
#######################################################
#                                                     #
#                        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:    41      22_A - 62_A        4.85    17.22
  LONGEST_CONTINUOUS_SEGMENT:    41      23_A - 63_A        4.70    17.16
  LONGEST_CONTINUOUS_SEGMENT:    41      24_A - 64_A        4.91    17.27
  LCS_AVERAGE:     34.03

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      59_A - 86_A        1.89    26.61
  LONGEST_CONTINUOUS_SEGMENT:    28      61_A - 88_A        1.97    27.02
  LCS_AVERAGE:     16.41

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18      68_A - 85_A        0.95    27.21
  LCS_AVERAGE:      8.69

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      4    7   41      3    3    4    5    6    7    8    9   10   11   13   15   18   26   29   33   37   41   45   46 
LCS_GDT     K    23_A     K    23_A      4    7   41      3    3    4    5    6    7   12   13   21   27   29   31   33   35   38   47   50   53   56   59 
LCS_GDT     V    24_A     V    24_A      4    7   41      3    3    4   12   15   22   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     H    25_A     H    25_A      4   14   41      3    3    4   12   14   20   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     I    26_A     I    26_A      5   18   41      3    7   13   18   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     I    27_A     I    27_A      6   18   41      3    9   12   18   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     K    28_A     K    28_A      6   18   41      4    8   13   18   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     C    29_A     C    29_A      6   18   41      4    8   13   18   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     H    30_A     H    30_A      6   18   41      4    8   13   18   23   26   30   32   33   35   37   38   40   42   44   47   48   51   54   59 
LCS_GDT     F    31_A     F    31_A      6   18   41      4    8   13   17   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     D    32_A     D    32_A      6   18   41      3    7   13   18   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     K    33_A     K    33_A      7   18   41      3    6   12   18   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     C    34_A     C    34_A      7   18   41      5    9   13   18   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     N    35_A     N    35_A      7   18   41      4    7   13   18   23   26   30   32   33   35   37   38   40   42   44   47   48   53   56   59 
LCS_GDT     K    36_A     K    36_A      7   18   41      4    9   13   18   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     S    37_A     S    37_A      7   18   41      4    9   13   18   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     Y    38_A     Y    38_A      7   18   41      5    9   13   18   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     N    39_A     N    39_A      7   18   41      3    7   13   17   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     W    40_A     W    40_A      7   18   41      3    5   10   16   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     R    41_A     R    41_A      7   18   41      4    7   13   16   19   25   28   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     K    42_A     K    42_A      5   18   41      4    5    9   17   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     K    43_A     K    43_A      5   18   41      4    5    5    5    6    9   13   20   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     Y    44_A     Y    44_A      5   15   41      4    5    6    9   21   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     G    45_A     G    45_A      5   15   41      3    5    5    6   10   17   20   22   32   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     K    46_A     K    46_A     11   15   41      9   10   11   13   16   