
#######################################################
#                                                     #
#                        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  115 (  972),  selected  108 , name one
# Molecule2: number of CA atoms  108 (  908),  selected  108 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68       4_C - 71_C        4.97    12.09
  LCS_AVERAGE:     58.85

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      75_C - 109_C       1.68    13.55
  LCS_AVERAGE:     25.87

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      78_C - 109_C       0.84    12.19
  LCS_AVERAGE:     20.92

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  108
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     L     2_C     L     2_C      3    6   32      0    3    3    4    6    9   11   18   23   26   28   28   29   34   51   57   66   71   76   79 
LCS_GDT     P     3_C     P     3_C      4    6   32      3    3    4    4    6    8   10   18   25   26   28   28   29   37   39   58   66   71   78   79 
LCS_GDT     D     4_C     D     4_C      4   26   68      3    3    4    5   10   14   24   24   25   26   28   39   50   52   56   62   70   72   76   79 
LCS_GDT     E     5_C     E     5_C      4   26   68      3    3    4    4    6    8   10   17   20   25   32   57   64   69   69   71   73   74   76   79 
LCS_GDT     E     6_C     E     6_C     24   26   68     11   18   23   23   23   24   24   25   37   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     K     7_C     K     7_C     24   26   68     12   21   23   23   23   24   24   24   36   47   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     L     8_C     L     8_C     24   26   68     14   21   23   23   23   24   24   24   27   38   53   59   64   69   69   71   76   79   81   83 
LCS_GDT     K     9_C     K     9_C     24   26   68     12   21   23   23   23   24   24   26   38   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     L    10_C     L    10_C     24   26   68     15   21   23   23   23   24   24   26   38   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     L    11_C     L    11_C     24   26   68     15   21   23   23   23   24   24   24   27   45   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     D    12_C     D    12_C     24   26   68     15   21   23   23   23   24   24   24   27   44   55   59   66   69   69   71   76   79   81   83 
LCS_GDT     T    13_C     T    13_C     24   26   68     15   21   23   23   23   24   24   27   38   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     L    14_C     L    14_C     24   26   68     15   21   23   23   23   24   24   25   37   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     L    15_C     L    15_C     24   26   68     15   21   23   23   23   24   24   25   34   45   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     T    16_C     T    16_C     24   26   68     15   21   23   23   23   24   24   27   38   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     M    17_C     M    17_C     24   26   68     15   21   23   23   23   24   24   24   38   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     V    18_C     V    18_C     24   26   68     15   21   23   23   23   24   24   25   35   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     E    19_C     E    19_C     24   26   68     15   21   23   23   23   24   24   25   38   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     W    20_C     W    20_C     24   26   68     15   21   23   23   23   24   24   27   38   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     V    21_C     V    21_C     24   26   68     15   21   23   23   23   24   24   24   30   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     K    22_C     K    22_C     24   26   68     15   21   23   23   23   24   24   25   38   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     E    23_C     E    23_C     24   26   68     15   21   23   23   23   24   24   27   38   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     L    24_C     L    24_C     24   26   68     15   21   23   23   23   24   24   24   27   31   49   60   66   69   69   71   76   79   81   83 
