    0.427   0.512    11.323    3.929    2.619
LGA    G    54_A      G    54_A     9.141     0    0.683   0.683     9.141    3.929    3.929
LGA    G    55_A      G    55_A     8.003     0    0.442   0.442     8.003    8.095    8.095
LGA    E    56_A      E    56_A     9.365     0    0.474   1.189    12.852    2.619    1.164
LGA    C    57_A      C    57_A     7.065     0    0.090   0.116     8.719    6.786    9.603
LGA    R    58_A      R    58_A     7.845     0    0.042   1.247    11.727   10.119    5.238
LGA    Q    59_A      Q    59_A     7.836     0    0.086   0.997     9.533    5.476    5.238
LGA    S    60_A      S    60_A     7.372     0    0.132   0.558     7.802   10.000    9.048
LGA    E    61_A      E    61_A     8.356     0    0.653   0.732    13.832    7.381    3.280
LGA    D    62_A      D    62_A     5.644     0    0.653   1.177     8.567   29.762   20.298
LGA    Y    63_A      Y    63_A     3.010     0    0.452   1.382    10.605   44.881   22.183
LGA    E    64_A      E    64_A     2.253     0    0.184   0.786     6.262   63.095   51.323
LGA    S    65_A      S    65_A     1.859     0    0.042   0.652     2.398   68.810   70.238
LGA    F    66_A      F    66_A     2.305     0    0.008   0.059     3.953   68.810   54.416
LGA    S    67_A      S    67_A     2.190     0    0.028   0.032     3.060   59.167   59.762
LGA    C    68_A      C    68_A     2.798     0    0.073   0.799     2.843   60.952   60.952
LGA    V    69_A      V    69_A     3.706     0    0.059   0.065     4.866   45.000   40.000
LGA    C    70_A      C    70_A     3.048     0    0.065   0.129     3.918   48.333   53.810
LGA    P    71_A      P    71_A     3.509     0    0.017   0.079     3.718   53.810   51.224
LGA    T    72_A      T    72_A     3.001     0    0.023   0.062     3.617   57.381   53.265
LGA    G    73_A      G    73_A     1.914     0    0.060   0.060     2.284   72.976   72.976
LGA    W    74_A      W    74_A     1.526     0    0.066   0.119     2.528   72.976   67.721
LGA    Q    75_A      Q    75_A     0.872     0    0.027   0.509     3.722   92.857   74.180
LGA    G    76_A      G    76_A     0.809     0    0.040   0.040     0.809   90.476   90.476
LGA    Q    77_A      Q    77_A     1.003     0    0.034   0.835     3.367   79.405   74.233
LGA    T    78_A      T    78_A     2.369     0    0.000   0.034     3.250   64.881   60.544
LGA    C    79_A      C    79_A     1.668     0    0.039   0.057     2.226   70.833   68.810
LGA    E    80_A      E    80_A     2.346     0    0.041   1.267     6.706   68.810   45.079
LGA    V    81_A      V    81_A     1.258     0    0.021   0.031     2.222   86.190   79.320
LGA    D    82_A      D    82_A     0.400     0    0.105   0.592     2.489   92.976   86.250
LGA    I    83_A      I    83_A     1.356     0    0.030   0.064     1.873   81.429   77.143
LGA    N    84_A      N    84_A     1.608     0    0.070   0.137     2.226   70.833   71.905
LGA    E    85_A      E    85_A     2.346     0    0.005   0.087     2.957   62.976   66.667
LGA    C    86_A      C    86_A     2.688     0    0.046   0.044     3.012   55.357   58.492
LGA    V    87_A      V    87_A     3.402     0    0.054   0.947     5.699   46.667   41.224
LGA    L    88_A      L    88_A     3.578     0    0.424   0.325     6.718   50.238   36.250
LGA    S    89_A      S    89_A     1.684     0    0.335   0.709     3.897   70.833   63.968
LGA    P    90_A      P    90_A     1.252     0    0.121   0.181     1.282   81.429   82.721
LGA    C    91_A      C    91_A     0.725     0    0.085   0.135     1.478   95.238   92.143