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     L    47_A     L    47_A     11   15   41      9   10   11   13   19   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     R    48_A     R    48_A     11   15   41      9   10   12   18   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     L    49_A     L    49_A     11   15   41      9   10   11   16   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     V    50_A     V    50_A     11   15   41      9   10   11   15   22   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     D    51_A     D    51_A     11   15   41      9   10   12   18   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     H    52_A     H    52_A     11   15   41      9   10   12   18   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     A    53_A     A    53_A     11   15   41      9   10   11   18   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     F    54_A     F    54_A     11   15   41      9   10   12   18   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     T    55_A     T    55_A     11   15   41      4   10   12   18   23   26   30   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     H    56_A     H    56_A     11   15   41      4    8   12   15   19   22   28   31   32   35   37   38   39   42   44   47   50   53   56   59 
LCS_GDT     V    57_A     V    57_A      5   15   41      4    5   10   13   15   23   29   31   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     P    58_A     P    58_A      4   15   41      3    4    4    8   19   26   29   32   33   35   37   38   40   42   44   47   50   53   56   59 
LCS_GDT     H    59_A     H    59_A      3   28   41      3    3    5   21   25   27   29   29   29   31   35   37   40   42   44   47   50   53   56   59 
LCS_GDT     L    60_A     L    60_A      4   28   41      3    3    5    8   15   25   27   28   29   30   30   37   40   42   44   47   50   53   56   59 
LCS_GDT     K    61_A     K    61_A      4   28   41      3   13   18   23   25   27   29   29   29   30   30   36   40   42   44   47   50   53   56   59 
LCS_GDT     M    62_A     M    62_A      4   28   41      3    4    9   21   25   27   29   29   29   30   33   36   40   42   44   47   50   53   56   59 
LCS_GDT     K    63_A     K    63_A     12   28   41      3    8   15   23   25   27   29   29   29   30   30   34   39   42   44   47   50   53   56   59 
LCS_GDT     C    64_A     C    64_A     14   28   41      6   10   18   23   25   27   29   29   29   30   30   32   33   39   43   47   50   53   56   59 
LCS_GDT     N    65_A     N    65_A     14   28   35      6   10   18   23   25   27   29   29   29   30   30   34   39   42   44   47   50   53   56   59 
LCS_GDT     F    66_A     F    66_A     14   28   35      6   10   18   23   25   27   29   29   29   30   30   32   33   39   43   47   50   53   56   59 
LCS_GDT     C    67_A     C    67_A     15   28   35      6   10   18   23   25   27   29   29   29   30   30   32   32   33   35   37   40   43   49   53 
LCS_GDT     D    68_A     D    68_A     18   28   35      6   13   18   23   25   27   29   29   29   30   30   32   32   33   35   37   39   42   44   48 
LCS_GDT     Y    69_A     Y    69_A     18   28   35      6   15   18   23   25   27   29   29   29   30   30   32   32   33   35   37   40   43   47   53 
LCS_GDT     M    70_A     M    70_A     18   28   35      4   15   18   23   25   27   29   29   29   30   30   32   32   33   36   44   49   53   56   59 
LCS_GDT     C    71_A     C    71_A     18   28   35      3    3   10   23   25   27   29   29   29   30   30   32   32   33   40   45   50   53   56   59 
LCS_GDT     K    72_A     K    72_A     18   28   35      3   15   18   23   25   27   29   29   29   30   30   32   32   33   40   45   50   53   56   59 
LCS_GDT     G    73_A     G    73_A     18   28   35      9   15   18   23   25   27   29   29   29   30   30   32   32   33   35   37   39   50   56   59 