LCS_GDT     L    25_C     L    25_C     24   26   68     15   21   23   23   23   24   24   24   27   46   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     E    26_C     E    26_C     24   26   68     10   21   23   23   23   24   24   28   38   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     E    27_C     E    27_C     24   26   68      6   21   23   23   23   24   24   24   27   44   54   60   66   69   69   71   76   79   81   83 
LCS_GDT     S    28_C     S    28_C     24   26   68      6   16   23   23   23   24   24   24   26   30   34   60   65   69   69   71   76   79   81   83 
LCS_GDT     V    29_C     V    29_C     24   26   68      4    4    6   16   23   24   24   36   40   42   54   61   66   69   69   71   76   79   81   83 
LCS_GDT     E    30_C     E    30_C      4   25   68      4    4    4    4   13   20   25   31   38   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     K    31_C     K    31_C      4    4   68      4    4    7   10   16   21   28   36   38   42   52   61   66   69   69   71   76   78   81   83 
LCS_GDT     N    32_C     N    32_C      4   27   68      4    4    4    5   25   29   38   40   41   43   49   52   62   66   69   71   76   79   81   83 
LCS_GDT     S    33_C     S    33_C     23   28   68      4   21   21   23   23   32   39   41   46   49   52   61   66   69   69   71   76   79   81   83 
LCS_GDT     R    34_C     R    34_C     23   28   68     16   21   21   23   23   37   39   41   46   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     M    35_C     M    35_C     23   28   68     16   21   21   23   23   37   39   40   45   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     R    36_C     R    36_C     23   28   68     16   21   21   23   23   37   39   41   46   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     H    37_C     H    37_C     23   28   68     16   21   21   23   29   37   39   41   46   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     I    38_C     I    38_C     23   28   68     16   21   21   23   25   37   39   40   46   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     R    39_C     R    39_C     23   28   68     16   21   21   23   23   37   39   41   46   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     A    40_C     A    40_C     23   28   68     16   21   21   23   29   37   39   41   46   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     V    41_C     V    41_C     23   28   68     16   21   21   23   25   37   39   41   46   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     M    42_C     M    42_C     23   28   68     16   21   21   23   25   37   39   41   46   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     W    43_C     W    43_C     23   28   68     16   21   21   23   28   37   39   41   46   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     A    44_C     A    44_C     23   28   68     16   21   21   23   31   37   39   41   46   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     E    45_C     E    45_C     23   28   68     16   21   21   23   25   37   39   40   46   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     Y    46_C     Y    46_C     23   28   68     16   21   21   23   25   37   39   41   46   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     M    47_C     M    47_C     23   28   68     16   21   21   23   31   37   39   41   46   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     L    48_C     L    48_C     23   28   68     16   21   21   23   25   37   39   40   43   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     E    49_C     E    49_C     23   28   68     16   21   21   23   25   37   39   40   46   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     I    50_C     I    50_C     23   28   68     15   21   21   23   31   37   39   41   46   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     A    51_C     A    51_C     23   28   68     15   21   21   23   25   37   39   40   45   