
#######################################################
#                                                     #
#                        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:    70       2_C - 71_C        4.91    11.95
  LONGEST_CONTINUOUS_SEGMENT:    70       3_C - 72_C        4.99    12.08
  LCS_AVERAGE:     60.70

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      75_C - 109_C       1.86    13.56
  LCS_AVERAGE:     29.03

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      77_C - 109_C       0.95    12.37
  LCS_AVERAGE:     22.75

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     24   28   70      4    8   12   16   24   27   27   28   33   35   38   40   42   57   60   68   72   78   85   87 
LCS_GDT     P     3_C     P     3_C     26   28   70      4   11   18   23   26   27   27   30   33   35   38   45   52   57   72   73   74   76   84   87 
LCS_GDT     D     4_C     D     4_C     26   28   70      4   11   25   25   26   27   27   30   33   35   38   63   70   70   72   73   75   82   85   87 
LCS_GDT     E     5_C     E     5_C     26   28   70     13   24   25   25   26   27   27   30   40   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     E     6_C     E     6_C     26   28   70     13   24   25   25   26   27   27   30   40   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     K     7_C     K     7_C     26   28   70     13   24   25   25   26   27   27   30   33   44   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     L     8_C     L     8_C     26   28   70     13   24   25   25   26   27   27   30   39   51   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     K     9_C     K     9_C     26   28   70     14   24   25   25   26   27   27   30   41   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     L    10_C     L    10_C     26   28   70     14   24   25   25   26   27   27   30   40   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     L    11_C     L    11_C     26   28   70     14   24   25   25   26   27   27   30   40   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     D    12_C     D    12_C     26   28   70     14   24   25   25   26   27   27   30   41   52   60   63   70   70   72   76   78   82   85   87 
LCS_GDT     T    13_C     T    13_C     26   28   70     14   24   25   25   26   27   27   30   41   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     L    14_C     L    14_C     26   28   70     14   24   25   25   26   27   27   30   40   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     L    15_C     L    15_C     26   28   70     14   24   25   25   26   27   27   30   41   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     T    16_C     T    16_C     26   28   70     14   24   25   25   26   27   27   30   41   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     M    17_C     M    17_C     26   28   70     14   24   25   25   26   27   27   30   41   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     V    18_C     V    18_C     26   28   70     14   24   25   25   26   27   27   30   41   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     E    19_C     E    19_C     26   28   70     14   24   25   25   26   27   27   30   41   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     W    20_C     W    20_C     26   28   70     14   24   25   25   26   27   27   30   39   51   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     V    21_C     V    21_C     26   28   70     10   24   25   25   26   27   27   30   39   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     K    22_C     K    22_C     26   28   70     14   24   25   25   26   27   27   30   41   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     E    23_C     E    23_C     26   28   70     14   24   25   25   26   27   27   30   41   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     L    24_C     L    24_C     26   28   70     12   24   25   25   26   27   27   30   33   44   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     L    25_C     L    25_C     26   28   70      7   24   25   25   26   27   27   30   39   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     E    26_C     E    26_C     26   28   70      6   24   25   25   26   27   27   30   41   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     E    27_C     E    27_C     26   28   70      6   24   25   25   26   27   27   30   33   51   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     S    28_C     S    28_C     26   28   70      9   24   25   25   26   27   27   29   32   35   37   63   70   70   72   76   78   82   85   87 
