
#######################################################
#                                                     #
#                        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:    48      41_A - 88_A        4.90    27.40
  LONGEST_CONTINUOUS_SEGMENT:    48      42_A - 89_A        4.78    27.22
  LONGEST_CONTINUOUS_SEGMENT:    48      43_A - 90_A        4.78    27.07
  LONGEST_CONTINUOUS_SEGMENT:    48      44_A - 91_A        4.89    26.85
  LCS_AVERAGE:     37.90

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      57_A - 84_A        1.96    27.77
  LONGEST_CONTINUOUS_SEGMENT:    28      58_A - 85_A        1.69    27.44
  LCS_AVERAGE:     15.56

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      61_A - 84_A        0.93    27.27
  LCS_AVERAGE:     10.07

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      5    8   39      4    4    6    8   10   12   12   13   20   29   30   31   33   33   35   40   42   45   48   50 
LCS_GDT     K    23_A     K    23_A      6   18   39      4    6    8    9   12   19   23   26   29   30   32   33   33   36   37   40   42   46   48   58 
LCS_GDT     V    24_A     V    24_A      6   18   39      4    6    8   12   20   23   25   27   29   31   32   35   37   47   49   52   55   60   61   62 
LCS_GDT     H    25_A     H    25_A     10   18   39      4    9   19   22   26   26   26   32   34   41   43   46   47   49   51   55   57   60   63   66 
LCS_GDT     I    26_A     I    26_A     10   18   39      3   14   19   22   26   26   30   33   37   41   43   46   48   50   52   55   58   60   64   66 
LCS_GDT     I    27_A     I    27_A     10   18   39      4   16   19   23   26   26   30   33   37   41   43   48   49   51   54   56   60   63   64   66 
LCS_GDT     K    28_A     K    28_A     10   18   39      9   16   19   23   26   26   30   33   37   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     C    29_A     C    29_A     10   18   39      9   16   19   23   26   26   30   33   37   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     H    30_A     H    30_A     10   18   39      5   16   19   23   26   26   30   33   37   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     F    31_A     F    31_A     10   18   39      9   16   19   23   26   26   30   33   37   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     D    32_A     D    32_A     10   18   39      8   16   19   23   26   26   30   33   37   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     K    33_A     K    33_A     10   18   39      4    5   17   22   26   26   29   33   35   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     C    34_A     C    34_A     10   18   39      9   16   19   23   26   26   30   33   37   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     N    35_A     N    35_A     10   18   39      4   10   19   23   26   26   30   33   37   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     K    36_A     K    36_A     10   18   39      9   16   19   23   26   26   30   33   37   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     S    37_A     S    37_A     10   18   39      9   16   19   23   26   26   30   33   37   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     Y    38_A     Y    38_A      7   18   39      4   16   19   23   26   26   30   33   37   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     N    39_A     N    39_A      7   18   39      4   16   19   23   26   26   30   33   37   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     W    40_A     W    40_A      7   18   47      3   16   19   23   26   26   30   33   37   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     R    41_A     R    41_A      4   18   48      3    4    4    4   11   12   16   18   26   30   32   33   35   37   40   49   55   60   63   66 
LCS_GDT     K    42_A     K    42_A      4   18   48      3    4    5   12   15   20   24   28   30   31   32   33   35   37   40   45   55   60   63   66 
LCS_GDT     K    43_A     K    43_A      4    5   48      3    4    4    5    9   16   22   28   30   31   32   34   38   50   54   56   60   63   64   66 
LCS_GDT     Y    44_A     Y    44_A      4    5   48      3    4    4    6   12   20   25   28   31   40   42   45   49   52   54   56   60   63   64   66 
LCS_GDT     G    45_A     G    45_A      3    5   48      3    3    4    7   13   20   26   33   38   40   42   45   49   52   54   56   60   63   64   66 
LCS_GDT     K    46_A     K    46_A      3    5   48      3    3    7    9   13   23   30   34   38   40   42   42   45   47   50   56   60   63   64   66 
LCS_GDT     L    47_A     L    47_A      3   11   48      3    3    4    6   14   21   27   32   38   40   42   42   45   46   50   56   60   63   64   66 