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     R    52_C     R    52_C     23   28   68     15   21   21   23   23   34   39   40   42   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     S    53_C     S    53_C     23   28   68      4   21   21   23   25   37   39   41   46   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     L    54_C     L    54_C     23   28   68      3    8   20   23   25   37   39   40   41   48   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     E    55_C     E    55_C     23   28   68      4    7   13   23   25   37   39   40   41   48   55   61   66   69   69   71   76   78   81   83 
LCS_GDT     D    56_C     D    56_C     16   28   68      4   15   15   27   33   37   39   40   42   48   55   61   66   69   69   71   73   76   79   83 
LCS_GDT     E    57_C     E    57_C     16   28   68     11   15   15   16   25   37   39   40   41   48   55   61   66   69   69   71   73   74   76   79 
LCS_GDT     K    58_C     K    58_C     16   28   68     11   15   15   16   25   37   39   40   41   48   55   61   66   69   69   71   73   74   76   79 
LCS_GDT     I    59_C     I    59_C     16   28   68     11   15   15   16   25   37   39   40   42   48   55   61   66   69   69   71   73   74   77   83 
LCS_GDT     L    60_C     L    60_C     16   28   68     11   15   15   19   25   37   39   40   42   48   55   61   66   69   69   71   73   74   77   81 
LCS_GDT     E    61_C     E    61_C     16   22   68     11   15   15   16   25   37   39   40   41   48   55   61   66   69   69   71   73   74   76   79 
LCS_GDT     I    62_C     I    62_C     16   22   68     11   15   15   16   25   37   39   40   41   48   55   61   66   69   69   71   73   74   76   79 
LCS_GDT     A    63_C     A    63_C     16   22   68     11   15   25   31   34   37   39   40   42   48   55   61   66   69   69   71   73   74   78   83 
LCS_GDT     E    64_C     E    64_C     16   22   68     11   15   15   16   25   37   39   40   41   48   55   61   66   69   69   71   73   74   76   79 
LCS_GDT     K    65_C     K    65_C     16   22   68     11   15   15   16   25   37   39   40   41   46   54   61   66   69   69   71   73   74   74   79 
LCS_GDT     L    66_C     L    66_C     16   22   68     11   15   15   16   25   37   39   40   42   48   55   61   66   69   69   71   73   74   76   83 
LCS_GDT     E    67_C     E    67_C     16   21   68     11   15   15   16   23   37   39   40   42   48   55   61   66   69   69   71   73   74   76   81 
LCS_GDT     K    68_C     K    68_C     16   21   68     11   15   15   16   24   37   39   40   41   46   52   61   66   69   69   71   73   74   74   76 
LCS_GDT     A    69_C     A    69_C     16   21   68      9   15   15   16   24   37   39   40   41   46   52   60   66   69   69   71   73   74   74   76 
LCS_GDT     L    70_C     L    70_C     16   21   68      8   15   22   31   34   37   39   40   42   46   52   61   66   69   69   71   73   74   75   83 
LCS_GDT     P    71_C     P    71_C     16   20   68      3    3    9   14   22   37   39   40   41   46   52   61   66   69   69   71   73   74   74   77 
LCS_GDT     E    72_C     E    72_C      5   18   67      4    4    5    5    8   13   19   32   35   40   46   49   51   52   56   62   67   72   74   75 
LCS_GDT     K    73_C     K    73_C      5    5   57      4    4    5   11   23   35   37   39   42   43   45   49   51   52   54   59   61   64   70   71 
LCS_GDT     S    74_C     S    74_C      5    5   57      4    4    5    5    5    6    8   17   27   40   41   43   50   52   56   62   68   72   74   75 
LCS_GDT     K    75_C     K    75_C      5   35   57      4    4    5    5   17   19   27   40   42   43   47   57   63   66   69   71   71   73   74   76 
LCS_GDT     M    76_C     M    76_C      5   35   57      3   22   30   31   34   35   37   39   42   46   52   60   66   69   69   71   73   74   77   83 
LCS_GDT     F    77_C     F    77_C      3   35   57      3    3    3    4    6    9   22   37   40   42   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     T    78_C     T    78_C     32   35   57      8   28   30   31   34   35   37   39   42   49   55   61   66   69   69   71   76   79   81   83 