LCS_GDT     V    29_C     V    29_C     24   28   70      4    6   11   18   24   27   27   29   39   51   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     E    30_C     E    30_C      4   28   70      3    4    4    5   17   21   25   30   41   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     K    31_C     K    31_C      4   26   70      3    8   11   13   19   23   30   36   41   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     N    32_C     N    32_C      4   31   70      3    4   11   23   30   37   39   40   41   46   51   60   65   70   71   76   78   82   85   87 
LCS_GDT     S    33_C     S    33_C     23   31   70      4   17   21   23   24   37   39   41   47   49   55   64   70   70   72   76   78   82   85   87 
LCS_GDT     R    34_C     R    34_C     23   33   70     16   20   21   23   33   38   39   41   47   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     M    35_C     M    35_C     23   33   70     16   20   21   23   33   38   39   40   42   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     R    36_C     R    36_C     23   33   70     16   20   21   23   29   38   39   41   47   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     H    37_C     H    37_C     23   33   70     16   20   21   23   33   38   39   41   47   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     I    38_C     I    38_C     23   33   70     16   20   21   23   33   38   39   40   47   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     R    39_C     R    39_C     23   33   70     16   20   21   23   33   38   39   40   47   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     A    40_C     A    40_C     23   33   70     16   20   21   23   33   38   39   41   47   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     V    41_C     V    41_C     23   33   70     16   20   21   23   33   38   39   41   47   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     M    42_C     M    42_C     23   33   70     16   20   21   23   33   38   39   41   47   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     W    43_C     W    43_C     23   33   70     11   20   21   23   33   38   39   41   47   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     A    44_C     A    44_C     23   33   70     13   20   21   23   33   38   39   41   47   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     E    45_C     E    45_C     23   33   70     16   20   21   23   33   38   39   40   47   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     Y    46_C     Y    46_C     23   33   70     16   20   21   23   33   38   39   41   47   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     M    47_C     M    47_C     23   33   70     16   20   21   23   33   38   39   41   47   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     L    48_C     L    48_C     23   33   70     16   20   21   23   33   38   39   40   43   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     E    49_C     E    49_C     23   33   70     16   20   21   23   32   38   39   40   47   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     I    50_C     I    50_C     23   33   70     16   20   21   23   33   38   39   41   47   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     A    51_C     A    51_C     23   33   70     16   20   21   23   33   38   39   40   42   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     R    52_C     R    52_C     23   33   70     16   20   21   23   32   38   39   40   42   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     S    53_C     S    53_C     23   33   70     12   20   21   23   32   38   39   41   47   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     L    54_C     L    54_C     23   33   70      4   10   21   23   33   38   39   40   42   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     E    55_C     E    55_C     23   33   70      5    9   20   23   33   38   39   40   42   53   61   64   70   70   72   73   77   82   84   87 
