
#######################################################
#                                                     #
#                        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  128 ( 1049),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  864),  selected  105 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92      35_A - 126_A       4.96     7.46
  LCS_AVERAGE:     80.10

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      40_A - 62_A        1.90     8.21
  LONGEST_CONTINUOUS_SEGMENT:    23      98_A - 120_A       1.91     9.63
  LCS_AVERAGE:     15.06

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    14      46_A - 59_A        0.77    10.42
  LONGEST_CONTINUOUS_SEGMENT:    14     102_A - 115_A       0.98    10.55
  LCS_AVERAGE:      6.89

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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     N    22_A     N    22_A      3    7   23      3    3    3    5   13   13   17   18   18   28   28   32   37   51   57   63   74   78   80   83 
LCS_GDT     K    23_A     K    23_A      4   17   23      3    4    5    8   14   16   17   18   18   18   19   24   37   40   42   48   53   56   62   75 
LCS_GDT     V    24_A     V    24_A      4   17   23      3    4    5    8   11   14   17   24   29   50   58   61   67   74   77   83   84   84   87   89 
LCS_GDT     H    25_A     H    25_A      7   17   23      3   10   12   14   15   16   17   20   40   54   58   61   71   74   77   83   84   85   87   89 
LCS_GDT     I    26_A     I    26_A      7   17   23      3   10   12   14   31   39   50   61   65   71   75   78   80   84   87   89   90   91   92   93 
LCS_GDT     I    27_A     I    27_A      7   17   23      3    9   12   14   15   27   49   58   65   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     K    28_A     K    28_A      7   17   23      3   10   12   14   15   16   26   32   58   68   74   79   81   84   87   89   90   91   92   93 
LCS_GDT     C    29_A     C    29_A      7   17   23      4   10   12   14   15   16   17   18   18   19   20   21   28   52   62   79   87   89   89   91 
LCS_GDT     H    30_A     H    30_A      7   17   23      3   10   12   14   15   16   17   18   18   18   20   33   48   54   61   77   84   89   89   90 
LCS_GDT     F    31_A     F    31_A      7   17   23      3   10   12   14   15   16   17   18   18   18   20   21   22   22   23   31   35   37   46   57 
LCS_GDT     D    32_A     D    32_A      4   17   23      3    4    4   11   15   16   17   18   18   19   20   21   22   27   30   34   44   53   76   78 
LCS_GDT     K    33_A     K    33_A      6   17   23      4   10   12   14   15   16   17   18   18   19   20   21   22   23   26   31   37   43   53   59 
LCS_GDT     C    34_A     C    34_A      6   17   91      4   10   12   14   15   16   17   18   18   19   20   21   22   22   26   31   37   44   54   59 
LCS_GDT     N    35_A     N    35_A      6   17   92      4    6    7   14   15   16   17   18   18   19   32   58   65   74   80   84   87   89   91   93 
LCS_GDT     K    36_A     K    36_A      6   17   92      4   10   12   14   15   16   17   18   18   19   20   34   37   40   72   78   82   87   89   93 
LCS_GDT     S    37_A     S    37_A      6   17   92      4   10   12   14   15   16   18   31   53   65   73   77   81   84   87   89   90   91   92   93 
LCS_GDT     Y    38_A     Y    38_A      6   17   92      4   10   12   14   15   16   19   33   59   67   74   79   81   84   87   89   90   91   92   93 
LCS_GDT     N    39_A     N    39_A      5   17   92      3    7   21   32   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     W    40_A     W    40_A      3   23   92      1    3   19   27   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     R    41_A     R    41_A      4   23   92      4    4    6    9   24   46   57   63   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     K    42_A     K    42_A      4   23   92      4    9   20   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     K    43_A     K    43_A      4   23   92      4    7   16   30   43   50   57   63   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     Y    44_A     Y    44_A      4   23   92      4    5   16   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     G    45_A     G    45_A      3   23   92      3    3    4    6   13   33   54   61   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     