LCS_GDT     I    74_A     I    74_A     18   28   35      9   15   18   23   25   27   29   29   29   30   30   32   32   33   35   37   39   50   52   59 
LCS_GDT     R    75_A     R    75_A     18   28   35      9   15   18   23   25   27   29   29   29   30   30   32   32   33   35   37   39   42   43   45 
LCS_GDT     N    76_A     N    76_A     18   28   35      9   15   18   23   25   27   29   29   29   30   30   32   32   33   35   37   39   45   48   55 
LCS_GDT     I    77_A     I    77_A     18   28   35      9   15   18   23   25   27   29   29   29   30   30   32   32   33   40   45   50   53   56   59 
LCS_GDT     R    78_A     R    78_A     18   28   35      9   15   18   23   25   27   29   29   29   30   30   32   32   33   35   44   48   52   56   59 
LCS_GDT     L    79_A     L    79_A     18   28   35      9   15   18   23   25   27   29   29   29   30   30   32   32   33   35   37   41   50   51   57 
LCS_GDT     H    80_A     H    80_A     18   28   35      9   15   18   23   25   27   29   29   29   30   30   32   32   33   36   44   50   52   56   59 
LCS_GDT     H    81_A     H    81_A     18   28   35      9   15   18   23   25   27   29   29   29   30   30   32   32   33   40   45   50   53   56   59 
LCS_GDT     K    82_A     K    82_A     18   28   35      9   15   18   23   25   27   29   29   29   30   30   32   32   33   39   44   50   52   56   59 
LCS_GDT     K    83_A     K    83_A     18   28   35      9   15   18   23   25   27   29   29   29   30   30   32   32   33   35   38   41   50   54   58 
LCS_GDT     S    84_A     S    84_A     18   28   35      9   14   18   23   25   27   29   29   29   30   30   32   32   33   36   43   50   52   56   59 
LCS_GDT     H    85_A     H    85_A     18   28   35      5   15   18   23   25   27   29   29   29   30   30   32   32   33   40   45   50   53   56   59 
LCS_GDT     P    86_A     P    86_A      5   28   35      3    5   11   21   25   27   29   29   29   30   30   32   32   33   40   45   50   53   56   59 
LCS_GDT     D    87_A     D    87_A      5   28   35      3    5    8   15   20   25   29   29   29   30   30   32   32   32   39   45   50   53   56   59 
LCS_GDT     E    88_A     E    88_A      4   28   35      3    5    8   15   20   25   29   29   29   30   30   32   36   39   43   47   50   53   56   59 
LCS_GDT     Q    89_A     Q    89_A      3    6   35      3    3    4    7   11   16   17   20   25   27   33   36   39   42   44   47   50   53   56   59 
LCS_GDT     L    90_A     L    90_A      3    6   35      3    3    4    6   10   14   16   19   23   31   33   37   40   42   44   47   48   48   52   54 
LCS_GDT     T    91_A     T    91_A      3    5   35      3    3    4    4   14   16   22   26   29   33   36   38   40   42   44   46   48   48   50   51 
LCS_GDT     G    92_A     G    92_A      3    5   24      3    3    3    4    5    6   20   22   28   33   36   38   39   40   42   43   44   46   47   48 
LCS_GDT     F    93_A     F    93_A      3    5   18      3    3    3    5    7   18   30   32   32   35   37   38   39   40   41   43   44   45   47   47 
LCS_GDT     G    94_A     G    94_A      3    5   18      3    3    3    5   15   23   28   31   32   35   37   37   38   39   40   41   43   43   44   46 
LCS_GDT     I    95_A     I    95_A      3    9   23      3    3    3    6    9   10   11   11   13   17   20   24   27   35   38   39   41   43   44   46 
LCS_GDT     K    96_A     K    96_A      5    9   31      3    4    6    7    9   10   11   15   21   25   27   28   28   29   29   37   40   43   44   46 
LCS_GDT     S    97_A     S    97_A      5    9   31      3    4    6    7    9   10   11   11   12   13   18   22   32   35   38   39   41   43   44   46 
LCS_GDT     V    98_A     V    98_A      5    9   31      3    4    6    7    9   10   11   14   20   25   27   28   28   29   29   38   41   43   44   46 
LCS_GDT     V    99_A     V    99_A      5    9   31      3    4    6    7    9   10   12   18   21   25   27   28   28   29   29   30   31   33   40   46 