LCS_GDT     D    56_C     D    56_C     16   33   70      5   13   15   23   33   38   39   40   42   53   61   64   70   70   72   73   74   77   82   87 
LCS_GDT     E    57_C     E    57_C     16   33   70     11   14   15   23   33   38   39   40   42   53   61   64   70   70   72   73   74   76   76   78 
LCS_GDT     K    58_C     K    58_C     16   33   70     11   14   15   23   33   38   39   40   42   53   61   64   70   70   72   73   74   76   76   78 
LCS_GDT     I    59_C     I    59_C     16   33   70     11   14   15   23   33   38   39   40   42   53   61   64   70   70   72   73   74   77   82   87 
LCS_GDT     L    60_C     L    60_C     16   33   70     11   14   15   23   33   38   39   40   42   53   61   64   70   70   72   73   74   76   76   81 
LCS_GDT     E    61_C     E    61_C     16   33   70     11   14   15   23   33   38   39   40   42   53   61   64   70   70   72   73   74   76   76   78 
LCS_GDT     I    62_C     I    62_C     16   33   70      9   14   15   23   33   38   39   40   42   53   61   64   70   70   72   73   74   76   76   78 
LCS_GDT     A    63_C     A    63_C     16   33   70     11   14   15   23   33   38   39   40   42   53   61   64   70   70   72   73   74   78   82   87 
LCS_GDT     E    64_C     E    64_C     16   33   70     11   14   15   23   33   38   39   40   42   53   61   64   70   70   72   73   74   76   76   78 
LCS_GDT     K    65_C     K    65_C     16   33   70     11   14   15   23   33   38   39   40   42   46   60   64   70   70   72   73   74   76   76   77 
LCS_GDT     L    66_C     L    66_C     16   33   70     11   14   15   23   33   38   39   40   42   53   61   64   70   70   72   73   74   76   78   87 
LCS_GDT     E    67_C     E    67_C     16   31   70      9   14   15   18   33   38   39   40   42   53   61   64   70   70   72   73   74   76   76   78 
LCS_GDT     K    68_C     K    68_C     16   30   70      9   14   15   18   33   38   39   40   42   45   55   63   70   70   72   73   74   76   76   77 
LCS_GDT     A    69_C     A    69_C     16   30   70     11   14   15   18   33   38   39   40   42   44   55   63   70   70   72   73   74   76   76   77 
LCS_GDT     L    70_C     L    70_C     16   30   70     11   14   15   22   33   38   39   40   42   50   61   64   70   70   72   73   74   76   81   87 
LCS_GDT     P    71_C     P    71_C     16   23   70      3    3   10   17   27   38   39   40   42   45   56   64   70   70   72   73   74   76   76   77 
LCS_GDT     E    72_C     E    72_C      5   18   70      4    4    4    5   10   15   21   31   35   42   46   49   51   52   53   64   67   73   76   77 
LCS_GDT     K    73_C     K    73_C      5    5   64      4    4    4    5    6    7   10   14   20   38   43   45   47   50   53   64   67   75   76   77 
LCS_GDT     S    74_C     S    74_C      5    5   62      4    4    4    5    6    7   10   17   42   42   45   47   52   60   69   73   74   75   76   77 
LCS_GDT     K    75_C     K    75_C      5   35   62      4    4    4    5   12   18   25   35   42   43   46   49   60   70   72   73   74   75   76   77 
LCS_GDT     M    76_C     M    76_C     24   35   62      3   10   17   28   33   35   36   38   42   45   55   63   70   70   72   73   74   76   81   87 
LCS_GDT     F    77_C     F    77_C     33   35   62      3    3   27   33   33   34   36   40   41   53   61   64   70   70   72   76   77   82   85   87 
LCS_GDT     T    78_C     T    78_C     33   35   62      6   15   23   33   33   35   36   38   43   53   61   64   70   70   72   76   78   82   85   87 
LCS_GDT     K    79_C     K    79_C     33   35   56      8   21   31   33   33   35   36   41   47   49   54   59   64   67   71   76   78   82   85   87 
LCS_GDT     E    80_C     E    80_C     33   35   56      8   21   31   33   33   35   36   41   47   49   51   54   56   63   71   76   78   82   85   87 