K    46_A     K    46_A     14   23   92     10   13   20   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     L    47_A     L    47_A     14   23   92     10   13   21   32   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     R    48_A     R    48_A     14   23   92     10   13   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     L    49_A     L    49_A     14   23   92     10   13   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     V    50_A     V    50_A     14   23   92     10   13   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     D    51_A     D    51_A     14   23   92     10   13   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     H    52_A     H    52_A     14   23   92     10   13   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     A    53_A     A    53_A     14   23   92     10   13   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     F    54_A     F    54_A     14   23   92     10   13   20   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     T    55_A     T    55_A     14   23   92     10   13   19   27   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     H    56_A     H    56_A     14   23   92      4   13   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     V    57_A     V    57_A     14   23   92      4   13   20   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     P    58_A     P    58_A     14   23   92      3   13   20   27   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     H    59_A     H    59_A     14   23   92      3    5   15   27   37   47   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     L    60_A     L    60_A      6   23   92      4    9   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     K    61_A     K    61_A      6   23   92      3   10   20   27   39   48   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     M    62_A     M    62_A      6   23   92      3    6   19   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     K    63_A     K    63_A      6   22   92      3    5    7    9   20   36   41   62   64   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     C    64_A     C    64_A      6   20   92      3    4    7    9   20   40   54   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     N    65_A     N    65_A      3    6   92      3    3    7   13   27   44   54   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     F    66_A     F    66_A      3    6   92      3    3    5    6    8   10   24   32   51   65   73   79   81   84   87   89   90   91   92   93 
LCS_GDT     C    67_A     C    67_A      3    6   92      3    3    7   10   12   15   23   27   40   51   62   76   81   84   87   89   90   91   92   93 
LCS_GDT     D    68_A     D    68_A      3    6   92      3    3    5    6    7   12   15   20   22   30   33   46   70   76   81   87   90   91   92   93 
LCS_GDT     Y    69_A     Y    69_A      3    4   92      3    3    3    7   10   15   24   34   61   68   74   79   81   84   87   89   90   91   92   93 
LCS_GDT     M    70_A     M    70_A      3    5   92      1    4    9   16   30   45   54   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     C    71_A     C    71_A      3    5   92      3    6   10   16   30   45   54   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     K    72_A     K    72_A      3    5   92      3    5   12   27   39   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     G    73_A     G    73_A      3    5   92      3    3    4    9   13   20   32   48   60   70   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     I    74_A     I    74_A      3    5   92      3    3    3    9   13   15   21   23   29   50   56   71   78   84   87   89   90   91   92   93 
LCS_GDT     R    75_A     R    75_A      3    4   92      4    6   13   31   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     N    76_A     N    76_A      3    5   92      4    6   10   28   39   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     I    77_A     I    77_A      5    6   92      5    5   14   28   39   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     R    78_A     R    78_A      5    6   92      5    5    5   10   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     L    79_A     L    79_A      5    6   92      5    5    5   21   31   41   48   59   64   69   73   78   81   84   87   89   90   91   92   93 
