
#######################################################
#                                                     #
#                        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  112 (  911),  selected  112 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  112 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    59      59_B - 117_B       4.90     8.32
  LCS_AVERAGE:     44.59

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50      68_B - 117_B       1.82     7.92
  LCS_AVERAGE:     24.68

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      71_B - 100_B       0.99     8.02
  LCS_AVERAGE:     12.68

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  112
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     M     6_C     M     6_B      3    9   47      3    3    3    4    9   14   15   28   39   53   61   78   83   89   91   95   96   97   98  100 
LCS_GDT     L     7_C     L     7_B      6   11   47      3    4    6   11   14   17   36   67   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     S     8_C     S     8_B      6   12   47      3    4    7   11   14   22   46   67   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     N     9_C     N     9_B      6   12   47      3    4    9   21   33   55   60   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I    10_C     I    10_B      8   12   47      5    9   12   22   33   49   60   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     V    11_C     V    11_B      8   12   47      5    9   13   22   40   49   59   69   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I    12_C     I    12_B      8   12   47      5    9   13   22   40   49   60   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     Q    13_C     Q    13_B      8   12   47      5    9   13   22   40   53   60   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E    14_C     E    14_B      8   12   47      5    9   20   32   45   55   61   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     V    15_C     V    15_B      8   12   47      4    9   20   39   48   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     K    16_C     K    16_B      8   12   47      5    8   20   25   40   55   61   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     F    17_C     F    17_B      8   12   47      3   10   20   33   44   55   61   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     A    18_C     A    18_B      4   12   47      3    4    7   20   30   53   61   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I    19_C     I    19_B      4   12   47      9   14   26   36   47   55   61   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E    20_C     E    20_B      4    9   47      3    4    6    8   13   19   54   60   68   79   82   86   89   90   92   95   96   97   98  100 
LCS_GDT     D    21_C     D    21_B      4   10   47      3    5    6    8   13   19   36   48   59   70   82   85   89   90   92   95   96   97   98  100 
LCS_GDT     Y    22_C     Y    22_B      7   10   47      3    7    7   11   14   26   42   57   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     C    23_C     C    23_B      7   10   47      5    7    8   11   24   36   52   61   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     A    24_C     A    24_B      7   10   47      5    7    8   11   14   26   36   61   68   78   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I    25_C     I    25_B      7   10   47      5    7    8   11   14   41   53   62   72   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L    26_C     L    26_B      7   10   47      5    7    8   11   14   27   52   61   72   78   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     S    27_C     S    27_B      7   10   47      5    7   11   14   20   37   52   61   72   78   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     F    28_C     F    28_B      7   10   47      5    7    8   11   14   27   36   57   66   77   81   87   89   90   92   95   96   97   98  100 
LCS_GDT     A    29_C     A    29_B      7   10   47      5    7   11   14   20   37   52   61   72   78   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     S    30_C     S    30_B      7   10   47      5    7    8   11   16   37   52   61   68   77   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     D    31_C     D    31_B      6   10   47      3    4    6    8   14   20   35   40   50   58   66   80   86   89   92   95   96   97   97  100 
LCS_GDT     S    32_C     S    32_B      4    9   47      3    6    6    8   10   12   16   29   33   37   40   48   55   62   76   80   88   92   94   97 