LCS_GDT     E    81_C     E    81_C     33   35   56      7   23   31   33   33   35   36   38   43   49   51   59   63   67   71   76   78   82   85   87 
LCS_GDT     Y    82_C     Y    82_C     33   35   56      8   27   31   33   33   35   36   41   47   51   54   61   64   67   71   76   78   82   85   87 
LCS_GDT     E    83_C     E    83_C     33   35   56     12   27   31   33   33   35   36   41   47   49   51   54   56   63   71   76   78   82   85   87 
LCS_GDT     K    84_C     K    84_C     33   35   56     14   27   31   33   33   35   36   41   47   49   51   54   56   63   71   76   78   82   85   87 
LCS_GDT     L    85_C     L    85_C     33   35   56      9   27   31   33   33   35   36   41   47   49   54   59   62   67   71   76   78   82   85   87 
LCS_GDT     M    86_C     M    86_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   56   63   71   76   78   82   85   87 
LCS_GDT     E    87_C     E    87_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   55   63   71   76   78   82   85   87 
LCS_GDT     V    88_C     V    88_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   56   63   71   76   78   82   85   87 
LCS_GDT     L    89_C     L    89_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   56   63   71   76   78   82   85   87 
LCS_GDT     E    90_C     E    90_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   55   60   71   76   78   82   85   87 
LCS_GDT     E    91_C     E    91_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   55   63   71   76   78   82   85   87 
LCS_GDT     L    92_C     L    92_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   56   63   71   76   78   82   85   87 
LCS_GDT     E    93_C     E    93_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   55   61   71   76   78   82   85   87 
LCS_GDT     E    94_C     E    94_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   55   60   71   76   78   82   85   87 
LCS_GDT     V    95_C     V    95_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   55   63   71   76   78   82   85   87 
LCS_GDT     L    96_C     L    96_C     33   35   56     14   27   31   33   33   35   36   41   47   49   51   54   55   63   71   76   78   82   85   87 
LCS_GDT     E    97_C     E    97_C     33   35   56     14   27   31   33   33   35   36   41   47   49   51   54   55   58   67   75   78   82   85   87 
LCS_GDT     E    98_C     E    98_C     33   35   56     14   27   31   33   33   35   36   41   47   49   51   54   55   60   71   76   78   82   85   87 
LCS_GDT     K    99_C     K    99_C     33   35   56     17   27   31   33   33   35   36   41   47   49   51   54   55   63   71   76   78   82   85   87 
LCS_GDT     K   100_C     K   100_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   55   60   71   76   78   82   85   87 
LCS_GDT     E   101_C     E   101_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   55   58   67   75   78   82   85   87 
LCS_GDT     E   102_C     E   102_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   55   60   71   76   78   82   85   87 
LCS_GDT     V   103_C     V   103_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   55   63   71   76   78   82   85   87 
LCS_GDT     E   104_C     E   104_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   55   58   65   75   78   82   85   87 
LCS_GDT     E   105_C     E   105_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   55   58   67   75   78   82   85   87 
LCS_GDT     R   106_C     R   106_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   55   61   71   76   78   82   85   87 
LCS_GDT     I   107_C     I   107_C     33   35   56     18   27   31   33   33   35   36   41   47   49   51   54   55   58   69   75   78   82   85   87 
LCS_GDT     E   108_C     E   108_C     33   35   56     14   27   31   33   33   35   36   41   47   49   51   54   55   58   61   70   76   79   85   87 
LCS_GDT     G   109_C     G   109_C     33   35   56      3   27   31   33   33   35   36   41   47   49   51   54   55   58   67   75   78   82   85   87 
LCS_AVERAGE  LCS_A:  37.49  (  22.75   29.03   60.70 )

