
#######################################################
#                                                     #
#                        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  109 (  878),  selected  104 , name one
# Molecule2: number of CA atoms  141 ( 1131),  selected  104 , 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:    45      93_A - 137_A       4.86    41.23
  LCS_AVERAGE:     24.47

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22     116_A - 137_A       1.72    34.33
  LCS_AVERAGE:     10.43

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17      30_A - 46_A        0.52    50.62
  LCS_AVERAGE:      7.79

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     P    29_A     P    29_A      3   18   31      0    3    3    3    6   10   15   18   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     H    30_A     H    30_A     17   18   31      3    4   17   17   17   17   17   18   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     E    31_A     E    31_A     17   18   31     15   16   17   17   17   17   17   18   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     R    32_A     R    32_A     17   18   31      7   16   17   17   17   17   17   18   18   19   24   27   28   29   30   31   31   31   31   31 
LCS_GDT     Y    33_A     Y    33_A     17   18   31     15   16   17   17   17   17   17   18   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     E    34_A     E    34_A     17   18   31     15   16   17   17   17   17   17   18   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     R    35_A     R    35_A     17   18   31     15   16   17   17   17   17   17   18   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     L    36_A     L    36_A     17   18   31     15   16   17   17   17   17   17   18   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     D    37_A     D    37_A     17   18   31     15   16   17   17   17   17   17   18   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     R    38_A     R    38_A     17   18   31     15   16   17   17   17   17   17   18   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     W    39_A     W    39_A     17   18   31     15   16   17   17   17   17   17   18   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     I    40_A     I    40_A     17   18   31     15   16   17   17   17   17   17   18   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     T    41_A     T    41_A     17   18   31     15   16   17   17   17   17   17   18   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     E    42_A     E    42_A     17   18   31     15   16   17   17   17   17   17   18   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     Q    43_A     Q    43_A     17   18   31     15   16   17   17   17   17   17   18   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     L    44_A     L    44_A     17   18   31     15   16   17   17   17   17   17   18   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     I    45_A     I    45_A     17   18   31     15   16   17   17   17   17   17   18   18   19   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     Y    46_A     Y    46_A     17   18   31     15   16   17   17   17   17   17   18   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     R    52_A     R    52_A      3    3   31      3    3    3    3    7   10   14   16   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     D    53_A     D    53_A      3    3   31      3    3    3    4    5    8   10   13   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     E    54_A     E    54_A      3   11   31      3    3    3    7   11   13   14   16   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     W    55_A     W    55_A     10   11   31      3    9   10   10   12   12   13   15   17   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     I    56_A     I    56_A     10   11   31      8    9   10   10   12   13   14   16   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     D    57_A     D    57_A     10   11   31      8    9   10   10   12   13   14   16   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     A    58_A     A    58_A     10   11   31      8    9   10   10   12   13   14   16   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     L    59_A     L    59_A     10   11   31      8    9   10   10   12   13   14   16   18   23   25   27   28   29   30   31   31   31   31   31 
LCS_GDT     A    60_A     A    60_A     10   11   31      8    9   10   10   12   13   14   16   18   22   24   27   28   29   30   31   31   31   31   31 
