
#######################################################
#                                                     #
#                        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:    68      22_A - 89_A        4.57    26.70
  LONGEST_CONTINUOUS_SEGMENT:    68      23_A - 90_A        4.99    26.51
  LCS_AVERAGE:     50.29

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      58_A - 86_A        1.94    24.73
  LCS_AVERAGE:     17.25

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      61_A - 83_A        0.93    25.26
  LCS_AVERAGE:     10.23

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    8   68      3    3   14   16   20   24   30   35   45   51   55   59   61   62   64   66   66   68   68   68 
LCS_GDT     K    23_A     K    23_A      5   18   68      3    4   14   21   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     V    24_A     V    24_A      7   18   68      3    5    8   21   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     H    25_A     H    25_A      7   18   68      3    5    7   21   27   34   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     I    26_A     I    26_A      7   18   68      3    8   17   22   27   33   40   45   48   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     I    27_A     I    27_A      7   18   68      5   12   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     K    28_A     K    28_A      7   18   68      5   12   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     C    29_A     C    29_A      7   18   68      5   12   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     H    30_A     H    30_A      7   18   68      3    7   15   21   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     F    31_A     F    31_A      7   18   68      5   12   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     D    32_A     D    32_A      4   18   68      3    4    9   20   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     K    33_A     K    33_A      7   18   68      4   12   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     C    34_A     C    34_A      7   18   68      4   12   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     N    35_A     N    35_A      7   18   68      3    6    7   20   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     K    36_A     K    36_A      7   18   68      5   12   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     S    37_A     S    37_A      7   18   68      5   12   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     Y    38_A     Y    38_A      7   18   68      5   12   16   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     N    39_A     N    39_A      7   19   68      5   12   16   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     W    40_A     W    40_A      3   19   68      0    9   14   20   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     R    41_A     R    41_A      3   19   68      0    9   17   20   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     K    42_A     K    42_A      4   19   68      4    7   13   20   23   31   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     K    43_A     K    43_A      4   19   68      9   11   15   21   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     Y    44_A     Y    44_A      4   20   68      3   11   15   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     G    45_A     G    45_A     13   20   68      3    4    9   14   19   24   29   37   46   52   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     K    46_A     K    46_A     13   20   68      5   13   17   20   23   30   39   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     L    47_A     L    47_A     13   20   68      5   13   17   20   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     R    48_A     R    48_A     13   20   68      9   13   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     L    49_A     L    49_A     13   20   68      8   13   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     V    50_A     V    50_A     13   20   68      9   13   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     D    51_A     D    51_A     13   20   68      9   13   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     H    52_A     H    52_A     13   20   68      9   13   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     A    53_A     A    53_A     13   20   68      9   13   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     