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     18     27     31     33     33     38     39     41     47     53     61     64     70     70     72     76     78     82     85     87 
GDT PERCENT_AT  16.67  25.00  28.70  30.56  30.56  35.19  36.11  37.96  43.52  49.07  56.48  59.26  64.81  64.81  66.67  70.37  72.22  75.93  78.70  80.56
GDT RMS_LOCAL    0.27   0.52   0.80   0.95   0.95   2.16   2.20   2.67   3.04   4.05   4.31   4.45   4.70   4.70   4.85   6.05   6.02   6.26   6.44   6.56
GDT RMS_ALL_AT  12.22  12.23  12.26  12.37  12.37  13.10  13.12  10.44  10.58  11.66  11.59  11.76  11.92  11.92  12.05   9.22   9.52   9.40   9.43   9.39

# Checking swapping
#   possible swapping detected:  D     4_C      D     4_C
#   possible swapping detected:  E     5_C      E     5_C
#   possible swapping detected:  E     6_C      E     6_C
#   possible swapping detected:  D    12_C      D    12_C
#   possible swapping detected:  E    26_C      E    26_C
#   possible swapping detected:  E    27_C      E    27_C
#   possible swapping detected:  E    30_C      E    30_C
#   possible swapping detected:  E    45_C      E    45_C
#   possible swapping detected:  E    49_C      E    49_C
#   possible swapping detected:  D    56_C      D    56_C
#   possible swapping detected:  E    57_C      E    57_C
#   possible swapping detected:  E    61_C      E    61_C
#   possible swapping detected:  E    64_C      E    64_C
#   possible swapping detected:  E    72_C      E    72_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
#   possible swapping detected:  E   108_C      E   108_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     2_C      L     2_C    14.667     0    0.605   0.665    16.610    0.000    0.000
LGA    P     3_C      P     3_C    15.825     0    0.076   0.610    16.315    0.000    0.000
LGA    D     4_C      D     4_C    15.064     0    0.119   1.018    16.137    0.000    0.000
LGA    E     5_C      E     5_C    14.824     0    0.075   1.220    20.960    0.000    0.000
LGA    E     6_C      E     6_C    14.426     0    0.062   0.602    15.512    0.000    0.000
LGA    K     7_C      K     7_C    13.667     0    0.031   0.869    15.929    0.000    0.000
LGA    L     8_C      L     8_C    13.283     0    0.093   0.114    13.860    0.000    0.000
LGA    K     9_C      K     9_C    13.368     0    0.019   0.691    14.273    0.000    0.000
LGA    L    10_C      L    10_C    12.941     0    0.037   0.431    13.229    0.000    0.000
LGA    L    11_C      L    11_C    12.184     0    0.093   0.147    12.599    0.000    0.000
LGA    D    12_C      D    12_C    12.381     0    0.056   0.237    12.806    0.000    0.000
LGA    T    13_C      T    13_C    12.330     0    0.056   1.097    12.717    0.000    0.000
LGA    L    14_C      L    14_C    12.026     0    0.061   0.149    12.078    0.000    0.000
LGA    L    15_C      L    15_C    12.020     0    0.028   1.371    13.940    0.000    0.000
LGA    T    16_C      T    16_C    12.058     0    0.039   0.983    13.233    0.000    0.000
LGA    M    17_C      M    17_C    11.885     0    0.091   0.290    11.945    0.000    0.000
LGA    V    18_C      V    18_C    11.279     0    0.041   0.054    11.617    0.000    0.000
LGA    E    19_C      E    19_C    11.416     0    0.087   1.088    11.482    0.000    0.159
LGA    W    20_C      W    20_C    11.638     0    0.038   1.621    12.566    0.000    0.000
LGA    V    21_C      V    21_C    10.871     0    0.037   0.057    11.235    0.000    0.000
LGA    K    22_C      K    22_C    10.807     0    0.081   0.738    12.412    0.000    0.000
LGA    E    23_C      E    23_C    11.105     0    0.066   0.915    11.530    0.000    0.106
LGA    L    24_C      L    24_C    10.582     0    0.051   1.367    12.708    0.000    0.060
LGA    L    25_C      L    25_C     9.720     0    0.079   0.972    10.081    0.595    0.774
LGA    E    26_C      E    26_C     9.527     0    0.058   0.866    13.416    0.714    0.370
LGA    E    27_C      E    27_C     9.903     0    0.045   0.103    10.558    0.476    0.212
LGA    S    28_C      S    28_C    10.148     0    0.055   0.166    10.861    0.476    0.317
LGA    V    29_C      V    29_C     9.442     0    0.592   0.670    13.072    7.857    4.490