LCS_GDT     Y    33_C     Y    33_B      6    9   47      3    6    6   14   20   27   35   40   50   73   77   83   86   89   92   95   96   97   97  100 
LCS_GDT     E    34_C     E    34_B      6    9   47      3    6    6    8   10   12   14   19   45   51   63   77   82   85   90   95   96   97   97  100 
LCS_GDT     V    35_C     V    35_B      6   10   47      3    6   13   23   38   46   53   60   69   78   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     P    36_C     P    36_B      6   15   47      3   15   26   39   48   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E    37_C     E    37_B     11   15   47      4   22   37   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     Q    38_C     Q    38_B     11   15   47      7   10   19   43   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     Y    39_C     Y    39_B     11   15   47      6   10   22   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     F    40_C     F    40_B     11   15   47      7   10   37   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I    41_C     I    41_B     11   15   47      7   12   37   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I    42_C     I    42_B     11   15   47      7   23   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     T    43_C     T    43_B     11   15   47      7   26   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     R    44_C     R    44_B     11   15   47      7   26   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     S    45_C     S    45_B     11   15   47      3   10   20   36   44   54   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     T    46_C     T    46_B     11   15   47      3   10   20   34   44   53   62   70   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     T    47_C     T    47_B     11   15   47      3    7   20   36   44   53   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E    48_C     E    48_B      6   15   47      3   10   20   36   44   54   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     R    49_C     R    49_B      6   15   47      3   10   18   44   51   54   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     S    50_C     S    50_B      4   15   47      3    4    4   43   51   54   62   71   74   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     G    51_C     G    51_B      3    7   47      3    3    4    6    8    9   37   57   67   77   82   87   89   90   92   95   96   97   98  100 
LCS_GDT     G    52_C     G    52_B      4    9   47      3    5    6    7   21   30   38   55   65   73   78   83   86   87   91   95   96   97   98  100 
LCS_GDT     I    53_C     I    53_B      5    9   18      3    5    6    7    8   10   12   23   26   36   45   58   76   77   86   86   90   93   94   97 
LCS_GDT     P    54_C     P    54_B      5    9   17      3    5    6    7    8   10   11   19   26   35   38   57   62   66   79   81   88   90   94   97 
LCS_GDT     E    55_C     E    55_B      5    9   17      4    5    6    7    8   11   14   16   20   29   31   38   44   49   60   67   77   86   90   92 
LCS_GDT     G    56_C     G    56_B      5    9   17      4    4    6    7    8   10   11   13   19   25   28   33   36   39   44   46   52   56   66   73 
LCS_GDT     D    57_C     D    57_B      5    9   17      4    4    6    7    8   10   11   14   19   25   27   29   36   37   38   40   47   50   53   60 
LCS_GDT     I    58_C     I    58_B      4    9   17      4    4    4    6    8   10   11   14   19   25   27   29   36   39   44   46   48   50   58   68 
LCS_GDT     Y    59_C     Y    59_B      4    9   59      3    4    6    7    8   10   11   14   19   25   27   29   36   37   38   40   44   48   53   57 
LCS_GDT     L    60_C     L    60_B      5    9   59      3    5    6    7    8   10   11   14   19   25   27   29   36   37   38   42   48   50   70   80 
LCS_GDT     E    61_C     E    61_B      5    8   59      3    4    6    7    8    9   11   14   19   25   27   29   36   37   39   55   65   74   86   92 
LCS_GDT     S    62_C     S    62_B      5    8   59      3    5    6    7    8    9   11   14   22   29   33   43   50   55   66   82   89   93   98   99 
LCS_GDT     N    63_C     N    63_B      5    8   59      3    4    6    9   12   24   28   41   47   53   57   68   76   81   86   92   94   97   98  100 
LCS_GDT     L    64_C     L    64_B      5    8   59      3    4    6    7   19   24   36   43   50   53   60   65   71   79   86   92   94   95   98  100 
LCS_GDT     F    65_C     F    65_B      5   14   59      4    5    7   13   17   26   36   43   50   53   57   63   71   73   77   85   89   93   97   99 