F    54_A     F    54_A     13   20   68      9   13   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     T    55_A     T    55_A     13   20   68      9   13   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     H    56_A     H    56_A     13   20   68      9   13   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     V    57_A     V    57_A     13   20   68      6   13   17   22   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     P    58_A     P    58_A     12   29   68      3    4    5   16   24   33   40   45   49   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     H    59_A     H    59_A      4   29   68      3    5   12   22   26   28   34   37   46   51   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     L    60_A     L    60_A      4   29   68      3    5   10   13   27   33   40   45   49   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     K    61_A     K    61_A     23   29   68      6   18   22   23   26   31   34   38   46   52   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     M    62_A     M    62_A     23   29   68     11   19   22   23   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     K    63_A     K    63_A     23   29   68      8   19   22   23   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     C    64_A     C    64_A     23   29   68     10   19   22   23   27   34   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     N    65_A     N    65_A     23   29   68     11   19   22   23   27   34   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     F    66_A     F    66_A     23   29   68     11   19   22   23   27   31   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     C    67_A     C    67_A     23   29   68      6   19   22   23   27   31   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     D    68_A     D    68_A     23   29   68      3    6   20   23   27   31   34   41   49   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     Y    69_A     Y    69_A     23   29   68      6   19   22   23   27   31   34   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     M    70_A     M    70_A     23   29   68     11   19   22   23   27   33   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     C    71_A     C    71_A     23   29   68     11   19   22   23   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     K    72_A     K    72_A     23   29   68      8   19   22   23   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     G    73_A     G    73_A     23   29   68     11   19   22   23   27   35   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     I    74_A     I    74_A     23   29   68     11   19   22   23   27   31   37   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     R    75_A     R    75_A     23   29   68     11   19   22   23   27   31   34   43   48   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     N    76_A     N    76_A     23   29   68     11   19   22   23   27   31   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     I    77_A     I    77_A     23   29   68     11   19   22   23   27   31   41   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     R    78_A     R    78_A     23   29   68     11   19   22   23   27   31   36   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     L    79_A     L    79_A     23   29   68     11   19   22   23   27   31   34   43   48   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     H    80_A     H    80_A     23   29   68     11   19   22   23   27   31   36   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     H    81_A     H    81_A     23   29   68     11   19   22   23   27   31   36   45   50   54   58   61   63   65   65   66   66   68   68   68 
LCS_GDT     K    82_A     K    82_A     23   29   68      3   19   22   23   27   31   34   37   41   48   52   59   63   65   65   66   66   68   68   68 
LCS_GDT     K    83_A     K    83_A     23   29   68      5   13   20   23   26   31   34   37   40   44   50   55   59   65   65   66   66   68   68   68 
LCS_GDT     S    84_A     S    84_A     17   29   68      3    5   13   22   26   31   34   37   40   48   54   61   63   65   65   66   66   68   68   68 
LCS_GDT     H    85_A     H    85_A      6   29   68      3    5   11   17   27   31   34   42   47   53   57   61   63   65   65   66   66   68   68   68 
LCS_GDT     P    86_A     P    86_A      6   29   68      3    5   22   23   25   31   34   37   41   46   52   57   62   65   65   66   66   68   68   68 