LCS_GDT     R    48_A     R    48_A     10   11   48      6    9   11   23   26   26   30   33   37   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     L    49_A     L    49_A     10   11   48      6    9   12   23   26   26   30   33   37   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     V    50_A     V    50_A     10   11   48      6    9   18   23   26   26   30   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     D    51_A     D    51_A     10   11   48      6   14   19   23   26   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     H    52_A     H    52_A     10   11   48      9   16   19   23   26   26   30   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     A    53_A     A    53_A     10   11   48      9   16   19   23   26   26   30   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     F    54_A     F    54_A     10   11   48      9   16   19   23   26   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     T    55_A     T    55_A     10   11   48      8   16   19   23   26   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     H    56_A     H    56_A     10   11   48      8   16   19   23   26   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     V    57_A     V    57_A     10   28   48      4   15   19   23   26   26   30   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     P    58_A     P    58_A      4   28   48      3    6   11   22   24   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     H    59_A     H    59_A      4   28   48      3    6   10   22   25   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     L    60_A     L    60_A      4   28   48      3    3    4    6   17   24   26   32   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     K    61_A     K    61_A     24   28   48      4   15   23   24   25   26   31   34   38   40   42   48   49   52   54   56   60   63   64   66 
LCS_GDT     M    62_A     M    62_A     24   28   48      8   19   23   24   25   26   31   34   38   40   42   48   49   52   54   56   60   63   64   66 
LCS_GDT     K    63_A     K    63_A     24   28   48     10   19   23   24   25   26   31   34   38   40   42   48   49   52   54   56   60   63   64   66 
LCS_GDT     C    64_A     C    64_A     24   28   48      4   19   23   24   25   26   31   34   38   40   42   48   49   52   54   56   60   63   64   66 
LCS_GDT     N    65_A     N    65_A     24   28   48      3   13   23   24   25   26   31   34   38   40   42   45   49   52   54   56   60   63   64   66 
LCS_GDT     F    66_A     F    66_A     24   28   48      5   19   23   24   25   26   31   34   38   40   42   45   49   52   54   56   60   63   64   66 
LCS_GDT     C    67_A     C    67_A     24   28   48      5   19   23   24   25   26   31   34   38   40   42   42   47   50   54   56   60   63   64   66 
LCS_GDT     D    68_A     D    68_A     24   28   48      4   15   23   24   25   26   31   32   37   40   42   42   45   47   53   56   60   63   64   66 
LCS_GDT     Y    69_A     Y    69_A     24   28   48     10   19   23   24   25   26   31   34   38   40   42   48   49   52   54   56   60   63   64   66 
LCS_GDT     M    70_A     M    70_A     24   28   48     10   19   23   24   25   26   31   34   38   40   42   48   49   52   54   56   60   63   64   66 
LCS_GDT     C    71_A     C    71_A     24   28   48     10   19   23   24   25   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     K    72_A     K    72_A     24   28   48      4   19   23   24   25   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     G    73_A     G    73_A     24   28   48      6   19   23   24   25   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     I    74_A     I    74_A     24   28   48      5   19   23   24   25   26   31   34   38   40   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     R    75_A     R    75_A     24   28   48      5   19   23   24   25   26   31   34   38   40   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     N    76_A     N    76_A     24   28   48     10   19   23   24   25   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     I    77_A     I    77_A     24   28   48     10   19   23   24   25   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     R    78_A     R    78_A     24   28   48     10   19   23   24   25   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     L    79_A     L    79_A     24   28   48     10   19   23   24   25   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     H    80_A     H    80_A     24   28   48     10   19   23   24   25   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     H    81_A     H    81_A     24   28   48     10   19   23   24   25   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     K    82_A     K    82_A     24   28   48      5   13   23   24   25   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     K    83_A     K    83_A     24   28   48      5   19   23   24   25   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     S    84_A     S    84_A     24   28   48      5   12   20   24   25   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     H    85_A     H    85_A     17   28   48      5    9   19   24   25   26   31   34   38   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     P    86_A     P    86_A      5   26   48      3    4    6    8   10   15   21   27   28   29   32   35   39   44   49   56   60   63   64   66 