LCS_GDT     L    66_C     L    66_B      6   14   59      4    5    7   13   17   26   36   43   50   53   57   65   71   73   79   87   92   95   98  100 
LCS_GDT     D    67_C     D    67_B      6   14   59      4    5    7   13   17   20   36   42   50   53   56   65   71   74   80   86   92   95   98  100 
LCS_GDT     F    68_C     F    68_B      6   50   59      4    5    6   11   20   29   38   49   53   65   74   78   85   88   91   92   96   97   98  100 
LCS_GDT     N    69_C     N    69_B      6   50   59      4    5    6   16   38   44   49   60   67   71   78   85   89   90   92   95   96   97   98  100 
LCS_GDT     P    70_C     P    70_B     29   50   59      4   21   33   41   47   54   60   69   74   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     Y    71_C     Y    71_B     30   50   59      4   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     G    72_C     G    72_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L    73_C     L    73_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     S    74_C     S    74_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     G    75_C     G    75_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     Y    76_C     Y    76_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L    77_C     L    77_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L    78_C     L    78_B     30   50   59     19   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     S    79_C     S    79_B     30   50   59      7   26   37   44   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E    80_C     E    80_B     30   50   59      2   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     P    81_C     P    81_B     30   50   59      3    8   18   37   45   54   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     N    82_C     N    82_B     30   50   59      3   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     C    83_C     C    83_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     V    84_C     V    84_B     30   50   59     15   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     D    85_C     D    85_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L    86_C     L    86_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L    87_C     L    87_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I    88_C     I    88_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E    89_C     E    89_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     P    90_C     P    90_B     30   50   59     14   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     N    91_C     N    91_B     30   50   59      6   30   37   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     N    92_C     N    92_B     30   50   59     15   30   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     Y    93_C     Y    93_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     V    94_C     V    94_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     R    95_C     R    95_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L    96_C     L    96_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     R    97_C     R    97_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L    98_C     L    98_B     30   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I    99_C     I    99_B     30   50   59      6   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E   100_C     E   100_B     30   50   59      3   22   37   45   51   54   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     K   101_C     K   101_B     17   50   59      3    6   26   40   47   52   61   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I   102_C     I   102_B     17   50   59      4   24   37   43   48   54   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     D   103_C     D   103_B     17   50   59      9   24   37   43   48   54   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     I   104_C     I   104_B     17   50   59      9   16   33   42   47   54   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L   105_C     L   105_B     17   50   59      9   21   37   44   51   54   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E   106_C     E   106_B     17   50   59     19   30   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     V   107_C     V   107_B     17   50   59     14   29   37   43   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     E   108_C     E   108_B     17   50   59     17   30   37   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     N   109_C     N   109_B     17   