LCS_GDT     K    79_C     K    79_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   55   61   66   68   70   76   79   81   83 
LCS_GDT     E    80_C     E    80_C     32   35   57      7   23   30   31   34   35   38   41   46   49   52   53   54   57   65   70   76   79   81   83 
LCS_GDT     E    81_C     E    81_C     32   35   57     12   28   30   31   34   35   37   39   43   49   52   56   63   66   68   71   76   79   81   83 
LCS_GDT     Y    82_C     Y    82_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   59   63   66   68   71   76   79   81   83 
LCS_GDT     E    83_C     E    83_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     K    84_C     K    84_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   57   65   70   76   79   81   83 
LCS_GDT     L    85_C     L    85_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   55   63   66   68   71   76   79   81   83 
LCS_GDT     M    86_C     M    86_C     32   35   57     12   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     E    87_C     E    87_C     32   35   57     12   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     V    88_C     V    88_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     L    89_C     L    89_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     E    90_C     E    90_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     E    91_C     E    91_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     L    92_C     L    92_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     E    93_C     E    93_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     E    94_C     E    94_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     V    95_C     V    95_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     L    96_C     L    96_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     E    97_C     E    97_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   56   62   70   76   79   81   83 
LCS_GDT     E    98_C     E    98_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     K    99_C     K    99_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     K   100_C     K   100_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     E   101_C     E   101_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   56   62   70   76   79   81   83 
LCS_GDT     E   102_C     E   102_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     V   103_C     V   103_C     32   35   57     15   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     E   104_C     E   104_C     32   35   57     14   28   30   31   34   35   38   41   46   49   52   53   54   56   62   68   76   79   81   83 
LCS_GDT     E   105_C     E   105_C     32   35   57     14   28   30   31   34   35   38   41   46   49   52   53   54   56   61   70   76   79   81   83 
LCS_GDT     R   106_C     R   106_C     32   35   57     14   28   30   31   34   35   38   41   46   49   52   53   54   57   63   70   76   79   81   83 
LCS_GDT     I   107_C     I   107_C     32   35   57     10   24   30   31   34   35   38   41   46   49   52   53   54   57   62   70   76   79   81   83 
LCS_GDT     E   108_C     E   108_C     32   35   57      3   13   26   31   34   35   38   41   46   49   52   53   54   55   59   65   71   76   81   83 
LCS_GDT     G   109_C     G   109_C     32   35   57      3    3   29   30   33   35   38   41   45   49   52   53   54   55   59   63   68   75   81   83 
LCS_AVERAGE  LCS_A:  35.21  (  20.92   25.87   58.85 )

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     16     28     30     31     34     37     39     41     46     49     55     61     66     69     69     71     76     79     81     83 
GDT PERCENT_AT  14.81  25.93  27.78  28.70  31.48  34.26  36.11  37.96  42.59  45.37  50.93  56.48  61.11  63.89  63.89  65.74  70.37  73.15  75.00  76.85
GDT RMS_LOCAL    0.27   0.58   0.68   0.76   1.25   2.43   2.51   2.47   2.86   3.00   4.27   4.49   4.69   4.82   4.82   4.96   6.06   6.22   6.27   6.38