LCS_GDT     D    87_A     D    87_A      5   16   48      3    4    6   10   14   20   24   27   28   29   34   37   41   48   53   56   60   63   64   66 
LCS_GDT     E    88_A     E    88_A      5   10   48      3    5    6   10   17   22   25   32   37   41   43   48   49   52   54   56   60   63   64   66 
LCS_GDT     Q    89_A     Q    89_A      5   10   48      4    5    6    7   10   15   20   24   28   29   30   46   47   49   52   55   58   63   64   66 
LCS_GDT     L    90_A     L    90_A      5   10   48      4    5    5    6    9   11   14   18   34   39   42   46   47   49   53   55   58   63   64   66 
LCS_GDT     T    91_A     T    91_A      5   10   48      4    5    6    8   10   12   16   21   25   30   36   40   43   48   53   55   57   63   64   66 
LCS_GDT     G    92_A     G    92_A      5   10   43      4    5    5    7   10   11   13   14   17   20   25   27   31   36   40   44   49   53   56   60 
LCS_GDT     F    93_A     F    93_A      5   10   37      3    5    5    7   10   11   13   16   17   21   25   27   30   32   34   38   44   47   49   53 
LCS_GDT     G    94_A     G    94_A      4   10   37      3    4    6    8   10   11   14   16   17   22   25   27   30   32   34   34   36   36   41   47 
LCS_GDT     I    95_A     I    95_A      3    5   35      3    3    4    4    7    9   12   14   15   17   18   20   24   26   29   31   32   35   35   36 
LCS_GDT     K    96_A     K    96_A      3    5   24      3    7    7    9   12   13   14   15   17   18   19   21   22   26   29   31   32   35   35   36 
LCS_GDT     S    97_A     S    97_A      3    5   25      3    4    4    4    6    8   10   14   16   17   17   21   21   23   27   30   30   33   35   36 
LCS_GDT     V    98_A     V    98_A      3    5   26      3    4    5    5   12   13   14   15   17   18   19   21   21   22   24   26   30   32   33   35 
LCS_GDT     V    99_A     V    99_A      4    5   27      3    4    4    6   10   13   14   15   17   20   22   22   24   26   27   27   27   28   30   35 
LCS_GDT     R   100_A     R   100_A      4    5   27      3    4    4    4    6   10   13   15   17   20   22   22   24   26   27   27   27   27   28   28 
LCS_GDT     T   101_A     T   101_A      4    8   27      3    4    4    6   10   13   13   15   17   20   22   22   24   26   27   27   27   27   33   38 
LCS_GDT     S   102_A     S   102_A      5   13   27      4    4    9   11   12   13   14   15   17   20   22   22   24   26   27   27   31   33   36   40 
LCS_GDT     K   103_A     K   103_A      5   13   27      4    4    9   11   12   13   14   15   17   20   22   22   24   26   27   27   31   33   36   40 
LCS_GDT     K   104_A     K   104_A      6   13   27      5    7    9   11   12   13   14   15   17   20   22   22   24   26   27   27   30   32   33   35 
LCS_GDT     G   105_A     G   105_A      6   13   27      5    7    9   11   12   13   14   15   17   20   22   22   24   26   27   27   30   32   33   35 
LCS_GDT     K   106_A     K   106_A      6   13   27      5    7    9   11   12   13   14   15   17   20   22   22   24   26   27   27   30   32   33   35 
LCS_GDT     D   107_A     D   107_A      6   13   27      5    7    9   11   12   13   14   15   17   20   22   22   24   26   27   27   30   32   33   35 
LCS_GDT     L   108_A     L   108_A      6   13   27      5    7    9   11   12   13   14   15   17   20   22   22   24   26   27   27   30   32   33   35 
LCS_GDT     A   109_A     A   109_A      8   13   27      3    7    8   11   12   13   14   15   17   19   19   21   24   26   27   27   30   32   33   35 
LCS_GDT     K   110_A     K   110_A      8   13   27      3    5    8   11   12   13   14   15   17   20   22   22   24   26   27   27   30   32   33   35 
LCS_GDT     V   111_A     V   111_A      8   13   27      4    6    9   11   12   13   14   15   17   20   22   22   24   26   27   27   30   32   33   35 
LCS_GDT     W   112_A     W   112_A      8   13   27      4    6    9   11   12   13   14   15   17   20   22   22   24   26   27   27   30   32   33   35 
LCS_GDT     D   113_A     D   113_A      8   13   27      3    6    8    9   12   13   14   15   17   20   22   22   24   26   27   27   30   32   33   35 
LCS_GDT     E   114_A     E   114_A      8   13   27      4    6    8    9   12   13   14   15   17   20   22   22   24   26   27   27   30   32   33   35 
LCS_GDT     C   115_A     C   115_A      8   11   27      4    6    8    9   10   11   14   15   17   20   22   22   24   26   27   27   30   32   33   35 
LCS_GDT     F   116_A     F   116_A      8   11   27      4    6    8    9   10   11   14   15   17   20   20   22   24   26   27   27   30   32   33   35 