LCS_GDT     E    61_A     E    61_A     10   11   31      8    9   10   10   12   13   14   16   18   22   23   26   28   29   30   31   31   31   31   31 
LCS_GDT     A    62_A     A    62_A     10   11   31      8    9   10   10   12   13   14   16   18   22   23   26   27   29   30   31   31   31   31   31 
LCS_GDT     A    63_A     A    63_A     10   11   31      8    9   10   10   12   13   13   16   18   22   23   26   27   29   30   31   31   31   31   31 
LCS_GDT     G    64_A     G    64_A     10   11   31      8    9   10   10   12   13   13   15   18   22   23   26   27   28   30   31   31   31   31   31 
LCS_GDT     I    65_A     I    65_A      6    7   14      3    6    6    7    7    7    7    7    8    9   10   12   13   13   14   14   14   18   20   24 
LCS_GDT     F    66_A     F    66_A      6    7   14      3    6    6    7    7    7    7    7    8    9   10   11   11   12   14   14   15   19   21   24 
LCS_GDT     K    67_A     K    67_A      6    7   14      4    6    6    7    7    7    7    7    9   10   11   12   13   14   14   15   16   19   21   24 
LCS_GDT     E    68_A     E    68_A      6    7   14      4    6    6    7    7    7    7    9    9   10   11   12   14   14   14   15   16   19   21   24 
LCS_GDT     A    69_A     A    69_A      6    7   14      4    6    6    7    7    7    7    7    8    9   10   12   13   13   14   15   16   19   21   24 
LCS_GDT     L    70_A     L    70_A      6    7   14      4    6    6    7    7    7    7    9    9   10   11   12   14   14   14   16   17   21   22   26 
LCS_GDT     E    71_A     E    71_A      4    7   19      3    3    4    7    7    7    7    9   10   12   14   16   16   17   22   24   28   32   34   39 
LCS_GDT     R    72_A     R    72_A      3    5   22      3    3    3    5    5    6    7    9   10   12   14   16   19   21   24   27   32   34   36   40 
LCS_GDT     N    73_A     N    73_A      3    5   22      3    3    4    5    5    6   12   13   17   17   18   23   25   30   31   34   34   36   37   40 
LCS_GDT     I    74_A     I    74_A      3    5   22      3    3    3    5    5    5    6    9   17   17   18   21   24   29   31   34   34   36   37   40 
LCS_GDT     T    75_A     T    75_A      4    5   22      3    4    4    5    7   10   12   15   17   17   20   24   26   30   32   34   34   36   37   40 
LCS_GDT     T    76_A     T    76_A      4   14   22      3    4    4    5    8   11   13   15   17   17   20   23   27   30   32   34   34   36   37   40 
LCS_GDT     P    77_A     P    77_A     12   14   22      9   12   12   12   12   12   13   15   17   17   18   19   19   20   21   22   23   23   25   32 
LCS_GDT     E    78_A     E    78_A     12   14   22      9   12   12   12   12   12   13   15   17   17   18   19   20   20   21   22   34   35   36   39 
LCS_GDT     E    79_A     E    79_A     12   14   22      9   12   12   12   12   12   13   15   17   17   19   23   24   30   32   34   34   36   37   40 
LCS_GDT     F    80_A     F    80_A     12   14   24      9   12   12   12   12   12   13   15   17   17   20   23   27   30   32   34   34   36   37   40 
LCS_GDT     N    81_A     N    81_A     12   14   25      9   12   12   12   12   12   13   15   17   17   18   23   26   30   32   34   34   36   37   40 
LCS_GDT     A    82_A     A    82_A     12   14   25      9   12   12   12   12   12   14   17   20   22   24   26   27   32   33   35   35   38   39   45 
LCS_GDT     F    83_A     F    83_A     12   14   25      9   12   12   12   15   17   20   21   22   24   27   28   30   32   33   35   35   38   39   45 
LCS_GDT     L    84_A     L    84_A     12   14   25      9   12   12   12   12   16   20   20   22   24   28   28   31   32   33   35   38   43   44   46 
LCS_GDT     K    85_A     K    85_A     12   14   25      9   12   12   12   12   12   15   16   20   22   24   27   31   32   33   38   40   43   44   47 
LCS_GDT     E    86_A     E    86_A     12   14   25      9   12   12   12   12   12   15   15   16   25   28   28   31   32   33   38   40   43   44   47 
LCS_GDT     K    87_A     K    87_A     12   14   25      8   12   12   12   12   12   15   15   17   19   24   25   27   30   32   34   35   43   44   46 
LCS_GDT     G    88_A     G    88_A     12   14   25      4   12   12   12   12   12   13   15   17   17   19   21   22   29   30   38   40   43   45   47 
LCS_GDT     K    89_A     K    89_A     11   14   25      6   10   11   11   12   12   15   21   22   27   29   33   37   40   42   45   45   46   48   48 