LCS_GDT     R   100_A     R   100_A      5    9   31      3    4    6    7    9   10   11   11   14   17   17   22   24   25   28   32   35   37   44   46 
LCS_GDT     T   101_A     T   101_A      5    9   31      3    4    6    7    9   10   11   11   12   13   14   19   25   34   38   38   41   43   44   46 
LCS_GDT     S   102_A     S   102_A      4    9   31      3    3    4    7    7   10   12   16   20   25   26   28   28   29   29   30   31   37   40   46 
LCS_GDT     K   103_A     K   103_A      3   15   31      3    3    4    6    9   11   14   18   21   25   27   28   28   29   29   30   31   33   33   36 
LCS_GDT     K   104_A     K   104_A     13   15   31      9   12   13   13   14   16   16   18   21   25   27   28   28   29   29   30   31   33   33   33 
LCS_GDT     G   105_A     G   105_A     13   15   31      9   12   13   13   14   16   16   18   21   25   27   28   28   29   29   30   31   33   37   45 
LCS_GDT     K   106_A     K   106_A     13   15   31      9   12   13   13   14   16   16   18   21   25   27   28   28   29   29   32   41   43   44   46 
LCS_GDT     D   107_A     D   107_A     13   15   31      9   12   13   13   14   16   16   18   21   25   27   28   28   29   29   30   31   33   33   45 
LCS_GDT     L   108_A     L   108_A     13   15   31      9   12   13   13   14   16   16   18   21   25   27   28   28   29   29   30   31   33   33   34 
LCS_GDT     A   109_A     A   109_A     13   15   31      7   12   13   13   14   16   16   18   21   25   27   28   28   29   29   38   41   43   44   46 
LCS_GDT     K   110_A     K   110_A     13   15   31      9   12   13   13   14   16   16   18   21   25   27   28   28   29   29   30   31   37   43   46 
LCS_GDT     V   111_A     V   111_A     13   15   31      9   12   13   13   14   16   16   18   21   25   27   28   28   29   29   30   31   33   33   34 
LCS_GDT     W   112_A     W   112_A     13   15   31      9   12   13   13   14   16   16   18   21   25   27   28   28   29   29   30   31   33   40   46 
LCS_GDT     D   113_A     D   113_A     13   15   31      9   12   13   13   14   16   16   18   21   25   27   28   28   29   29   30   31   34   40   46 
LCS_GDT     E   114_A     E   114_A     13   15   31      9   12   13   13   14   16   16   18   21   25   27   28   28   29   29   30   31   33   33   34 
LCS_GDT     C   115_A     C   115_A     13   15   31      9   12   13   13   14   14   15   18   19   23   27   28   28   29   29   30   31   33   33   34 
LCS_GDT     F   116_A     F   116_A     13   15   31      4   10   13   13   14   14   15   17   21   25   27   28   28   29   29   30   31   33   33   34 
LCS_GDT     K   117_A     K   117_A      4   15   31      4    4    5   12   14   16   16   18   21   25   27   28   28   29   29   30   31   33   33   34 
LCS_GDT     K   118_A     K   118_A      4   15   31      4    4    5   11   11   16   16   18   19   22   27   28   28   29   29   30   31   33   33   33 
LCS_GDT     N   119_A     N   119_A      4    7   31      4    4    8   11   13   16   16   18   21   25   27   28   28   29   29   30   31   33   33   33 
LCS_GDT     R   120_A     R   120_A      4    6   31      3    4    8   11   11   16   16   18   21   25   27   28   28   29   29   30   31   33   33   33 
LCS_GDT     V   121_A     V   121_A      4    6   31      3    4    5   11   11   13   16   18   21   25   27   28   28   29   29   30   31   33   33   35 
LCS_GDT     L   122_A     L   122_A      3    6   31      0    3    4    6   13   16   16   18   21   25   27   28   28   29   29   30   31   33   33   35 
LCS_GDT     Q   123_A     Q   123_A      4    4   31      3    4    4    6    6    8   12   18   21   25   27   28   28   29   29   30   31   33   33   35 
LCS_GDT     H   124_A     H   124_A      4    4   31      3    4    4    5    6    8   14   17   20   25   27   28   28   29   29   30   31   33   33   35 