LCS_GDT     D    87_A     D    87_A      6   27   68      4    5    7   11   19   25   32   41   45   53   56   60   63   65   65   66   66   68   68   68 
LCS_GDT     E    88_A     E    88_A      6    8   68      4    5    6    7    7   13   26   28   30   36   41   49   56   60   63   64   66   68   68   68 
LCS_GDT     Q    89_A     Q    89_A      6    8   68      4    5    6    7   10   14   26   28   31   37   42   49   56   60   63   64   66   68   68   68 
LCS_GDT     L    90_A     L    90_A      6    8   68      4    5    6    7    7   12   15   19   24   26   31   36   37   39   43   50   53   59   62   65 
LCS_GDT     T    91_A     T    91_A      6    8   42      4    5    6    7    7    8   10   10   10   13   15   19   21   24   25   31   39   43   49   52 
LCS_GDT     G    92_A     G    92_A      6    8   22      4    5    6    7    7    8   10   10   10   11   13   16   17   22   23   26   30   32   37   39 
LCS_GDT     F    93_A     F    93_A      5    8   24      4    5    6    7    7    8   10   10   11   12   14   16   17   22   23   26   30   32   37   39 
LCS_GDT     G    94_A     G    94_A      4    8   24      3    4    5    6    7    8   10   10   11   12   14   17   20   22   23   26   30   32   37   39 
LCS_GDT     I    95_A     I    95_A      3    7   24      3    4    4    5    7   12   15   16   19   19   20   21   22   24   27   27   31   33   37   39 
LCS_GDT     K    96_A     K    96_A      3    5   24      3    5   12   13   14   15   16   17   19   20   21   22   22   25   27   27   31   33   37   39 
LCS_GDT     S    97_A     S    97_A      3    5   24      3    3    4    4    6   13   16   17   19   20   21   23   23   25   27   27   31   33   37   39 
LCS_GDT     V    98_A     V    98_A      3    5   24      3    3   11   13   14   15   16   17   19   20   21   23   23   25   27   27   31   33   37   39 
LCS_GDT     V    99_A     V    99_A      4    5   24      3    4    4    7    8   12   14   17   18   20   21   23   23   25   26   27   31   33   36   38 
LCS_GDT     R   100_A     R   100_A      4    5   24      3    4    4    4    6    8   10   13   16   18   18   20   21   23   23   26   30   33   36   38 
LCS_GDT     T   101_A     T   101_A      4   14   24      3    4    4    8   12   13   15   17   19   20   21   26   27   29   31   32   34   37   38   39 
LCS_GDT     S   102_A     S   102_A      4   14   24      4    4    4    7   13   14   16   17   19   20   21   23   23   29   31   31   32   37   38   39 
LCS_GDT     K   103_A     K   103_A      4   14   24      4    4    4   11   14   15   16   17   19   20   21   23   23   29   31   31   32   34   37   39 
LCS_GDT     K   104_A     K   104_A     11   14   24      6   11   12   13   14   15   16   17   19   20   21   23   23   25   27   27   31   33   37   39 
LCS_GDT     G   105_A     G   105_A     11   14   24      6   11   12   13   14   15   16   17   19   20   21   23   23   25   27   27   31   33   37   39 
LCS_GDT     K   106_A     K   106_A     11   14   24      6   11   12   13   14   15   16   17   19   20   21   23   23   25   27   27   31   33   37   39 
LCS_GDT     D   107_A     D   107_A     11   14   24      6   11   12   13   14   15   16   17   19   20   21   23   23   25   27   27   31   33   37   39 
LCS_GDT     L   108_A     L   108_A     11   14   24      6   11   12   13   14   15   16   17   19   20   21   23   23   25   27   27   31   33   37   39 
LCS_GDT     A   109_A     A   109_A     11   14   24      6   11   12   13   14   15   16   17   19   20   21   23   23   25   27   27   31   33   37   39 
LCS_GDT     K   110_A     K   110_A     11   14   24      5   11   12   13   14   15   16   17   19   20   21   23   23   25   27   27   31   33   37   39 
LCS_GDT     V   111_A     V   111_A     11   14   24      5   11   12   13   14   15   16   17   19   20   21   23   23   25   27   27   31   33   37   39 
LCS_GDT     W   112_A     W   112_A     11   14   24      5   11   12   13   14   15   16   17   19   20   21   23   23   25   27   27   31   33   37   39 
LCS_GDT     D   113_A     D   113_A     11   14   24      5   11   12   13   14   15   16   17   19   20   21   23   23   25   27   27   31   33   37   39 
LCS_GDT     E   114_A     E   114_A     11   14   24      5   11   12   13   14   15   16   17   19   20   21   23   23   25   27   27   31   33   37   39 