LCS_GDT     H    80_A     H    80_A      5    6   92      5    7    8   12   21   30   43   50   58   65   72   76   81   84   87   89   90   91   92   93 
LCS_GDT     H    81_A     H    81_A      5    6   92      5    5    5    6    6   28   47   59   66   70   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     K    82_A     K    82_A      4    6   92      3    4    4    6    7   45   54   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     K    83_A     K    83_A      4    5   92      3    4    4    8   18   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     S    84_A     S    84_A      4    6   92      4    8   21   32   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     H    85_A     H    85_A      4    8   92      3   10   19   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     P    86_A     P    86_A      4    8   92      4    4    4    5    7   39   49   61   66   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     D    87_A     D    87_A      4    8   92      4    4    8   11   35   47   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     E    88_A     E    88_A      4    8   92      4    7   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     Q    89_A     Q    89_A      4    8   92      4   10   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     L    90_A     L    90_A      4    8   92      3   10   19   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     T    91_A     T    91_A      5    8   92      3   10   20   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     G    92_A     G    92_A      5    8   92      4    6   18   27   36   48   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     F    93_A     F    93_A      5    8   92      4    5    8   21   31   44   56   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     G    94_A     G    94_A      5    8   92      4   10   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     I    95_A     I    95_A      5    8   92      4    4    8   10   27   33   52   61   67   69   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     K    96_A     K    96_A      5    8   92      4    5   10   23   39   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     S    97_A     S    97_A      5    5   92      4    4    5    5   20   30   38   46   60   69   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     V    98_A     V    98_A      5   23   92      4    6    7   17   20   28   32   45   56   69   72   76   81   84   87   89   90   91   92   93 
LCS_GDT     V    99_A     V    99_A      6   23   92      4    7    9   22   36   49   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     R   100_A     R   100_A      6   23   92      4    7    8   22   36   50   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     T   101_A     T   101_A      6   23   92      4    7   14   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     S   102_A     S   102_A     14   23   92      4    7   15   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     K   103_A     K   103_A     14   23   92      3   10   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     K   104_A     K   104_A     14   23   92      4   10   17   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     G   105_A     G   105_A     14   23   92      8   10   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     K   106_A     K   106_A     14   23   92      8   10   14   27   39   49   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     D   107_A     D   107_A     14   23   92      8   10   14   28   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     L   108_A     L   108_A     14   23   92      8   10   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     A   109_A     A   109_A     14   23   92      8   10   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     K   110_A     K   110_A     14   23   92      8   10   18   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     V   111_A     V   111_A     14   23   92      8   10   14   27   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     W   112_A     W   112_A     14   23   92      5   10   20   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     D   113_A     D   113_A     14   23   92      8   10   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     E   114_A     E   114_A     14   23   92      5   10   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     