LCS_GDT     R    90_A     R    90_A     11   13   25      6   10   11   11   12   12   15   15   17   22   29   33   38   40   42   45   45   46   48   48 
LCS_GDT     A    91_A     A    91_A     11   13   25      7   10   11   11   12   12   15   15   16   19   24   25   29   37   41   43   45   46   48   48 
LCS_GDT     V    92_A     V    92_A     11   13   25      7   10   11   11   12   12   15   15   22   27   29   33   38   40   42   45   45   46   48   48 
LCS_GDT     D    93_A     D    93_A     11   13   45      5   10   11   15   17   19   22   24   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     L    94_A     L    94_A     11   13   45      7   10   11   11   12   12   15   15   16   23   31   35   41   43   43   45   45   46   48   48 
LCS_GDT     V    95_A     V    95_A     11   13   45      7   10   11   11   12   15   19   22   27   32   33   36   41   43   43   45   45   46   48   48 
LCS_GDT     A    96_A     A    96_A     11   13   45      7   10   11   11   12   14   17   20   28   31   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     T    97_A     T    97_A     11   13   45      7   10   11   11   12   12   15   20   25   28   32   37   41   43   43   44   45   46   48   48 
LCS_GDT     L    98_A     L    98_A     11   13   45      7   10   11   11   12   12   15   20   25   27   32   37   41   43   43   45   45   46   48   48 
LCS_GDT     T    99_A     T    99_A      5   13   45      3    4    6   10   13   15   19   21   25   27   32   37   41   43   43   45   45   46   48   48 
LCS_GDT     N   100_A     N   100_A      7   13   45      3    5    9   11   13   15   19   21   22   25   28   30   34   39   40   43   44   45   48   48 
LCS_GDT     A   101_A     A   101_A      7   13   45      4    6    7   11   13   15   17   21   22   25   28   30   31   35   35   40   42   45   45   47 
LCS_GDT     Y   102_A     Y   102_A      7   13   45      5    6    9   11   13   15   19   21   25   26   32   37   41   43   43   45   45   46   48   48 
LCS_GDT     I   103_A     I   103_A      7   13   45      5    6   13   16   18   20   22   24   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     A   104_A     A   104_A      7   13   45      5    6   12   16   18   20   22   22   25   28   32   37   41   43   43   45   45   46   48   48 
LCS_GDT     V   105_A     V   105_A      7   13   45      5    6    9   15   17   20   22   24   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     L   106_A     L   106_A      7   13   45      5    6   15   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     E   107_A     E   107_A      7   13   45      4    5    9   11   13   15   19   21   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     G   108_A     G   108_A      5   13   45      4    4    9   11   13   15   21   24   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     D   109_A     D   109_A      5   13   45      4    4    9   11   13   15   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     P   110_A     P   110_A      5   13   45      3    3    5   10   13   15   19   21   25   27   32   34   41   43   43   45   45   46   48   48 
LCS_GDT     E   111_A     E   111_A      3   13   45      3    3    6   10   13   21   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     A   112_A     A   112_A      5    8   45      4    4    5   10   17   21   22   24   27   28   29   34   41   43   43   45   45   46   48   48 
LCS_GDT     I   113_A     I   113_A      5    7   45      4    4    5    6   15   18   20   23   25   27   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     A   114_A     A   114_A      5    7   45      4    4    5    6    8   11   17   24   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     R   115_A     R   115_A      5   21   45      4    4    5    6    7   10   15   22   27   28   33   35   40   43   43   45   45   46   48   48 
LCS_GDT     F   116_A     F   116_A      5   22   45      3    4    5    6    7   10   19   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     L   117_A     L   117_A     12   22   45      3   10   14   18   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     G   118_A     G   118_A     14   22   45      6   12   14   19   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     I   119_A     I   119_A     14   22   45      6   12   15   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     S   120_A     S   120_A     14   22   45      6   12   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     L   121_A     L   121_A     16   22   45      6   12   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     E   122_A     E   122_A     16   22   45      6   12   