LCS_GDT     G   125_A     G   125_A      4    4   31      3    4    4    5    6    8   12   16   19   25   27   28   28   29   29   30   31   33   33   35 
LCS_GDT     S   126_A     S   126_A      4    4   31      3    4    4    5    5    8   12   17   20   25   27   28   28   29   29   30   31   33   33   35 
LCS_AVERAGE  LCS_A:  19.71  (   8.69   16.41   34.03 )

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      9     15     18     23     25     27     30     32     33     35     37     38     40     42     44     47     50     53     56     59 
GDT PERCENT_AT   8.57  14.29  17.14  21.90  23.81  25.71  28.57  30.48  31.43  33.33  35.24  36.19  38.10  40.00  41.90  44.76  47.62  50.48  53.33  56.19
GDT RMS_LOCAL    0.22   0.65   0.87   1.26   1.41   1.65   2.39   2.49   2.65   2.79   3.00   3.32   4.19   4.49   4.82   5.46   6.29   6.50   6.88   7.05
GDT RMS_ALL_AT  17.36  27.22  27.08  27.05  26.93  26.78  17.50  17.51  17.70  17.65  17.77  17.21  17.17  17.23  17.38  17.74  18.90  18.92  19.62  19.43

# Checking swapping
#   possible swapping detected:  F    31_A      F    31_A
#   possible swapping detected:  D    32_A      D    32_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  F    54_A      F    54_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  D   107_A      D   107_A
#   possible swapping detected:  D   113_A      D   113_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    15.749     0    0.300   1.052    17.927    0.000    0.000
LGA    K    23_A      K    23_A    10.739     0    0.119   1.053    16.356    1.071    0.476
LGA    V    24_A      V    24_A     4.320     0    0.622   0.974     6.318   35.357   48.163
LGA    H    25_A      H    25_A     4.363     0    0.425   1.416    11.880   47.857   22.048
LGA    I    26_A      I    26_A     2.457     0    0.042   1.154     7.635   67.262   41.131
LGA    I    27_A      I    27_A     2.058     0    0.136   0.651     2.615   68.810   64.881
LGA    K    28_A      K    28_A     2.552     0    0.101   0.139     6.241   60.952   45.767
LGA    C    29_A      C    29_A     1.484     0    0.044   0.797     3.882   79.286   73.651
LGA    H    30_A      H    30_A     2.209     0    0.333   0.408     3.802   61.429   58.143
LGA    F    31_A      F    31_A     2.451     0    0.664   0.943     8.852   63.452   37.273
LGA    D    32_A      D    32_A     1.016     0    0.572   1.009     4.656   77.619   63.810
LGA    K    33_A      K    33_A     1.625     0    0.314   0.837     6.193   84.048   56.825
LGA    C    34_A      C    34_A     0.797     0    0.018   0.043     3.053   86.071   76.508
LGA    N    35_A      N    35_A     2.832     0    0.348   0.266     6.180   59.048   44.881
LGA    K    36_A      K    36_A     2.200     0    0.040   0.538     4.583   66.905   61.323
LGA    S    37_A      S    37_A     1.959     0    0.065   0.571     4.676   70.833   63.254
LGA    Y    38_A      Y    38_A     0.905     0    0.329   0.466     3.052   85.952   78.373
LGA    N    39_A      N    39_A     2.084     0    0.465   1.222     6.665   67.024   47.143
LGA    W    40_A      W    40_A     2.758     0    0.134   1.677    12.811   50.833   22.789
LGA    R    41_A      R    41_A     4.119     0    0.532   1.293    12.308   45.119   22.727
LGA    K    42_A      K    42_A     2.003     0    0.078   0.864     3.774   53.810   58.254
LGA    K    43_A      K    43_A     5.636     0    0.048   0.593    12.500   24.524   12.169
LGA    Y    44_A      Y    44_A     3.416     0    0.038   0.805    11.518   42.024   26.587
LGA    G    45_A      G    45_A     5.628     0    0.485   0.485     5.628   33.214   33.214
LGA    K    46_A      K    46_A     3.274     0    0.293   0.899     4.018   46.786   57.037
LGA    L    47_A      L    47_A     2.856     0    0.057   1.435     7.005   62.976   46.190
LGA    R    48_A      R    48_A     1.228     0    0.098   0.125     1.876   81.548   79.957
LGA    L    49_A      L    49_A     2.024     0    0.024   1.236     3.781   66.786   61.190