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     H   110_C     H   110_B     17   50   59     14   30   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L   111_C     L   111_B     17   50   59     14   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     K   112_C     K   112_B     17   50   59     11   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     F   113_C     F   113_B     17   50   59      7   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     L   114_C     L   114_B     17   50   59      7   21   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     F   115_C     F   115_B     17   50   59     16   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     D   116_C     D   116_B     17   50   59     20   31   38   45   51   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_GDT     N   117_C     N   117_B     17   50   59      3   15   28   43   49   55   62   71   76   79   83   87   89   90   92   95   96   97   98  100 
LCS_AVERAGE  LCS_A:  27.32  (  12.68   24.68   44.59 )

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     20     31     38     45     51     55     62     71     76     79     83     87     89     90     92     95     96     97     98    100 
GDT PERCENT_AT  17.24  26.72  32.76  38.79  43.97  47.41  53.45  61.21  65.52  68.10  71.55  75.00  76.72  77.59  79.31  81.90  82.76  83.62  84.48  86.21
GDT RMS_LOCAL    0.35   0.65   0.86   1.10   1.34   1.74   1.88   2.35   2.61   2.72   2.96   3.18   3.32   3.38   3.61   3.92   4.03   4.18   4.53   4.64
GDT RMS_ALL_AT   7.91   7.86   7.91   8.01   8.16   7.74   8.17   7.98   7.96   7.95   7.88   7.86   7.79   7.79   7.78   7.72   7.67   7.62   7.57   7.52

# Checking swapping
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  E    20_C      E    20_B
#   possible swapping detected:  D    21_C      D    21_B
#   possible swapping detected:  F    28_C      F    28_B
#   possible swapping detected:  E    37_C      E    37_B
#   possible swapping detected:  E    55_C      E    55_B
#   possible swapping detected:  D    57_C      D    57_B
#   possible swapping detected:  F    68_C      F    68_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E    80_C      E    80_B
#   possible swapping detected:  E   100_C      E   100_B
#   possible swapping detected:  E   106_C      E   106_B
#   possible swapping detected:  E   108_C      E   108_B
#   possible swapping detected:  F   113_C      F   113_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     6_C      M     6_B     9.775     0    0.034   0.628    16.281    5.238    2.619
LGA    L     7_C      L     7_B     5.149     0    0.626   0.490     7.051   23.452   24.583
LGA    S     8_C      S     8_B     5.297     0    0.170   0.691     7.653   28.810   23.254
LGA    N     9_C      N     9_B     3.971     0    0.024   0.881     6.440   43.452   37.976
LGA    I    10_C      I    10_B     4.215     0    0.146   0.878     5.016   37.143   34.345
LGA    V    11_C      V    11_B     4.297     0    0.069   0.073     4.755   38.690   36.395
LGA    I    12_C      I    12_B     3.951     0    0.018   0.628     4.459   38.690   41.845
LGA    Q    13_C      Q    13_B     4.330     0    0.037   1.071     7.803   37.143   32.011
LGA    E    14_C      E    14_B     3.454     0    0.107   0.395     5.533   51.905   40.212
LGA    V    15_C      V    15_B     2.511     0    0.086   0.158     2.849   57.143   60.408
LGA    K    16_C      K    16_B     3.951     0    0.302   0.847     7.945   43.452   31.534
LGA    F    17_C      F    17_B     3.766     0    0.088   1.267    12.814   39.048   17.273
LGA    A    18_C      A    18_B     3.753     0    0.173   0.241     5.574   45.119   40.381
LGA    I    19_C      I    19_B     3.949     0    0.026   0.122     9.790   41.786   28.155
LGA    E    20_C      E    20_B     5.968     0    0.318   0.942    11.070   22.857   11.481
LGA    D    21_C      D    21_B     6.614     0    0.517   0.830    10.057   15.238   10.774
LGA    Y    22_C      Y    22_B     5.336     0    0.091   0.287     6.424   25.000   23.849
LGA    C    23_C      C    23_B     5.386     0    0.097   0.708     5.517   25.000   25.397
LGA    A    24_C      A    24_B     6.307     0    0.050   0.066     6.704   17.143   16.381
LGA    I    25_C      I    25_B     5.806     0    0.088   0.138     6.766   17.262   20.536
LGA    L    26_C      L    26_B     6.477     0    0.163   1.361     8.124   17.143   17.024
LGA    S    27_C      S    27_B     6.372     0    0.113   0.163     7.482   13.452   13.492
LGA    F    28_C      F    28_B     6.996     0    0.023   0.124     9.519   13.333    7.056