LCS_GDT     C   115_A     C   115_A      6   14   24      3    3    4    9   14   15   16   17   19   20   21   21   22   25   27   27   31   33   37   39 
LCS_GDT     F   116_A     F   116_A      4   14   24      3    3    4    6    9   12   15   17   19   20   21   23   23   25   27   27   31   33   37   39 
LCS_GDT     K   117_A     K   117_A      4    6   24      3    4    4    5    6    7    8   11   13   15   18   23   23   25   27   27   31   33   37   39 
LCS_GDT     K   118_A     K   118_A      4    6   24      3    4    4    5    6    7    8   11   12   15   18   19   21   23   25   27   31   33   36   39 
LCS_GDT     N   119_A     N   119_A      4    6   23      3    4    4    5    6    7    8   11   13   15   18   19   21   23   25   26   30   33   36   37 
LCS_GDT     R   120_A     R   120_A      4    6   23      3    4    4    4    6    7    8   11   12   15   18   19   21   23   23   25   29   31   33   37 
LCS_GDT     V   121_A     V   121_A      3    6   23      3    3    4    4    6    7    8   11   12   15   18   19   21   23   23   24   26   30   33   37 
LCS_GDT     L   122_A     L   122_A      4    6   23      4    4    4    5    6    7    8   11   12   13   16   19   20   21   23   24   24   30   32   37 
LCS_GDT     Q   123_A     Q   123_A      4    4   19      4    4    4    4    4    7    8   11   12   13   14   17   17   19   20   22   23   24   26   29 
LCS_GDT     H   124_A     H   124_A      4    4   19      4    4    4    5    6    7    8   11   12   13   14   17   17   19   20   22   23   24   26   29 
LCS_GDT     G   125_A     G   125_A      4    4   18      4    4    4    4    4    5    7    8   11   13   14   17   17   19   20   22   24   27   29   30 
LCS_GDT     S   126_A     S   126_A      3    3   17      0    3    3    3    3    4    6    8   11   12   14   16   17   18   20   22   24   27   29   30 
LCS_AVERAGE  LCS_A:  25.93  (  10.23   17.25   50.29 )

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     11     19     22     23     27     35     41     45     50     54     58     61     63     65     65     66     66     68     68     68 
GDT PERCENT_AT  10.48  18.10  20.95  21.90  25.71  33.33  39.05  42.86  47.62  51.43  55.24  58.10  60.00  61.90  61.90  62.86  62.86  64.76  64.76  64.76
GDT RMS_LOCAL    0.19   0.63   0.79   0.90   1.60   2.18   2.42   2.56   2.95   3.12   3.37   3.57   3.77   3.98   3.98   4.06   4.06   4.57   4.57   4.57
GDT RMS_ALL_AT  25.39  25.36  25.46  25.34  26.32  27.24  27.34  27.15  27.23  27.16  27.25  27.16  27.02  26.95  26.95  26.96  26.96  26.70  26.70  26.70

# Checking swapping
#   possible swapping detected:  D    32_A      D    32_A
#   possible swapping detected:  Y    38_A      Y    38_A
#   possible swapping detected:  Y    44_A      Y    44_A
#   possible swapping detected:  F    54_A      F    54_A
#   possible swapping detected:  D    87_A      D    87_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     6.661     0    0.334   0.575    11.285   19.762   10.060
LGA    K    23_A      K    23_A     2.135     0    0.154   0.717     6.543   65.119   53.175
LGA    V    24_A      V    24_A     2.405     0    0.054   1.109     5.600   59.167   47.551
LGA    H    25_A      H    25_A     2.903     0    0.071   0.342     6.511   60.952   40.762
LGA    I    26_A      I    26_A     3.642     0    0.183   0.190     5.781   46.667   36.488
LGA    I    27_A      I    27_A     2.596     0    0.100   0.154     2.937   60.952   61.905
LGA    K    28_A      K    28_A     2.120     0    0.065   1.150     8.883   66.786   46.508
LGA    C    29_A      C    29_A     1.205     0    0.095   0.153     2.315   75.119   80.238
LGA    H    30_A      H    30_A     3.012     0    0.278   1.289     9.697   67.262   33.667
LGA    F    31_A      F    31_A     0.660     0    0.096   0.154     4.837   81.548   60.952
LGA    D    32_A      D    32_A     3.159     0    0.591   0.575     6.424   47.738   37.202
LGA    K    33_A      K    33_A     1.473     0    0.378   0.809     4.839   69.286   56.138
LGA    C    34_A      C    34_A     1.301     0    0.561   0.852     2.219   77.262   77.222
LGA    N    35_A      N    35_A     3.384     0    0.094   0.959     6.950   53.571   37.202
LGA    K    36_A      K    36_A     1.880     0    0.046   0.885     4.960   70.833   60.741
LGA    S    37_A      S    37_A     1.882     0    0.079   0.657     4.322   72.857   65.556
LGA    Y    38_A      Y    38_A     1.425     0    0.051   0.210     3.018   69.048   74.087
LGA    N    39_A      N    39_A     2.475     0    0.101   1.156     3.501   80.000   66.905