LGA    V    50_A      V    50_A     2.603     0    0.040   0.049     3.775   66.905   58.707
LGA    D    51_A      D    51_A     1.134     0    0.039   0.211     2.626   83.810   74.464
LGA    H    52_A      H    52_A     1.144     0    0.045   1.578     6.940   79.405   54.905
LGA    A    53_A      A    53_A     2.151     0    0.099   0.093     2.498   66.786   66.381
LGA    F    54_A      F    54_A     1.281     0    0.027   1.237     5.294   83.810   63.030
LGA    T    55_A      T    55_A     1.886     0    0.118   0.201     3.567   65.357   59.864
LGA    H    56_A      H    56_A     5.116     0    0.235   0.893     7.258   27.262   19.762
LGA    V    57_A      V    57_A     5.072     0    0.048   1.016     9.381   36.071   25.782
LGA    P    58_A      P    58_A     2.922     0    0.697   0.999     5.768   46.786   39.728
LGA    H    59_A      H    59_A     8.324     0    0.104   1.546    12.835    6.667    2.714
LGA    L    60_A      L    60_A    10.044     0    0.616   1.348    12.544    0.714    0.714
LGA    K    61_A      K    61_A    13.084     0    0.233   1.220    18.628    0.000    0.000
LGA    M    62_A      M    62_A    13.358     0    0.078   1.795    14.625    0.000    1.071
LGA    K    63_A      K    63_A    16.893     0    0.254   0.695    18.823    0.000    0.000
LGA    C    64_A      C    64_A    20.237     0    0.636   0.576    22.485    0.000    0.000
LGA    N    65_A      N    65_A    19.338     0    0.186   0.233    20.199    0.000    0.000
LGA    F    66_A      F    66_A    21.690     0    0.242   0.242    23.431    0.000    0.000
LGA    C    67_A      C    67_A    21.995     0    0.068   0.712    23.765    0.000    0.000
LGA    D    68_A      D    68_A    19.589     0    0.276   1.183    21.525    0.000    0.000
LGA    Y    69_A      Y    69_A    21.020     0    0.074   1.067    22.359    0.000    0.000
LGA    M    70_A      M    70_A    18.657     0    0.097   1.451    22.112    0.000    0.000
LGA    C    71_A      C    71_A    19.684     0    0.640   0.932    20.246    0.000    0.000
LGA    K    72_A      K    72_A    18.087     0    0.353   0.925    19.626    0.000    0.000
LGA    G    73_A      G    73_A    20.543     0    0.147   0.147    21.761    0.000    0.000
LGA    I    74_A      I    74_A    22.506     0    0.084   0.136    24.341    0.000    0.000
LGA    R    75_A      R    75_A    26.558     0    0.063   1.115    32.058    0.000    0.000
LGA    N    76_A      N    76_A    25.130     0    0.035   0.166    26.234    0.000    0.000
LGA    I    77_A      I    77_A    23.322     0    0.098   1.332    24.489    0.000    0.000
LGA    R    78_A      R    78_A    26.533     0    0.055   1.426    28.111    0.000    0.000
LGA    L    79_A      L    79_A    28.839     0    0.041   0.065    31.818    0.000    0.000
LGA    H    80_A      H    80_A    26.331     0    0.050   1.204    27.301    0.000    0.000
LGA    H    81_A      H    81_A    26.375     0    0.028   1.451    27.942    0.000    0.000
LGA    K    82_A      K    82_A    30.450     0    0.039   1.037    37.981    0.000    0.000
LGA    K    83_A      K    83_A    31.355     0    0.043   0.169    32.508    0.000    0.000
LGA    S    84_A      S    84_A    28.445     0    0.117   0.666    29.133    0.000    0.000
LGA    H    85_A      H    85_A    28.567     0    0.472   1.517    30.665    0.000    0.000
LGA    P    86_A      P    86_A    30.029     0    0.671   0.640    34.177    0.000    0.000
LGA    D    87_A      D    87_A    27.619     0    0.228   1.072    28.648    0.000    0.000
LGA    E    88_A      E    88_A    24.015     0    0.547   1.349    26.542    0.000    0.000
LGA    Q    89_A      Q    89_A    19.839     0    0.517   0.810    23.145    0.000    0.000
LGA    L    90_A      L    90_A    14.370     0    0.597   0.873    18.775    0.000    0.000
LGA    T    91_A      T    91_A    10.763     0    0.245   0.772    13.309    4.524    2.585
LGA    G    92_A      G    92_A     6.990     0    0.626   0.626     8.274   20.357   20.357