LGA    E    30_C      E    30_C     7.768     0    0.056   1.013    14.047    8.810    3.968
LGA    K    31_C      K    31_C     8.894     0    0.286   0.998    19.139    3.452    1.534
LGA    N    32_C      N    32_C     7.391     0    0.477   1.080     9.655   18.690    9.821
LGA    S    33_C      S    33_C     3.268     0    0.528   0.806     4.973   47.143   49.286
LGA    R    34_C      R    34_C     4.181     0    0.122   1.093    12.845   35.833   17.100
LGA    M    35_C      M    35_C     6.284     0    0.044   0.997     9.523   22.738   12.857
LGA    R    36_C      R    36_C     4.143     0    0.051   1.483     8.405   45.714   28.312
LGA    H    37_C      H    37_C     2.271     0    0.045   1.476     6.564   57.381   38.619
LGA    I    38_C      I    38_C     5.327     0    0.039   0.097     8.773   28.929   17.976
LGA    R    39_C      R    39_C     5.158     0    0.058   0.989     8.827   36.071   22.814
LGA    A    40_C      A    40_C     1.608     0    0.040   0.039     2.477   70.833   71.238
LGA    V    41_C      V    41_C     3.758     0    0.059   0.071     6.191   42.262   34.830
LGA    M    42_C      M    42_C     5.053     0    0.050   1.242    11.129   34.405   21.310
LGA    W    43_C      W    43_C     2.324     0    0.057   1.002     7.632   67.262   37.857
LGA    A    44_C      A    44_C     3.173     0    0.063   0.060     4.228   48.810   46.476
LGA    E    45_C      E    45_C     5.518     0    0.046   0.130    10.023   27.619   14.868
LGA    Y    46_C      Y    46_C     3.437     0    0.030   0.468     6.317   55.714   38.571
LGA    M    47_C      M    47_C     2.053     0    0.029   0.656     6.717   57.738   45.536
LGA    L    48_C      L    48_C     5.670     0    0.015   1.390    10.814   24.286   15.952
LGA    E    49_C      E    49_C     5.331     0    0.040   1.070    11.390   30.238   16.931
LGA    I    50_C      I    50_C     1.789     0    0.024   0.079     3.273   57.500   63.274
LGA    A    51_C      A    51_C     5.530     0    0.052   0.049     7.155   21.429   20.571
LGA    R    52_C      R    52_C     7.228     0    0.132   1.412    12.603   11.310    5.368
LGA    S    53_C      S    53_C     4.564     0    0.171   0.738     5.247   27.500   40.000
LGA    L    54_C      L    54_C     7.215     0    0.087   0.211     9.681    8.690    7.440
LGA    E    55_C      E    55_C    11.042     0    0.083   1.106    13.986    0.357    1.005
LGA    D    56_C      D    56_C    14.559     0    0.057   0.943    16.597    0.000    0.000
LGA    E    57_C      E    57_C    19.705     0    0.096   0.861    25.996    0.000    0.000
LGA    K    58_C      K    58_C    20.362     0    0.011   0.832    27.158    0.000    0.000
LGA    I    59_C      I    59_C    14.296     0    0.250   1.054    16.351    0.000    0.000
LGA    L    60_C      L    60_C    15.428     0    0.070   1.154    17.760    0.000    0.000
LGA    E    61_C      E    61_C    20.487     0    0.049   0.120    28.008    0.000    0.000
LGA    I    62_C      I    62_C    17.549     0    0.033   0.200    19.594    0.000    0.000
LGA    A    63_C      A    63_C    12.832     0    0.021   0.020    14.603    0.000    0.000
LGA    E    64_C      E    64_C    18.592     0    0.053   0.973    24.040    0.000    0.000
LGA    K    65_C      K    65_C    20.223     0    0.037   0.087    26.979    0.000    0.000
LGA    L    66_C      L    66_C    14.239     0    0.041   1.375    16.193    0.000    0.000
LGA    E    67_C      E    67_C    15.789     0    0.068   0.767    21.028    0.000    0.000
LGA    K    68_C      K    68_C    21.213     0    0.068   1.264    28.377    0.000    0.000
LGA    A    69_C      A    69_C    18.377     0    0.190   0.200    19.046    0.000    0.000
LGA    L    70_C      L    70_C    13.916     0    0.612   0.583    16.158    0.000    0.179
LGA    P    71_C      P    71_C    17.506     0    0.555   0.860    19.004    0.000    0.000
LGA    E    72_C      E    72_C    21.584     0    0.636   0.906    28.747    0.000    0.000
LGA    K    73_C      K    73_C    16.752     0    0.082   0.249    18.708    0.000    0.000
LGA    S    74_C      S    74_C    17.486     0    0.135   0.601    21.411    0.000    0.000