LGA    W    40_A      W    40_A     2.576     0    0.093   0.781    10.907   64.881   24.082
LGA    R    41_A      R    41_A     3.533     0    0.273   1.135     8.723   37.976   29.654
LGA    K    42_A      K    42_A     4.367     0    0.572   1.111    14.724   43.690   22.487
LGA    K    43_A      K    43_A     2.163     0    0.086   0.830     8.400   58.690   37.778
LGA    Y    44_A      Y    44_A     1.692     0    0.645   1.005    11.049   57.619   36.548
LGA    G    45_A      G    45_A     5.617     0    0.468   0.468     5.617   33.333   33.333
LGA    K    46_A      K    46_A     4.003     0    0.177   1.106     4.742   42.143   48.360
LGA    L    47_A      L    47_A     2.679     0    0.035   1.170     3.689   61.190   55.714
LGA    R    48_A      R    48_A     1.482     0    0.045   1.032     4.229   77.262   59.394
LGA    L    49_A      L    49_A     2.251     0    0.039   1.141     4.949   66.786   53.750
LGA    V    50_A      V    50_A     1.761     0    0.027   1.238     3.805   77.143   67.823
LGA    D    51_A      D    51_A     0.937     0    0.050   1.052     4.179   85.952   76.131
LGA    H    52_A      H    52_A     1.427     0    0.051   0.110     1.790   77.143   77.143
LGA    A    53_A      A    53_A     1.893     0    0.025   0.040     2.129   70.833   71.238
LGA    F    54_A      F    54_A     1.641     0    0.086   0.871     2.429   72.857   69.913
LGA    T    55_A      T    55_A     1.658     0    0.125   0.115     1.751   75.000   74.082
LGA    H    56_A      H    56_A     2.403     0    0.333   1.125     3.726   57.500   62.714
LGA    V    57_A      V    57_A     2.435     0    0.053   0.157     4.878   68.810   57.143
LGA    P    58_A      P    58_A     3.469     0    0.223   0.237     4.794   53.571   45.782
LGA    H    59_A      H    59_A     5.522     0    0.634   0.452    10.315   25.357   11.429
LGA    L    60_A      L    60_A     3.402     0    0.118   1.403     6.281   42.024   35.714
LGA    K    61_A      K    61_A     5.615     0    0.633   1.579    15.482   30.357   14.021
LGA    M    62_A      M    62_A     2.874     0    0.022   0.871     6.731   55.595   46.667
LGA    K    63_A      K    63_A     2.419     0    0.068   1.349     7.667   64.881   43.968
LGA    C    64_A      C    64_A     2.766     0    0.049   0.058     4.212   53.690   49.206
LGA    N    65_A      N    65_A     2.971     0    0.215   1.122     4.960   45.714   51.488
LGA    F    66_A      F    66_A     5.743     0    0.274   1.377    12.831   19.167    8.701
LGA    C    67_A      C    67_A     6.412     0    0.611   0.566     6.997   17.262   15.952
LGA    D    68_A      D    68_A     7.400     0    0.171   0.952    10.545   10.119    5.774
LGA    Y    69_A      Y    69_A     6.888     0    0.062   0.131     9.707   22.500   11.389
LGA    M    70_A      M    70_A     4.931     0    0.023   1.068     8.950   30.357   23.036
LGA    C    71_A      C    71_A     2.712     0    0.092   0.796     3.630   59.167   56.190
LGA    K    72_A      K    72_A     0.848     0    0.637   1.139     3.258   75.476   69.947
LGA    G    73_A      G    73_A     2.504     0    0.103   0.103     2.878   59.048   59.048
LGA    I    74_A      I    74_A     3.992     0    0.035   1.128     7.759   38.810   29.821
LGA    R    75_A      R    75_A     5.517     0    0.029   0.739    10.218   25.119   14.026
LGA    N    76_A      N    76_A     4.417     0    0.036   0.777     7.111   34.286   28.631
LGA    I    77_A      I    77_A     3.679     0    0.046   0.063     4.836   37.381   46.369
LGA    R    78_A      R    78_A     5.733     0    0.030   1.470    13.297   20.833   11.775
LGA    L    79_A      L    79_A     7.280     0    0.038   1.393    10.920   10.119    6.369
LGA    H    80_A      H    80_A     6.500     0    0.024   0.196     7.625   13.690   16.286
LGA    H    81_A      H    81_A     6.868     0    0.076   0.984     8.632    9.524   27.048
LGA    K    82_A      K    82_A    10.216     0    0.038   1.049    11.632    0.714    0.317
LGA    K    83_A      K    83_A    11.944     0    0.042   0.908    18.655    0.000    0.000
LGA    S    84_A      S    84_A     9.838     0    0.253   0.641    11.005    0.833    1.032
LGA    H    85_A      H    85_A     8.082     0    0.172   1.173     9.504    2.976    6.143
LGA    P    86_A      P    86_A    11.974     0    0.566   0.520    13.480    0.000    0.000
LGA    D    87_A      D    87_A     9.823     0    0.666   1.203    13.372    0.238   12.381