LGA    F    93_A      F    93_A     3.468     0    0.583   1.071     8.036   42.143   26.753
LGA    G    94_A      G    94_A     6.034     0    0.124   0.124     7.570   20.238   20.238
LGA    I    95_A      I    95_A    11.533     0    0.361   1.182    14.423    0.119    0.060
LGA    K    96_A      K    96_A    14.705     0    0.362   0.763    24.998    0.000    0.000
LGA    S    97_A      S    97_A    11.259     0    0.622   0.560    11.988    1.190    0.794
LGA    V    98_A      V    98_A    12.031     0    0.062   0.067    15.316    0.000    0.000
LGA    V    99_A      V    99_A    16.973     0    0.190   1.151    20.998    0.000    0.000
LGA    R   100_A      R   100_A    15.642     0    0.177   1.040    20.879    0.000    0.000
LGA    T   101_A      T   101_A    10.136     0    0.610   0.902    11.692    0.714    0.884
LGA    S   102_A      S   102_A    14.407     0    0.629   0.802    17.670    0.000    0.000
LGA    K   103_A      K   103_A    15.555     0    0.653   0.565    18.472    0.000    0.000
LGA    K   104_A      K   104_A    18.650     4    0.551   0.552    20.065    0.000    0.000
LGA    G   105_A      G   105_A    14.615     0    0.053   0.053    15.864    0.000    0.000
LGA    K   106_A      K   106_A    14.375     0    0.047   1.280    15.700    0.000    0.000
LGA    D   107_A      D   107_A    18.132     0    0.036   0.182    20.443    0.000    0.000
LGA    L   108_A      L   108_A    17.132     0    0.067   1.201    19.519    0.000    0.000
LGA    A   109_A      A   109_A    14.234     0    0.058   0.058    15.408    0.000    0.000
LGA    K   110_A      K   110_A    16.981     0    0.030   0.726    22.651    0.000    0.000
LGA    V   111_A      V   111_A    19.667     0    0.087   0.914    22.516    0.000    0.000
LGA    W   112_A      W   112_A    17.744     0    0.097   1.436    18.344    0.000    0.000
LGA    D   113_A      D   113_A    17.881     0    0.068   0.964    19.837    0.000    0.000
LGA    E   114_A      E   114_A    21.594     0    0.089   0.071    23.362    0.000    0.000
LGA    C   115_A      C   115_A    22.295     0    0.053   0.053    22.953    0.000    0.000
LGA    F   116_A      F   116_A    20.012     0    0.221   1.293    21.788    0.000    0.000
LGA    K   117_A      K   117_A    22.557     0    0.127   0.934    26.531    0.000    0.000
LGA    K   118_A      K   118_A    29.551     0    0.178   0.164    34.321    0.000    0.000
LGA    N   119_A      N   119_A    29.807     0    0.242   0.471    32.141    0.000    0.000
LGA    R   120_A      R   120_A    29.252     6    0.248   0.245    30.587    0.000    0.000
LGA    V   121_A      V   121_A    30.204     0    0.603   1.117    34.165    0.000    0.000
LGA    L   122_A      L   122_A    25.172     0    0.745   0.604    27.343    0.000    0.000
LGA    Q   123_A      Q   123_A    29.128     0    0.586   1.490    31.963    0.000    0.000
LGA    H   124_A      H   124_A    29.000     0    0.602   0.553    33.082    0.000    0.000
LGA    G   125_A      G   125_A    33.241     0    0.240   0.240    37.329    0.000    0.000
LGA    S   126_A      S   126_A    36.721     0    0.579   0.573    37.218    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):    16.014         15.900                 16.558           21.366   17.548

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0     32    2.49    27.857    25.293     1.236

LGA_LOCAL      RMSD:   2.489  Number of atoms:   32  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  17.514  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:  16.014  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.076327 * X  +   0.986772 * Y  +  -0.143024 * Z  +  26.155632
  Y_new =   0.991014 * X  +  -0.059275 * Y  +   0.119907 * Z  +  -4.894861
  Z_new =   0.109843 * X  +  -0.150891 * Y  +  -0.982429 * Z  +   9.462835 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.493929 -0.110065 -2.989194   [DEG:   85.5958   -6.3063 -171.2682 ]
ZXZ: -2.268501  2.953854  2.512344   [DEG: -129.9755  169.2434  143.9467 ]
 
# END of job