GDT RMS_ALL_AT  11.08  12.40  12.29  12.20  13.69  12.80  12.79  10.48  10.62  10.58  11.70  12.08  12.08  12.02  11.98  12.09   9.49   9.46   9.64   9.55

# Checking swapping
#   possible swapping detected:  D    12_C      D    12_C
#   possible swapping detected:  E    26_C      E    26_C
#   possible swapping detected:  E    30_C      E    30_C
#   possible swapping detected:  E    45_C      E    45_C
#   possible swapping detected:  Y    46_C      Y    46_C
#   possible swapping detected:  E    57_C      E    57_C
#   possible swapping detected:  E    64_C      E    64_C
#   possible swapping detected:  E    72_C      E    72_C
#   possible swapping detected:  F    77_C      F    77_C
#   possible swapping detected:  E    80_C      E    80_C
#   possible swapping detected:  E    81_C      E    81_C
#   possible swapping detected:  E    83_C      E    83_C
#   possible swapping detected:  E    90_C      E    90_C
#   possible swapping detected:  E    91_C      E    91_C
#   possible swapping detected:  E    94_C      E    94_C
#   possible swapping detected:  E    97_C      E    97_C
#   possible swapping detected:  E   101_C      E   101_C
#   possible swapping detected:  E   104_C      E   104_C
#   possible swapping detected:  E   105_C      E   105_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     2_C      L     2_C    17.091     0    0.594   0.679    17.970    0.000    0.000
LGA    P     3_C      P     3_C    16.058     0    0.607   0.615    16.358    0.000    0.000
LGA    D     4_C      D     4_C    18.698     0    0.070   1.352    23.456    0.000    0.000
LGA    E     5_C      E     5_C    18.830     0    0.587   1.299    26.255    0.000    0.000
LGA    E     6_C      E     6_C    14.328     0    0.506   1.377    16.395    0.000    0.000
LGA    K     7_C      K     7_C    13.431     0    0.064   1.160    17.221    0.000    0.000
LGA    L     8_C      L     8_C    12.459     0    0.021   1.033    14.560    0.000    0.000
LGA    K     9_C      K     9_C    11.995     0    0.036   0.677    13.896    0.000    0.000
LGA    L    10_C      L    10_C    13.100     0    0.034   0.460    14.072    0.000    0.000
LGA    L    11_C      L    11_C    13.096     0    0.037   0.149    13.979    0.000    0.000
LGA    D    12_C      D    12_C    12.182     0    0.045   1.042    15.271    0.000    0.000
LGA    T    13_C      T    13_C    12.510     0    0.043   0.085    12.955    0.000    0.000
LGA    L    14_C      L    14_C    13.152     0    0.020   0.130    13.968    0.000    0.000
LGA    L    15_C      L    15_C    12.498     0    0.032   0.254    13.083    0.000    0.000
LGA    T    16_C      T    16_C    11.690     0    0.038   0.955    12.224    0.000    0.204
LGA    M    17_C      M    17_C    12.438     0    0.090   0.527    13.446    0.000    0.000
LGA    V    18_C      V    18_C    12.891     0    0.056   1.174    14.135    0.000    0.000
LGA    E    19_C      E    19_C    11.366     0    0.033   0.902    11.834    0.000    0.582
LGA    W    20_C      W    20_C    11.278     0    0.026   1.617    12.953    0.000    0.000
LGA    V    21_C      V    21_C    12.267     0    0.023   1.228    13.100    0.000    0.000
LGA    K    22_C      K    22_C    11.736     0    0.019   1.230    16.418    0.000    0.000
LGA    E    23_C      E    23_C    10.630     0    0.038   0.911    11.019    0.000    2.646
LGA    L    24_C      L    24_C    11.270     0    0.054   1.349    13.918    0.000    0.000
LGA    L    25_C      L    25_C    11.746     0    0.130   0.159    13.767    0.000    0.000
LGA    E    26_C      E    26_C    10.178     0    0.050   0.364    10.704    0.476    0.476
LGA    E    27_C      E    27_C     9.968     0    0.147   0.138    10.240    0.119    0.317
LGA    S    28_C      S    28_C    10.460     0    0.220   0.292    12.212    1.548    1.032
LGA    V    29_C      V    29_C    10.779     0    0.584   0.593    14.988    0.476    0.272
LGA    E    30_C      E    30_C    10.392     0    0.033   1.021    15.916    0.000    0.000
LGA    K    31_C      K    31_C    11.867     0    0.149   0.614    21.810    0.000    0.000