C   115_A     C   115_A     14   23   92      3   10   21   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     F   116_A     F   116_A     10   23   92      3    6   16   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     K   117_A     K   117_A      7   23   92      3   10   20   33   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     K   118_A     K   118_A      7   23   92      3   10   20   27   43   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     N   119_A     N   119_A      5   23   92      3    4    9   24   39   51   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     R   120_A     R   120_A      5   23   92      3    9   15   23   36   46   57   65   67   71   75   79   81   84   87   89   90   91   92   93 
LCS_GDT     V   121_A     V   121_A      5   21   92      1    4    5    7   18   22   30   36   53   57   61   71   79   82   87   89   90   91   92   93 
LCS_GDT     L   122_A     L   122_A      4    8   92      3    3    5    5    6    7    8    9   20   25   35   42   70   73   79   85   90   91   92   93 
LCS_GDT     Q   123_A     Q   123_A      4    8   92      5    8   14   17   20   30   45   53   61   67   72   77   81   84   87   89   90   91   92   93 
LCS_GDT     H   124_A     H   124_A      3    8   92      3    5   14   17   20   23   30   36   53   57   65   71   79   82   87   89   90   91   92   93 
LCS_GDT     G   125_A     G   125_A      3    6   92      3    3    5    8   12   14   20   23   29   33   40   48   51   60   74   78   90   91   92   92 
LCS_GDT     S   126_A     S   126_A      3    3   92      0    3    3    3    3    3    8    9    9   10   11   11   12   14   52   66   71   73   81   83 
LCS_AVERAGE  LCS_A:  34.02  (   6.89   15.06   80.10 )

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     10     13     21     33     43     51     57     65     67     71     75     79     81     84     87     89     90     91     92     93 
GDT PERCENT_AT   9.52  12.38  20.00  31.43  40.95  48.57  54.29  61.90  63.81  67.62  71.43  75.24  77.14  80.00  82.86  84.76  85.71  86.67  87.62  88.57
GDT RMS_LOCAL    0.31   0.68   1.23   1.52   1.74   2.01   2.19   2.55   2.60   2.83   3.05   3.40   3.51   3.74   3.93   4.11   4.29   4.33   4.49   4.71
GDT RMS_ALL_AT   9.93  10.65   7.56   7.69   7.75   7.57   7.60   7.52   7.55   7.61   7.55   7.42   7.44   7.38   7.38   7.40   7.42   7.40   7.42   7.33

# Checking swapping
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  D    32_A      D    32_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  E   114_A      E   114_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    22_A      N    22_A    19.066     0    0.298   0.875    20.880    0.000    0.000
LGA    K    23_A      K    23_A    18.872     0    0.674   1.113    27.044    0.000    0.000
LGA    V    24_A      V    24_A    12.783     0    0.105   0.128    14.927    0.000    0.408
LGA    H    25_A      H    25_A    11.265     0    0.629   0.651    19.072    4.048    1.619
LGA    I    26_A      I    26_A     5.838     0    0.120   0.631     8.922   13.690   16.071
LGA    I    27_A      I    27_A     6.511     0    0.130   0.950    11.912   20.833   10.774
LGA    K    28_A      K    28_A     7.674     0    0.120   0.120    11.324    5.119   22.857
LGA    C    29_A      C    29_A    14.394     0    0.050   0.671    18.774    0.000    0.000
LGA    H    30_A      H    30_A    15.572     0    0.060   0.353    17.793    0.000    0.000
LGA    F    31_A      F    31_A    21.019     0    0.193   1.286    30.676    0.000    0.000
LGA    D    32_A      D    32_A    19.895     0    0.644   1.095    21.580    0.000    0.000
LGA    K    33_A      K    33_A    22.386     0    0.078   0.724    30.382    0.000    0.000
LGA    C    34_A      C    34_A    20.761     0    0.553   0.542    21.642    0.000    0.000
LGA    N    35_A      N    35_A    14.204     0    0.028   0.381    16.617    0.000    0.000
LGA    K    36_A      K    36_A    15.150     0    0.056   0.919    21.833    0.000    0.000
LGA    S    37_A      S    37_A     9.050     0    0.078   0.642    11.531    0.714    2.857
LGA    Y    38_A      Y    38_A     7.617     0    0.484   1.331    17.649   15.476    5.278
LGA    N    39_A      N    39_A     1.506     0    0.076   0.185     6.683   59.762   49.583
LGA    W    40_A      W    40_A     3.129     0    0.589   0.997    13.623   47.738   15.918