LGA    E    88_A      E    88_A    14.799     0    0.054   1.006    18.746    0.000    0.000
LGA    Q    89_A      Q    89_A    16.134     0    0.117   1.011    19.145    0.000    0.000
LGA    L    90_A      L    90_A    21.804     0    0.030   0.585    24.427    0.000    0.000
LGA    T    91_A      T    91_A    25.389     0    0.055   1.206    27.965    0.000    0.000
LGA    G    92_A      G    92_A    29.050     0    0.129   0.129    32.417    0.000    0.000
LGA    F    93_A      F    93_A    35.105     0    0.563   1.506    36.635    0.000    0.000
LGA    G    94_A      G    94_A    40.145     0    0.543   0.543    42.042    0.000    0.000
LGA    I    95_A      I    95_A    40.670     0    0.053   0.077    42.768    0.000    0.000
LGA    K    96_A      K    96_A    42.134     0    0.078   0.940    47.801    0.000    0.000
LGA    S    97_A      S    97_A    39.147     0    0.714   0.730    39.947    0.000    0.000
LGA    V    98_A      V    98_A    34.342     0    0.576   1.454    36.071    0.000    0.000
LGA    V    99_A      V    99_A    34.604     0    0.613   0.615    36.505    0.000    0.000
LGA    R   100_A      R   100_A    32.539     0    0.145   1.225    37.351    0.000    0.000
LGA    T   101_A      T   101_A    29.679     0    0.697   0.657    31.282    0.000    0.000
LGA    S   102_A      S   102_A    30.253     0    0.609   0.787    34.229    0.000    0.000
LGA    K   103_A      K   103_A    32.467     0    0.091   0.952    35.581    0.000    0.000
LGA    K   104_A      K   104_A    32.894     4    0.364   0.354    35.154    0.000    0.000
LGA    G   105_A      G   105_A    36.640     0    0.060   0.060    39.309    0.000    0.000
LGA    K   106_A      K   106_A    40.114     0    0.046   1.366    42.216    0.000    0.000
LGA    D   107_A      D   107_A    37.795     0    0.043   0.073    38.795    0.000    0.000
LGA    L   108_A      L   108_A    37.800     0    0.025   1.038    40.688    0.000    0.000
LGA    A   109_A      A   109_A    43.110     0    0.040   0.041    45.887    0.000    0.000
LGA    K   110_A      K   110_A    44.893     0    0.049   1.026    48.139    0.000    0.000
LGA    V   111_A      V   111_A    42.959     0    0.079   0.988    45.018    0.000    0.000
LGA    W   112_A      W   112_A    46.327     0    0.028   1.021    49.730    0.000    0.000
LGA    D   113_A      D   113_A    50.793     0    0.478   1.438    54.656    0.000    0.000
LGA    E   114_A      E   114_A    49.651     0    0.658   1.215    50.350    0.000    0.000
LGA    C   115_A      C   115_A    49.133     0    0.613   0.645    49.158    0.000    0.000
LGA    F   116_A      F   116_A    50.660     0    0.575   1.318    54.001    0.000    0.000
LGA    K   117_A      K   117_A    53.559     0    0.644   0.698    58.119    0.000    0.000
LGA    K   118_A      K   118_A    52.371     0    0.568   1.646    54.486    0.000    0.000
LGA    N   119_A      N   119_A    52.744     0    0.391   1.041    53.550    0.000    0.000
LGA    R   120_A      R   120_A    56.548     6    0.673   0.634    58.740    0.000    0.000
LGA    V   121_A      V   121_A    55.469     0    0.680   0.992    57.145    0.000    0.000
LGA    L   122_A      L   122_A    57.012     0    0.708   1.035    58.341    0.000    0.000
LGA    Q   123_A      Q   123_A    62.337     0    0.048   1.424    68.316    0.000    0.000
LGA    H   124_A      H   124_A    62.497     0    0.100   0.223    66.857    0.000    0.000
LGA    G   125_A      G   125_A    67.118     0    0.598   0.598    67.118    0.000    0.000
LGA    S   126_A      S   126_A    65.912     0    0.221   0.711    67.126    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):    18.814         18.737                 19.731           29.824   25.259

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0     45    2.56    36.429    33.444     1.690

LGA_LOCAL      RMSD:   2.563  Number of atoms:   45  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  27.148  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:  18.814  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.428086 * X  +   0.403517 * Y  +  -0.808651 * Z  + -24.787357
  Y_new =   0.829612 * X  +  -0.530362 * Y  +   0.174531 * Z  + -90.600121
  Z_new =  -0.358451 * X  +  -0.745581 * Y  +  -0.561803 * Z  +  73.139816 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.094425  0.366608 -2.216540   [DEG:   62.7059   21.0051 -126.9984 ]
ZXZ: -1.783366  2.167360 -2.693449   [DEG: -102.1793  124.1805 -154.3233 ]
 
# END of job