LGA    N    32_C      N    32_C     8.415     0    0.391   0.915    10.719    8.333    4.345
LGA    S    33_C      S    33_C     3.457     0    0.623   0.846     4.632   43.690   42.540
LGA    R    34_C      R    34_C     4.905     0    0.084   1.360    13.429   30.238   14.329
LGA    M    35_C      M    35_C     6.679     0    0.058   1.452     8.198   18.333   17.440
LGA    R    36_C      R    36_C     4.351     0    0.050   1.072    11.175   43.929   21.861
LGA    H    37_C      H    37_C     1.958     0    0.034   1.479     6.026   61.190   44.143
LGA    I    38_C      I    38_C     5.572     0    0.056   0.084     8.954   27.738   16.964
LGA    R    39_C      R    39_C     5.499     0    0.058   1.234    14.260   33.214   14.848
LGA    A    40_C      A    40_C     1.509     0    0.014   0.014     2.744   73.214   74.857
LGA    V    41_C      V    41_C     3.805     0    0.024   0.027     6.556   42.262   34.286
LGA    M    42_C      M    42_C     5.195     0    0.040   1.015     9.336   32.976   20.952
LGA    W    43_C      W    43_C     2.296     0    0.029   0.364     9.171   69.405   36.088
LGA    A    44_C      A    44_C     2.822     0    0.034   0.032     4.114   52.619   50.762
LGA    E    45_C      E    45_C     5.421     0    0.059   0.104     9.716   30.238   16.243
LGA    Y    46_C      Y    46_C     3.452     0    0.067   1.086    12.438   55.714   26.944
LGA    M    47_C      M    47_C     1.810     0    0.022   0.285     5.988   61.429   49.821
LGA    L    48_C      L    48_C     5.552     0    0.024   0.046     8.469   26.548   17.381
LGA    E    49_C      E    49_C     5.329     0    0.025   0.918    10.244   33.214   18.571
LGA    I    50_C      I    50_C     1.226     0    0.012   0.082     2.850   67.024   69.167
LGA    A    51_C      A    51_C     4.989     0    0.054   0.061     6.616   27.381   26.190
LGA    R    52_C      R    52_C     6.970     0    0.143   1.984    14.846   15.476    6.537
LGA    S    53_C      S    53_C     3.736     0    0.170   0.747     4.397   38.690   50.079
LGA    L    54_C      L    54_C     6.842     0    0.099   0.183     9.454   10.952    8.869
LGA    E    55_C      E    55_C    10.904     0    0.265   1.153    14.153    0.357    0.952
LGA    D    56_C      D    56_C    14.050     0    0.058   0.766    17.139    0.000    0.000
LGA    E    57_C      E    57_C    18.598     0    0.104   0.181    21.250    0.000    0.000
LGA    K    58_C      K    58_C    19.826     0    0.050   0.828    26.810    0.000    0.000
LGA    I    59_C      I    59_C    14.434     0    0.087   1.008    16.252    0.000    0.000
LGA    L    60_C      L    60_C    14.560     0    0.055   0.113    16.221    0.000    0.000
LGA    E    61_C      E    61_C    19.450     0    0.056   1.050    22.625    0.000    0.000
LGA    I    62_C      I    62_C    17.429     0    0.065   0.210    19.605    0.000    0.000
LGA    A    63_C      A    63_C    12.702     0    0.022   0.021    14.104    0.000    0.000
LGA    E    64_C      E    64_C    17.566     0    0.013   0.380    24.851    0.000    0.000
LGA    K    65_C      K    65_C    19.538     0    0.032   0.095    26.127    0.000    0.000
LGA    L    66_C      L    66_C    14.069     0    0.026   0.173    15.829    0.000    0.595
LGA    E    67_C      E    67_C    14.431     0    0.079   1.105    16.408    0.000    0.000
LGA    K    68_C      K    68_C    19.674     0    0.052   1.291    24.758    0.000    0.000
LGA    A    69_C      A    69_C    18.168     0    0.200   0.206    18.389    0.000    0.000
LGA    L    70_C      L    70_C    13.899     0    0.598   0.584    16.055    0.000    0.000
LGA    P    71_C      P    71_C    15.662     0    0.533   0.780    17.856    0.000    0.000
LGA    E    72_C      E    72_C    21.206     0    0.625   0.887    28.359    0.000    0.000
LGA    K    73_C      K    73_C    17.974     0    0.109   0.147    19.520    0.000    0.000
LGA    S    74_C      S    74_C    15.950     0    0.141   0.155    16.973    0.000    0.000
LGA    K    75_C      K    75_C    17.007     0    0.365   0.342    22.058    0.000    0.000