LGA    R    41_A      R    41_A     4.048     0    0.652   1.300    15.793   52.262   21.645
LGA    K    42_A      K    42_A     2.819     0    0.016   0.877     9.101   57.262   38.042
LGA    K    43_A      K    43_A     3.783     0    0.048   0.632     9.116   46.667   30.688
LGA    Y    44_A      Y    44_A     3.173     0    0.228   1.158     5.061   45.119   38.492
LGA    G    45_A      G    45_A     5.406     0    0.668   0.668     5.406   37.500   37.500
LGA    K    46_A      K    46_A     1.247     0    0.354   0.615     3.835   75.357   67.354
LGA    L    47_A      L    47_A     1.720     0    0.016   0.151     3.979   75.000   62.679
LGA    R    48_A      R    48_A     1.860     0    0.000   1.466     6.967   72.857   55.498
LGA    L    49_A      L    49_A     1.287     0    0.045   0.121     3.155   85.952   72.679
LGA    V    50_A      V    50_A     0.917     0    0.022   0.043     1.903   85.952   81.565
LGA    D    51_A      D    51_A     1.804     0    0.051   0.337     2.568   72.976   67.917
LGA    H    52_A      H    52_A     1.758     0    0.062   0.085     2.624   75.000   68.905
LGA    A    53_A      A    53_A     0.873     0    0.048   0.046     1.058   85.952   86.857
LGA    F    54_A      F    54_A     1.862     0    0.101   0.979     4.210   69.048   59.827
LGA    T    55_A      T    55_A     3.100     0    0.000   1.111     5.785   57.262   50.340
LGA    H    56_A      H    56_A     1.470     0    0.240   1.130     3.591   81.548   71.095
LGA    V    57_A      V    57_A     1.632     0    0.089   0.139     3.642   71.310   62.245
LGA    P    58_A      P    58_A     2.972     0    0.034   0.309     4.152   49.048   58.163
LGA    H    59_A      H    59_A     3.884     0    0.635   1.164     6.734   40.952   33.952
LGA    L    60_A      L    60_A     0.888     0    0.304   1.014     6.698   83.810   56.786
LGA    K    61_A      K    61_A     3.483     0    0.247   1.232    10.390   55.476   28.519
LGA    M    62_A      M    62_A     1.945     0    0.044   1.006     3.832   57.738   67.738
LGA    K    63_A      K    63_A     5.387     0    0.283   1.169    11.619   31.548   15.714
LGA    C    64_A      C    64_A     4.270     0    0.231   0.389     6.191   40.476   33.413
LGA    N    65_A      N    65_A     4.369     0    0.705   1.354     8.578   26.786   19.405
LGA    F    66_A      F    66_A     7.827     0    0.155   1.392    15.511    7.857    3.290
LGA    C    67_A      C    67_A     8.986     0    0.576   0.810    10.121    2.619    3.016
LGA    D    68_A      D    68_A    10.814     0    0.268   1.240    16.404    0.595    0.298
LGA    Y    69_A      Y    69_A     6.713     0    0.597   1.419    10.775   12.976    8.651
LGA    M    70_A      M    70_A     4.696     0    0.631   0.850    10.368   34.286   20.417
LGA    C    71_A      C    71_A     4.278     0    0.698   0.964     6.820   29.762   32.302
LGA    K    72_A      K    72_A     2.708     0    0.210   0.683     5.732   48.690   51.640
LGA    G    73_A      G    73_A     5.863     0    0.573   0.573     8.048   17.738   17.738
LGA    I    74_A      I    74_A     7.724     0    0.623   0.594    14.211   15.000    7.560
LGA    R    75_A      R    75_A     2.060     0    0.295   0.823     6.340   65.595   55.411
LGA    N    76_A      N    76_A     2.692     0    0.582   0.744     7.990   69.048   44.702
LGA    I    77_A      I    77_A     2.450     0    0.614   1.175     6.382   59.167   50.893
LGA    R    78_A      R    78_A     2.972     0    0.094   0.879     9.827   60.952   29.394
LGA    L    79_A      L    79_A     6.056     0    0.128   0.150    12.195   20.357   10.774
LGA    H    80_A      H    80_A     7.540     0    0.257   1.213    14.984   11.667    4.952
LGA    H    81_A      H    81_A     5.717     0    0.566   1.026    11.351   27.619   14.238
LGA    K    82_A      K    82_A     3.879     0    0.607   1.148     5.518   45.238   39.101
LGA    K    83_A      K    83_A     2.843     0    0.437   0.464    11.322   69.762   37.249
LGA    S    84_A      S    84_A     1.195     0    0.713   0.912     4.386   75.476   66.032
LGA    H    85_A      H    85_A     2.553     0    0.462   1.320     3.708   55.833   56.048
LGA    P    86_A      P    86_A     5.356     0    0.124   0.371     8.293   32.976   24.014
LGA    D    87_A      D    87_A     3.411     0    0.013   1.054     4.606   57.500   48.929
LGA    E    88_A      E    88_A     1.408     0    0.563   0.976     3.884   72.024   71.587