LGA    A    29_C      A    29_B     6.865     0    0.027   0.028     7.395   11.667   11.333
LGA    S    30_C      S    30_B     7.177     0    0.700   0.658     7.738   10.952   11.190
LGA    D    31_C      D    31_B    10.689     0    0.695   1.234    13.723    0.119    0.060
LGA    S    32_C      S    32_B    15.019     0    0.151   0.614    19.132    0.000    0.000
LGA    Y    33_C      Y    33_B    10.895     0    0.160   0.567    13.737    0.000    0.198
LGA    E    34_C      E    34_B    11.750     0    0.062   0.177    17.918    0.000    0.000
LGA    V    35_C      V    35_B     7.017     0    0.242   0.228     8.502   18.095   15.102
LGA    P    36_C      P    36_B     2.729     0    0.146   0.158     5.088   62.143   54.694
LGA    E    37_C      E    37_B     1.962     0    0.182   0.400     5.573   65.357   48.942
LGA    Q    38_C      Q    38_B     3.268     0    0.053   0.385     6.632   57.262   37.354
LGA    Y    39_C      Y    39_B     2.673     0    0.038   1.486     8.356   57.143   44.563
LGA    F    40_C      F    40_B     2.069     0    0.090   1.280     6.401   68.810   53.636
LGA    I    41_C      I    41_B     1.880     0    0.084   0.148     2.373   72.857   70.833
LGA    I    42_C      I    42_B     0.893     0    0.070   0.154     1.239   88.214   87.083
LGA    T    43_C      T    43_B     0.829     0    0.027   0.178     1.628   90.476   84.150
LGA    R    44_C      R    44_B     0.999     0    0.036   0.398     3.938   79.643   68.095
LGA    S    45_C      S    45_B     3.182     0    0.069   0.603     3.890   53.690   51.349
LGA    T    46_C      T    46_B     3.948     0    0.031   1.026     5.222   45.000   41.905
LGA    T    47_C      T    47_B     3.873     0    0.053   0.098     5.572   46.667   37.959
LGA    E    48_C      E    48_B     3.667     0    0.035   0.246     5.997   46.667   34.921
LGA    R    49_C      R    49_B     3.308     0    0.552   1.200    10.314   39.524   22.251
LGA    S    50_C      S    50_B     3.440     0    0.647   0.676     5.745   44.048   39.127
LGA    G    51_C      G    51_B     6.505     0    0.694   0.694     9.063   16.310   16.310
LGA    G    52_C      G    52_B    10.352     0    0.523   0.523    13.159    1.190    1.190
LGA    I    53_C      I    53_B    15.026     0    0.042   0.191    18.766    0.000    0.000
LGA    P    54_C      P    54_B    16.582     0    0.066   0.357    20.531    0.000    0.000
LGA    E    55_C      E    55_B    20.353     0    0.039   0.623    21.891    0.000    0.000
LGA    G    56_C      G    56_B    26.220     0    0.108   0.108    26.220    0.000    0.000
LGA    D    57_C      D    57_B    27.261     0    0.160   1.035    32.278    0.000    0.000
LGA    I    58_C      I    58_B    23.010     0    0.172   1.082    24.292    0.000    0.000
LGA    Y    59_C      Y    59_B    23.710     0    0.153   1.286    28.474    0.000    0.000
LGA    L    60_C      L    60_B    19.405     0    0.120   1.078    21.224    0.000    0.000
LGA    E    61_C      E    61_B    18.072     0    0.081   0.976    21.366    0.000    0.000
LGA    S    62_C      S    62_B    14.626     0    0.400   0.721    16.367    0.000    0.000
LGA    N    63_C      N    63_B    11.388     0    0.455   1.047    13.539    0.000    0.000
LGA    L    64_C      L    64_B    11.527     0    0.011   1.358    13.136    0.000    0.357
LGA    F    65_C      F    65_B    13.721     0    0.145   0.844    17.387    0.000    0.000
LGA    L    66_C      L    66_B    12.668     0    0.081   1.363    12.793    0.000    0.357
LGA    D    67_C      D    67_B    13.317     0    0.084   1.010    17.648    0.000    0.000
LGA    F    68_C      F    68_B     9.904     0    0.097   1.201    11.067    0.833   22.468
LGA    N    69_C      N    69_B     7.710     0    0.055   0.192     8.549   15.714   11.607
LGA    P    70_C      P    70_B     4.276     0    0.217   0.346     7.246   43.214   30.612
LGA    Y    71_C      Y    71_B     0.831     0    0.355   0.335     4.028   73.452   68.056
LGA    G    72_C      G    72_B     1.256     0    0.144   0.144     1.344   81.429   81.429
LGA    L    73_C      L    73_B     1.282     0    0.063   1.274     3.556   81.429   74.524
LGA    S    74_C      S    74_B     0.915     0    0.018   0.028     1.136   90.595   87.540
LGA    G    75_C      G    75_B     0.443     0    0.052   0.052     0.681   92.857   92.857
LGA    Y    76_C      Y    76_B     0.597     0    0.007   0.199     0.895   92.857   91.270
LGA    L    77_C      L    77_B     0.437     0    0.034   0.137     1.071   92.857   91.726
LGA    L    78_C      L    78_B     0.776     0    0.236   1.090     3.298   83.810   79.881