LGA    R    92_A      R    92_A     1.437     0    0.012   1.151     5.299   79.286   65.022
LGA    H    93_A      H    93_A     2.438     0    0.000   1.141     5.058   62.857   53.810
LGA    G    94_A      G    94_A     2.265     0    0.177   0.177     2.265   68.810   68.810
LGA    A    95_A      A    95_A     1.005     0    0.018   0.018     1.389   81.429   83.238
LGA    S    96_A      S    96_A     1.250     0    0.107   0.535     2.318   81.429   77.222
LGA    C    97_A      C    97_A     1.429     0    0.029   0.072     1.988   77.143   75.714
LGA    Q    98_A      Q    98_A     2.428     0    0.000   0.269     4.318   64.762   56.720
LGA    N    99_A      N    99_A     2.484     0    0.069   1.128     4.445   57.381   59.702
LGA    T   100_A      T   100_A     3.794     0    0.023   0.052     4.249   41.905   43.469
LGA    H   101_A      H   101_A     5.272     0    0.040   1.038     5.937   26.310   30.905
LGA    G   102_A      G   102_A     5.162     0    0.025   0.025     5.162   27.500   27.500
LGA    G   103_A      G   103_A     4.208     0    0.115   0.115     4.515   40.476   40.476
LGA    Y   104_A      Y   104_A     3.001     0    0.049   0.077     3.479   53.571   54.167
LGA    R   105_A      R   105_A     2.298     0    0.010   0.884     4.589   66.905   52.814
LGA    C   106_A      C   106_A     1.257     0    0.085   0.127     1.705   83.810   81.587
LGA    H   107_A      H   107_A     0.572     0    0.023   1.091     3.279   92.857   78.905
LGA    C   108_A      C   108_A     0.965     0    0.028   0.140     1.840   85.952   83.016
LGA    Q   109_A      Q   109_A     1.782     0    0.012   0.224     2.307   70.952   75.820
LGA    A   110_A      A   110_A     2.951     0    0.000   0.009     3.627   51.905   51.524
LGA    G   111_A      G   111_A     3.780     0    0.017   0.017     4.096   43.452   43.452
LGA    Y   112_A      Y   112_A     3.100     0    0.036   0.165     5.491   53.571   44.008
LGA    S   113_A      S   113_A     2.957     0    0.031   0.150     3.434   51.786   51.190
LGA    G   114_A      G   114_A     3.399     0    0.033   0.033     3.399   51.786   51.786
LGA    R   115_A      R   115_A     3.091     0    0.009   1.203     9.979   55.476   29.437
LGA    N   116_A      N   116_A     2.378     0    0.015   0.022     3.325   64.881   60.119
LGA    C   117_A      C   117_A     2.303     0    0.024   0.032     2.652   60.952   66.349
LGA    E   118_A      E   118_A     3.360     0    0.029   1.051     5.692   43.571   39.048
LGA    T   119_A      T   119_A     5.240     0    0.141   1.037     6.410   31.667   28.095

# 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):    25.012         25.018                 25.332           33.080   30.705

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  113  113    4.0     54    2.42    40.929    39.876     2.139

LGA_LOCAL      RMSD:   2.424  Number of atoms:   54  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  40.515  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:  25.012  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.592710 * X  +  -0.732663 * Y  +   0.334515 * Z  +  28.468977
  Y_new =   0.440517 * X  +   0.642599 * Y  +   0.626907 * Z  +  84.580910
  Z_new =  -0.674270 * X  +  -0.224215 * Y  +   0.703625 * Z  +  40.469791 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.639151  0.739976 -0.308484   [DEG:   36.6206   42.3975  -17.6748 ]
ZXZ:  2.651431  0.790311 -1.891823   [DEG:  151.9158   45.2815 -108.3935 ]
 
# END of job