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     E   123_A     E   123_A     16   22   45      6   12   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     V   124_A     V   124_A     16   22   45      6   12   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     Q   125_A     Q   125_A     16   22   45      6   12   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     E   126_A     E   126_A     16   22   45      6   12   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     I   127_A     I   127_A     16   22   45      4   11   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     I   128_A     I   128_A     16   22   45      5   11   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     D   129_A     D   129_A     16   22   45      7   12   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     A   130_A     A   130_A     16   22   45      7   11   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     A   131_A     A   131_A     16   22   45      7   11   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     R   132_A     R   132_A     16   22   45      7   11   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     K   133_A     K   133_A     16   22   45      7   12   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     A   134_A     A   134_A     16   22   45      7   11   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     V   135_A     V   135_A     16   22   45      7   11   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     K   136_A     K   136_A     16   22   45      7   11   16   20   21   22   24   25   28   32   33   37   41   43   43   45   45   46   48   48 
LCS_GDT     E   137_A     E   137_A     16   22   45      6   12   16   20   21   22   24   25   27   32   33   36   40   43   43   45   45   46   48   48 
LCS_AVERAGE  LCS_A:  14.23  (   7.79   10.43   24.47 )

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     15     16     17     20     21     22     24     25     28     32     33     37     41     43     43     45     45     46     48     48 
GDT PERCENT_AT  10.64  11.35  12.06  14.18  14.89  15.60  17.02  17.73  19.86  22.70  23.40  26.24  29.08  30.50  30.50  31.91  31.91  32.62  34.04  34.04
GDT RMS_LOCAL    0.30   0.33   0.52   1.23   1.33   1.52   1.95   2.11   2.88   3.16   3.30   4.08   4.40   4.49   4.49   4.78   4.78   4.92   5.26   5.26
GDT RMS_ALL_AT  50.68  50.51  50.62  37.74  36.81  35.59  35.80  35.66  38.42  38.91  38.78  41.43  40.58  40.60  40.60  38.87  38.87  39.26  39.11  39.11

# Checking swapping
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  D    37_A      D    37_A
#   possible swapping detected:  Y    46_A      Y    46_A
#   possible swapping detected:  D    53_A      D    53_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    61_A      E    61_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    71_A      E    71_A
#   possible swapping detected:  Y   102_A      Y   102_A
#   possible swapping detected:  E   111_A      E   111_A
#   possible swapping detected:  F   116_A      F   116_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  E   126_A      E   126_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P    29_A      P    29_A    62.423     0    0.037   0.335    64.691    0.000    0.000
LGA    H    30_A      H    30_A    63.880     0    0.620   1.191    68.234    0.000    0.000
LGA    E    31_A      E    31_A    60.862     0    0.189   0.948    61.765    0.000    0.000
LGA    R    32_A      R    32_A    57.584     0    0.033   1.243    58.768    0.000    0.000
LGA    Y    33_A      Y    33_A    59.668     0    0.106   1.377    69.655    0.000    0.000
LGA    E    34_A      E    34_A    61.418     0    0.014   1.576    68.659    0.000    0.000
LGA    R    35_A      R    35_A    57.765     0    0.043   1.438    59.023    0.000    0.000
LGA    L    36_A      L    36_A    56.157     0    0.017   1.413    56.959    0.000    0.000
LGA    D    37_A      D    37_A    59.282     0    0.076   1.341    60.965    0.000    0.000
LGA    R    38_A      R    38_A    58.562     0    0.070   1.288    59.006    0.000    0.000
LGA    W    39_A      W    39_A    54.922     0    0.078   1.353    56.153    0.000    0.000
LGA    I    40_A      I    40_A    55.422     0    0.040   0.062    56.676    0.000    0.000
LGA    T    41_A      T    41_A    58.001     0    0.047   1.134    62.024    0.000    0.000
LGA    E    42_A      E    42_A    55.963     0    0.068   0.866    60.033    0.000    0.000
LGA    Q    43_A      Q    43_A    53.267     0    0.017   0.940    54.239    0.000    0.000