LGA    S    79_C      S    79_B     1.410     0    0.672   0.776     3.940   72.024   73.730
LGA    E    80_C      E    80_B     0.825     0    0.049   1.085     7.682   63.333   44.074
LGA    P    81_C      P    81_B     3.230     0    0.063   0.413     5.856   55.714   44.694
LGA    N    82_C      N    82_B     1.369     0    0.149   0.591     3.212   81.548   73.393
LGA    C    83_C      C    83_B     1.120     0    0.031   0.090     1.562   83.690   81.508
LGA    V    84_C      V    84_B     0.892     0    0.019   0.119     1.383   90.476   86.599
LGA    D    85_C      D    85_B     0.633     0    0.062   0.085     0.912   90.476   95.238
LGA    L    86_C      L    86_B     0.887     0    0.027   0.091     1.610   90.476   84.881
LGA    L    87_C      L    87_B     0.858     0    0.014   0.109     1.041   85.952   91.786
LGA    I    88_C      I    88_B     1.306     0    0.098   0.238     1.931   79.286   79.286
LGA    E    89_C      E    89_B     1.402     0    0.046   0.918     4.574   79.286   67.249
LGA    P    90_C      P    90_B     1.589     0    0.625   0.600     2.482   72.976   72.925
LGA    N    91_C      N    91_B     2.598     0    0.052   0.782     4.777   60.952   52.321
LGA    N    92_C      N    92_B     2.279     0    0.037   0.186     3.315   68.810   63.036
LGA    Y    93_C      Y    93_B     1.278     0    0.030   0.087     1.662   77.143   80.040
LGA    V    94_C      V    94_B     1.466     0    0.048   0.075     1.728   81.429   77.755
LGA    R    95_C      R    95_B     1.215     0    0.065   0.238     1.441   81.429   83.896
LGA    L    96_C      L    96_B     1.384     0    0.104   0.197     2.806   85.952   75.417
LGA    R    97_C      R    97_B     1.357     0    0.086   0.981     3.706   79.286   74.892
LGA    L    98_C      L    98_B     1.446     0    0.011   0.114     2.256   79.286   74.048
LGA    I    99_C      I    99_B     1.454     0    0.607   1.743     3.777   71.429   65.655
LGA    E   100_C      E   100_B     2.559     0    0.644   0.860    10.151   71.310   37.143
LGA    K   101_C      K   101_B     3.740     0    0.481   0.850    15.177   48.690   24.074
LGA    I   102_C      I   102_B     3.416     0    0.100   0.168     3.856   50.000   47.500
LGA    D   103_C      D   103_B     3.410     0    0.086   0.224     3.930   50.119   47.560
LGA    I   104_C      I   104_B     3.404     0    0.042   0.193     4.076   53.571   46.905
LGA    L   105_C      L   105_B     2.604     0    0.052   1.392     6.112   62.976   50.060
LGA    E   106_C      E   106_B     1.891     0    0.099   0.502     3.202   70.833   67.619
LGA    V   107_C      V   107_B     2.266     0    0.020   0.034     3.025   68.810   62.789
LGA    E   108_C      E   108_B     1.836     0    0.062   0.194     2.542   77.143   70.317
LGA    N   109_C      N   109_B     1.141     0    0.040   0.090     1.701   83.690   81.488
LGA    H   110_C      H   110_B     1.537     0    0.045   0.927     3.185   77.143   72.429
LGA    L   111_C      L   111_B     1.292     0    0.022   0.110     1.735   81.429   79.286
LGA    K   112_C      K   112_B     0.721     0    0.062   0.518     3.184   90.476   76.561
LGA    F   113_C      F   113_B     0.741     0    0.126   0.233     2.172   88.214   80.866
LGA    L   114_C      L   114_B     0.855     0    0.062   0.207     1.573   88.214   82.679
LGA    F   115_C      F   115_B     0.601     0    0.167   0.260     1.529   95.238   87.316
LGA    D   116_C      D   116_B     0.885     0    0.021   0.715     3.849   79.643   69.702
LGA    N   117_C      N   117_B     2.687     0    0.226   1.160     6.034   46.071   43.810

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      112     448    448  100.00     911    911  100.00               116
SUMMARY(RMSD_GDC):     7.204          7.119                  7.705           46.008   41.659

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  112  116    4.0     71    2.35    52.155    46.889     2.896

LGA_LOCAL      RMSD:   2.351  Number of atoms:   71  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.980  Number of assigned atoms:  112 
Std_ASGN_ATOMS RMSD:   7.204  Standard rmsd on all 112 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.646063 * X  +   0.279989 * Y  +   0.710077 * Z  + -20.277752
  Y_new =  -0.544829 * X  +  -0.482371 * Y  +   0.685915 * Z  + -13.907686
  Z_new =   0.534569 * X  +  -0.830015 * Y  +  -0.159096 * Z  +  -3.626496 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.700595 -0.563998 -1.760178   [DEG:  -40.1412  -32.3147 -100.8508 ]
ZXZ:  2.338888  1.730571  2.569413   [DEG:  134.0084   99.1544  147.2165 ]
 
# END of job