LGA    M    76_C      M    76_C    12.749     0    0.057   0.776    13.963    0.000    0.060
LGA    F    77_C      F    77_C     9.598     0    0.347   0.749    13.842    4.405    1.732
LGA    T    78_C      T    78_C     5.295     0    0.482   1.311     8.730   24.286   15.986
LGA    K    79_C      K    79_C     1.925     0    0.066   0.613     8.180   73.690   55.873
LGA    E    80_C      E    80_C     3.235     0    0.076   0.161     7.634   53.690   35.026
LGA    E    81_C      E    81_C     4.538     0    0.055   1.062     7.462   38.810   27.407
LGA    Y    82_C      Y    82_C     2.958     0    0.026   0.388     4.981   63.214   45.476
LGA    E    83_C      E    83_C     1.026     0    0.010   0.132     4.269   83.690   63.810
LGA    K    84_C      K    84_C     3.049     0    0.031   1.134    11.601   57.262   32.698
LGA    L    85_C      L    85_C     2.860     0    0.031   0.270     6.074   64.881   46.548
LGA    M    86_C      M    86_C     1.880     0    0.055   0.286     4.502   77.143   59.702
LGA    E    87_C      E    87_C     2.152     0    0.043   0.800     5.816   70.952   53.968
LGA    V    88_C      V    88_C     2.836     0    0.038   0.085     5.152   64.881   50.612
LGA    L    89_C      L    89_C     2.083     0    0.034   1.380     7.664   72.976   48.988
LGA    E    90_C      E    90_C     1.999     0    0.066   0.872     8.070   77.143   46.772
LGA    E    91_C      E    91_C     2.402     0    0.030   0.124     6.700   68.810   45.873
LGA    L    92_C      L    92_C     2.468     0    0.026   0.998     6.700   68.810   50.238
LGA    E    93_C      E    93_C     1.738     0    0.063   0.784     5.046   81.548   61.481
LGA    E    94_C      E    94_C     1.707     0    0.069   0.115     4.418   77.262   59.312
LGA    V    95_C      V    95_C     2.752     0    0.054   0.072     5.195   64.881   50.612
LGA    L    96_C      L    96_C     2.338     0    0.043   1.369     7.884   72.976   49.583
LGA    E    97_C      E    97_C     1.810     0    0.053   1.052     4.100   77.143   59.947
LGA    E    98_C      E    98_C     2.387     0    0.048   0.844     7.541   68.810   42.275
LGA    K    99_C      K    99_C     2.363     0    0.049   1.282     7.843   70.833   43.598
LGA    K   100_C      K   100_C     1.753     0    0.047   0.874     3.653   79.286   65.503
LGA    E   101_C      E   101_C     1.664     0    0.012   0.074     4.689   79.405   58.942
LGA    E   102_C      E   102_C     2.443     0    0.021   0.787     4.025   66.786   57.831
LGA    V   103_C      V   103_C     2.323     0    0.017   0.115     4.194   72.976   60.340
LGA    E   104_C      E   104_C     1.362     0    0.046   0.356     4.668   85.952   62.698
LGA    E   105_C      E   105_C     2.112     0    0.019   0.129     4.781   70.952   53.651
LGA    R   106_C      R   106_C     2.423     0    0.015   0.734     5.312   70.833   49.697
LGA    I   107_C      I   107_C     1.424     0    0.082   0.601     3.393   90.714   75.893
LGA    E   108_C      E   108_C     1.730     0    0.124   1.012     7.437   75.238   50.317
LGA    G   109_C      G   109_C     3.133     0    0.522   0.522     6.167   42.262   42.262

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      108     432    432  100.00     908    908  100.00               108
SUMMARY(RMSD_GDC):     8.896          8.799                  9.705           28.882   21.435

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  115  108    4.0     41    2.47    39.583    36.876     1.593

LGA_LOCAL      RMSD:   2.474  Number of atoms:   41  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  10.476  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   8.896  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.038397 * X  +   0.407554 * Y  +   0.912373 * Z  + -17.881548
  Y_new =  -0.938821 * X  +   0.298015 * Y  +  -0.172633 * Z  +  -0.457539
  Z_new =  -0.342258 * X  +  -0.863184 * Y  +   0.371177 * Z  + -29.911310 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.611673  0.349319 -1.164690   [DEG:  -92.3421   20.0145  -66.7318 ]
ZXZ:  1.383794  1.190520 -2.764102   [DEG:   79.2856   68.2118 -158.3713 ]
 
# END of job