LGA    L    44_A      L    44_A    55.447     0    0.012   1.330    59.718    0.000    0.000
LGA    I    45_A      I    45_A    56.566     0    0.132   0.236    60.183    0.000    0.000
LGA    Y    46_A      Y    46_A    53.260     0    0.373   1.181    54.427    0.000    0.000
LGA    R    52_A      R    52_A    51.677     0    0.035   1.357    53.492    0.000    0.000
LGA    D    53_A      D    53_A    50.317     0    0.539   1.018    50.377    0.000    0.000
LGA    E    54_A      E    54_A    49.938     0    0.599   1.562    49.938    0.000    0.000
LGA    W    55_A      W    55_A    49.340     0    0.640   0.571    51.932    0.000    0.000
LGA    I    56_A      I    56_A    49.286     0    0.224   1.393    51.725    0.000    0.000
LGA    D    57_A      D    57_A    52.740     0    0.093   0.446    55.638    0.000    0.000
LGA    A    58_A      A    58_A    55.764     0    0.133   0.138    58.040    0.000    0.000
LGA    L    59_A      L    59_A    56.190     0    0.041   1.407    58.521    0.000    0.000
LGA    A    60_A      A    60_A    56.967     0    0.029   0.030    60.394    0.000    0.000
LGA    E    61_A      E    61_A    61.156     0    0.157   1.050    63.889    0.000    0.000
LGA    A    62_A      A    62_A    63.674     0    0.121   0.123    66.231    0.000    0.000
LGA    A    63_A      A    63_A    63.764     0    0.043   0.040    67.013    0.000    0.000
LGA    G    64_A      G    64_A    66.987     0    0.521   0.521    67.199    0.000    0.000
LGA    I    65_A      I    65_A    45.912     0    0.586   0.577    46.219    0.000    0.000
LGA    F    66_A      F    66_A    47.437     0    0.062   1.268    47.893    0.000    0.000
LGA    K    67_A      K    67_A    45.578     0    0.044   0.605    46.055    0.000    0.000
LGA    E    68_A      E    68_A    44.275     0    0.082   0.412    44.958    0.000    0.000
LGA    A    69_A      A    69_A    46.345     0    0.076   0.085    47.271    0.000    0.000
LGA    L    70_A      L    70_A    46.792     0    0.625   1.322    47.087    0.000    0.000
LGA    E    71_A      E    71_A    44.424     0    0.686   1.332    45.632    0.000    0.000
LGA    R    72_A      R    72_A    42.207     0    0.030   1.041    42.455    0.000    0.000
LGA    N    73_A      N    73_A    42.706     0    0.483   1.032    48.972    0.000    0.000
LGA    I    74_A      I    74_A    38.518     0    0.549   0.603    40.195    0.000    0.000
LGA    T    75_A      T    75_A    39.266     0    0.611   1.077    43.145    0.000    0.000
LGA    T    76_A      T    76_A    35.125     0    0.301   0.395    36.242    0.000    0.000
LGA    P    77_A      P    77_A    33.373     0    0.655   0.764    35.528    0.000    0.000
LGA    E    78_A      E    78_A    30.911     0    0.107   0.195    32.513    0.000    0.000
LGA    E    79_A      E    79_A    28.960     0    0.078   0.080    36.141    0.000    0.000
LGA    F    80_A      F    80_A    25.255     0    0.027   1.224    27.145    0.000    0.000
LGA    N    81_A      N    81_A    22.884     0    0.030   0.891    25.580    0.000    0.000
LGA    A    82_A      A    82_A    21.236     0    0.062   0.067    22.818    0.000    0.000
LGA    F    83_A      F    83_A    19.360     0    0.119   0.256    21.074    0.000    0.000
LGA    L    84_A      L    84_A    15.875     0    0.021   0.035    18.503    0.000    0.000
LGA    K    85_A      K    85_A    14.667     0    0.164   1.012    18.443    0.000    0.000
LGA    E    86_A      E    86_A    13.303     0    0.057   0.676    16.692    0.000    0.000
LGA    K    87_A      K    87_A    13.323     0    0.131   1.078    21.888    0.000    0.000
LGA    G    88_A      G    88_A    13.324     0    0.527   0.527    13.324    0.000    0.000
LGA    K    89_A      K    89_A     9.990     0    0.121   0.666    12.534    2.024    0.899
LGA    R    90_A      R    90_A     7.137     0    0.025   1.103    11.834    9.286    4.978
LGA    A    91_A      A    91_A     8.341     0    0.009   0.008    10.198    5.952    4.762
LGA    V    92_A      V    92_A     9.772     0    0.093   0.106    13.310    1.310    0.748
LGA    D    93_A      D    93_A     9.576     0    0.035   0.072    11.972    1.190    0.595
LGA    L    94_A      L    94_A     8.885     0    0.107   1.382    11.075    3.452    2.321
LGA    V    95_A      V    95_A     7.307     0    0.050   0.071     8.743    6.429    6.395
LGA    A    96_A      A    96_A    11.634     0    0.071   0.078    13.787    0.119    0.095
LGA    T    97_A      T    97_A    13.850     0    0.347   1.192    15.547    0.000    0.000
LGA    L    98_A      L    98_A    11.514     0    0.597   0.556    12.199    0.000    0.119