LGA    K    75_C      K    75_C    18.952     0    0.622   0.806    25.307    0.000    0.000
LGA    M    76_C      M    76_C    13.736     0    0.544   0.625    15.643    0.000    0.000
LGA    F    77_C      F    77_C     9.027     0    0.674   1.207    10.090    9.405    4.589
LGA    T    78_C      T    78_C     7.283     0    0.074   1.162     9.724   15.595   10.680
LGA    K    79_C      K    79_C     2.957     0    0.038   0.605     6.055   57.976   55.873
LGA    E    80_C      E    80_C     3.516     0    0.072   0.823     8.550   46.667   28.254
LGA    E    81_C      E    81_C     4.979     0    0.056   1.055     6.369   34.286   27.989
LGA    Y    82_C      Y    82_C     3.778     0    0.059   0.273     6.588   54.048   35.119
LGA    E    83_C      E    83_C     0.673     0    0.032   0.090     3.336   83.690   70.847
LGA    K    84_C      K    84_C     2.980     0    0.063   1.153    11.909   62.857   35.026
LGA    L    85_C      L    85_C     2.881     0    0.040   0.224     6.171   64.881   46.548
LGA    M    86_C      M    86_C     2.029     0    0.045   0.812     7.771   72.976   52.976
LGA    E    87_C      E    87_C     2.333     0    0.055   0.830     5.866   67.024   52.222
LGA    V    88_C      V    88_C     2.834     0    0.026   0.144     5.073   64.881   51.497
LGA    L    89_C      L    89_C     1.652     0    0.028   0.107     4.949   79.286   60.060
LGA    E    90_C      E    90_C     2.635     0    0.055   0.832     8.544   62.976   38.254
LGA    E    91_C      E    91_C     3.232     0    0.053   0.874     6.185   55.357   38.413
LGA    L    92_C      L    92_C     2.290     0    0.023   1.425     6.294   70.952   59.226
LGA    E    93_C      E    93_C     1.711     0    0.046   0.806     6.055   77.262   57.090
LGA    E    94_C      E    94_C     2.832     0    0.044   0.144     6.479   62.976   42.963
LGA    V    95_C      V    95_C     3.029     0    0.049   0.056     5.402   61.071   47.687
LGA    L    96_C      L    96_C     2.275     0    0.038   0.177     5.203   70.833   52.857
LGA    E    97_C      E    97_C     2.157     0    0.042   0.148     6.434   72.976   48.783
LGA    E    98_C      E    98_C     2.299     0    0.043   0.881     7.497   68.810   43.016
LGA    K    99_C      K    99_C     2.502     0    0.046   1.199    10.755   66.905   39.312
LGA    K   100_C      K   100_C     1.866     0    0.031   0.877     4.565   77.143   60.159
LGA    E   101_C      E   101_C     1.759     0    0.022   0.066     5.147   77.143   55.344
LGA    E   102_C      E   102_C     2.695     0    0.021   0.786     4.764   62.976   52.434
LGA    V   103_C      V   103_C     2.751     0    0.042   0.095     4.651   62.857   51.088
LGA    E   104_C      E   104_C     2.055     0    0.040   0.425     5.802   72.976   51.587
LGA    E   105_C      E   105_C     1.929     0    0.027   0.117     5.350   75.000   53.598
LGA    R   106_C      R   106_C     2.724     0    0.042   1.062     7.997   62.976   40.649
LGA    I   107_C      I   107_C     2.707     0    0.073   0.203     6.047   66.905   49.583
LGA    E   108_C      E   108_C     1.501     0    0.444   0.433     6.445   77.143   51.693
LGA    G   109_C      G   109_C     2.461     0    0.555   0.555     2.461   73.214   73.214

# 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):     8.791          8.680                  9.576           27.712   20.637

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  115  108    4.0     41    2.67    40.972    38.658     1.481

LGA_LOCAL      RMSD:   2.668  Number of atoms:   41  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  10.442  Number of assigned atoms:  108 
Std_ASGN_ATOMS RMSD:   8.791  Standard rmsd on all 108 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.482711 * X  +   0.783547 * Y  +   0.391208 * Z  +  55.171284
  Y_new =   0.004835 * X  +   0.444306 * Y  +  -0.895862 * Z  +  -5.453898
  Z_new =  -0.875766 * X  +   0.434335 * Y  +   0.210683 * Z  +  -6.553394 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.010017  1.067021  1.119164   [DEG:    0.5739   61.1358   64.1234 ]
ZXZ:  0.411725  1.358523 -1.110395   [DEG:   23.5901   77.8376  -63.6210 ]
 
# END of job