LGA    Q    89_A      Q    89_A     1.506     0    0.216   1.254     5.348   72.976   61.746
LGA    L    90_A      L    90_A     2.335     0    0.169   0.572     4.558   68.810   56.250
LGA    T    91_A      T    91_A     2.189     0    0.023   0.815     4.131   64.881   55.850
LGA    G    92_A      G    92_A     3.872     0    0.233   0.233     3.872   57.976   57.976
LGA    F    93_A      F    93_A     3.867     0    0.067   1.206    11.912   43.690   18.182
LGA    G    94_A      G    94_A     1.458     0    0.190   0.190     2.395   75.119   75.119
LGA    I    95_A      I    95_A     4.863     0    0.077   1.466     9.385   42.024   23.036
LGA    K    96_A      K    96_A     2.863     0    0.593   0.916     4.329   48.690   47.196
LGA    S    97_A      S    97_A     6.544     0    0.034   0.603     9.551   18.571   12.698
LGA    V    98_A      V    98_A     6.598     0    0.506   0.496    10.100   22.976   13.878
LGA    V    99_A      V    99_A     3.318     0    0.509   0.531     4.254   46.786   47.211
LGA    R   100_A      R   100_A     3.226     0    0.046   1.416     8.758   53.571   30.390
LGA    T   101_A      T   101_A     2.219     0    0.158   0.230     2.626   62.857   64.830
LGA    S   102_A      S   102_A     2.017     0    0.394   0.835     4.240   57.857   55.556
LGA    K   103_A      K   103_A     1.313     0    0.157   0.733     7.812   81.429   55.926
LGA    K   104_A      K   104_A     1.522     4    0.433   0.435     2.713   73.214   40.635
LGA    G   105_A      G   105_A     1.749     0    0.021   0.021     1.966   75.000   75.000
LGA    K   106_A      K   106_A     3.152     0    0.043   1.027     8.031   55.357   36.032
LGA    D   107_A      D   107_A     2.366     0    0.199   1.052     4.989   73.095   56.905
LGA    L   108_A      L   108_A     0.837     0    0.053   1.424     5.343   88.214   70.060
LGA    A   109_A      A   109_A     1.373     0    0.103   0.117     2.523   88.214   82.000
LGA    K   110_A      K   110_A     1.653     0    0.063   1.167     4.275   75.000   61.958
LGA    V   111_A      V   111_A     2.431     0    0.093   0.905     4.076   68.810   57.007
LGA    W   112_A      W   112_A     1.570     0    0.026   1.629     8.209   77.143   53.469
LGA    D   113_A      D   113_A     0.536     0    0.042   0.288     2.418   95.238   87.381
LGA    E   114_A      E   114_A     1.186     0    0.078   0.786     4.185   83.690   63.862
LGA    C   115_A      C   115_A     1.041     0    0.146   0.160     2.049   75.119   75.794
LGA    F   116_A      F   116_A     1.933     0    0.173   1.287     7.286   70.833   47.013
LGA    K   117_A      K   117_A     2.341     0    0.584   1.208     9.033   57.976   43.862
LGA    K   118_A      K   118_A     3.073     0    0.288   0.309    10.615   63.214   35.397
LGA    N   119_A      N   119_A     2.639     0    0.043   0.900     7.689   59.048   40.655
LGA    R   120_A      R   120_A     3.759     6    0.622   0.572     7.792   29.405   13.074
LGA    V   121_A      V   121_A     9.097     0    0.406   1.150    12.221    3.690    2.245
LGA    L   122_A      L   122_A    11.193     0    0.607   1.401    16.043    1.190    0.595
LGA    Q   123_A      Q   123_A     7.108     0    0.042   1.137    11.039    3.929   30.741
LGA    H   124_A      H   124_A     9.947     0    0.140   1.292    14.581    2.619    1.095
LGA    G   125_A      G   125_A    13.030     0    0.558   0.558    15.560    0.000    0.000
LGA    S   126_A      S   126_A    17.064     0    0.555   0.539    19.496    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     864    864  100.00               105
SUMMARY(RMSD_GDC):     7.232          7.165                  8.488           44.107   35.821

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0     65    2.55    47.619    42.022     2.448

LGA_LOCAL      RMSD:   2.555  Number of atoms:   65  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.515  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   7.232  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.722535 * X  +   0.412018 * Y  +   0.555143 * Z  + -61.211094
  Y_new =   0.683074 * X  +   0.549234 * Y  +   0.481407 * Z  + -327.547150
  Z_new =  -0.106555 * X  +   0.727037 * Y  +  -0.678280 * Z  +  21.119896 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.384261  0.106758  2.321513   [DEG:  136.6081    6.1168  133.0129 ]
ZXZ:  2.285178  2.316215 -0.145525   [DEG:  130.9310  132.7094   -8.3379 ]
 
# END of job