LGA    T    99_A      T    99_A    12.196     0    0.585   0.619    14.021    0.000    0.000
LGA    N   100_A      N   100_A    14.548     0    0.189   0.165    20.099    0.000    0.000
LGA    A   101_A      A   101_A    15.180     0    0.216   0.222    16.796    0.000    0.000
LGA    Y   102_A      Y   102_A     9.412     0    0.220   1.146    17.092    8.214    2.778
LGA    I   103_A      I   103_A     7.011     0    0.015   0.115     8.671    9.405    9.226
LGA    A   104_A      A   104_A    10.251     0    0.025   0.028    12.522    1.786    1.429
LGA    V   105_A      V   105_A     6.671     0    0.076   0.102     9.766   25.238   18.367
LGA    L   106_A      L   106_A     2.083     0    0.081   1.070     5.003   44.524   48.571
LGA    E   107_A      E   107_A     6.516     0    0.029   0.248    10.290   15.476    8.519
LGA    G   108_A      G   108_A     6.219     0    0.034   0.034     6.391   20.476   20.476
LGA    D   109_A      D   109_A     4.014     0    0.383   0.850     4.211   40.238   48.750
LGA    P   110_A      P   110_A     6.000     0    0.690   0.635     7.530   19.048   16.190
LGA    E   111_A      E   111_A     4.099     0    0.580   0.982     6.374   30.714   38.519
LGA    A   112_A      A   112_A     6.729     0    0.608   0.578     8.908   17.024   14.190
LGA    I   113_A      I   113_A     7.079     0    0.023   0.092    12.771   19.881   10.298
LGA    A   114_A      A   114_A     4.914     0    0.274   0.287     6.067   27.857   26.571
LGA    R   115_A      R   115_A     5.474     0    0.055   0.748    10.932   28.214   11.645
LGA    F   116_A      F   116_A     4.345     0    0.608   1.505     9.867   37.619   20.563
LGA    L   117_A      L   117_A     2.585     0    0.411   1.371     7.907   56.786   42.083
LGA    G   118_A      G   118_A     0.389     0    0.368   0.368     1.659   93.214   93.214
LGA    I   119_A      I   119_A     1.077     0    0.185   1.392     5.161   79.286   67.619
LGA    S   120_A      S   120_A     0.981     0    0.054   0.071     1.560   83.690   81.508
LGA    L   121_A      L   121_A     1.590     0    0.044   0.851     4.394   75.000   62.083
LGA    E   122_A      E   122_A     2.110     0    0.057   1.217     5.928   68.810   55.873
LGA    E   123_A      E   123_A     1.546     0    0.051   0.788     1.726   77.143   78.677
LGA    V   124_A      V   124_A     0.879     0    0.129   0.129     1.160   85.952   85.306
LGA    Q   125_A      Q   125_A     0.722     0    0.018   1.306     8.095   90.476   61.640
LGA    E   126_A      E   126_A     0.743     0    0.164   0.573     2.527   90.476   78.201
LGA    I   127_A      I   127_A     1.548     0    0.056   0.669     5.437   81.548   67.381
LGA    I   128_A      I   128_A     1.079     0    0.029   0.061     2.635   85.952   76.429
LGA    D   129_A      D   129_A     1.040     0    0.143   0.142     2.819   83.690   73.333
LGA    A   130_A      A   130_A     1.657     0    0.046   0.052     2.528   77.143   73.143
LGA    A   131_A      A   131_A     1.948     0    0.040   0.046     2.856   79.286   74.857
LGA    R   132_A      R   132_A     1.759     0    0.039   1.556    10.321   77.143   45.281
LGA    K   133_A      K   133_A     1.633     0    0.019   0.678     7.932   79.286   53.439
LGA    A   134_A      A   134_A     1.620     0    0.035   0.033     2.502   79.286   74.857
LGA    V   135_A      V   135_A     1.739     0    0.014   0.016     3.383   75.000   65.306
LGA    K   136_A      K   136_A     2.548     0    0.054   0.523     6.215   62.976   46.772
LGA    E   137_A      E   137_A     2.490     0    0.239   0.417     4.753   63.095   50.159

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     842    842  100.00               141
SUMMARY(RMSD_GDC):    21.662         21.754                 22.071           14.331   12.228

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  141    4.0     25    2.11    18.794    16.816     1.130

LGA_LOCAL      RMSD:   2.113  Number of atoms:   25  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  35.656  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:  21.662  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.171993 * X  +   0.770505 * Y  +  -0.613792 * Z  + -76.613998
  Y_new =   0.379951 * X  +  -0.522979 * Y  +  -0.762974 * Z  +  12.890014
  Z_new =  -0.908876 * X  +  -0.364437 * Y  +  -0.202805 * Z  +  38.047791 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.995870  1.140581 -2.078608   [DEG:  114.3549   65.3505 -119.0955 ]
ZXZ: -0.677462  1.775018 -1.952144   [DEG:  -38.8157  101.7010 -111.8496 ]
 
# END of job