LCS_GDT     K   117_A     K   117_A      5   11   27      3    4    5    8    9   11   14   15   17   20   22   22   24   26   27   27   30   32   33   35 
LCS_GDT     K   118_A     K   118_A      5   11   27      3    3    5    8    9   11   11   15   17   20   22   22   24   26   27   27   28   31   33   35 
LCS_GDT     N   119_A     N   119_A      4    6   27      3    3    4    6    8    9   14   15   17   20   22   22   24   26   27   27   30   32   33   35 
LCS_GDT     R   120_A     R   120_A      4    6   27      3    3    4    5    8    8   11   14   17   19   22   22   24   26   27   27   30   32   33   35 
LCS_GDT     V   121_A     V   121_A      3    6   27      3    3    4    4    8    8   11   14   17   19   22   22   24   26   27   27   30   32   33   35 
LCS_GDT     L   122_A     L   122_A      4    5   27      3    4    5    5    6    8   10   14   17   18   22   22   24   26   27   27   27   30   31   34 
LCS_GDT     Q   123_A     Q   123_A      4    5   27      3    4    5    5    5    6    9   12   15   17   20   22   24   26   27   27   27   27   30   34 
LCS_GDT     H   124_A     H   124_A      4    5   27      3    4    5    5    6    8   10   13   15   17   21   22   24   26   27   27   27   27   30   34 
LCS_GDT     G   125_A     G   125_A      4    5   27      3    4    5    5    5    8    9   11   15   17   19   21   23   25   27   27   27   27   30   34 
LCS_GDT     S   126_A     S   126_A      3    5   25      0    3    3    5    5    5    5    5    8    9   11   14   16   19   20   23   26   27   30   34 
LCS_AVERAGE  LCS_A:  21.18  (  10.07   15.56   37.90 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     10     19     23     24     26     26     31     34     38     41     43     48     49     52     54     56     60     63     64     66 
GDT PERCENT_AT   9.52  18.10  21.90  22.86  24.76  24.76  29.52  32.38  36.19  39.05  40.95  45.71  46.67  49.52  51.43  53.33  57.14  60.00  60.95  62.86
GDT RMS_LOCAL    0.31   0.68   0.82   0.93   1.32   1.32   2.30   2.81   3.12   3.38   3.53   4.17   4.19   4.63   4.76   4.94   5.34   5.63   5.70   5.86
GDT RMS_ALL_AT  26.94  27.39  27.32  27.27  24.77  24.77  27.69  27.85  27.96  26.15  26.10  26.44  26.46  26.77  26.69  26.92  26.95  26.54  26.51  26.39

# Checking swapping
#   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:  F    66_A      F    66_A
#   possible swapping detected:  Y    69_A      Y    69_A
#   possible swapping detected:  D   107_A      D   107_A
#   possible swapping detected:  E   114_A      E   114_A
#   possible swapping detected:  F   116_A      F   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    22_A      N    22_A    28.858     0    0.530   1.225    29.973    0.000    0.000
LGA    K    23_A      K    23_A    28.623     0    0.071   1.141    35.616    0.000    0.000
LGA    V    24_A      V    24_A    24.891     0    0.052   1.069    26.445    0.000    0.000
LGA    H    25_A      H    25_A    23.874     0    0.108   0.116    27.165    0.000    0.000
LGA    I    26_A      I    26_A    22.120     0    0.099   1.370    24.139    0.000    0.000
LGA    I    27_A      I    27_A    18.880     0    0.108   0.957    19.667    0.000    0.000
LGA    K    28_A      K    28_A    17.310     0    0.050   0.871    22.640    0.000    0.000
LGA    C    29_A      C    29_A    13.528     0    0.029   0.092    15.334    0.000    0.000
LGA    H    30_A      H    30_A    15.232     0    0.229   0.443    20.554    0.000    0.000
LGA    F    31_A      F    31_A    10.636     0    0.046   0.185    12.555    0.000    7.835
LGA    D    32_A      D    32_A    10.792     0    0.205   0.721    11.395    0.000    0.298
LGA    K    33_A      K    33_A    14.577     0    0.098   0.695    21.212    0.000    0.000
LGA    C    34_A      C    34_A    12.123     0    0.161   0.654    13.722    0.000    0.000
LGA    N    35_A      N    35_A    14.800     0    0.334   1.142    17.982    0.000    0.000
LGA    K    36_A      K    36_A    14.295     0    0.069   1.240    16.263    0.000    0.000
LGA    S    37_A      S    37_A    16.718     0    0.069   0.634    20.015    0.000    0.000
LGA    Y    38_A      Y    38_A    16.299     0    0.044   0.348    18.314    0.000    0.040
LGA    N    39_A      N    39_A    18.994     0    0.584   0.761    21.035    0.000    0.000
LGA    W    40_A      W    40_A    16.718     0    0.037   1.074    17.173    0.000    0.000
LGA    R    41_A      R    41_A    18.095     0    0.572   1.473    29.266    0.000    0.000
LGA    K    42_A      K    42_A    16.253     0    0.068   0.863    20.821    0.000    0.000
LGA    K    43_A      K    43_A    12.052     0    0.683   0.841    13.926    0.000    0.053
LGA    Y    44_A      Y    44_A     8.495     0    0.176   0.892     9.826    3.452    4.008
LGA    G    45_A      G    45_A     7.181     0    0.570   0.570     8.425    9.524    9.524
LGA    K    46_A      K    46_A     4.193     0    0.729   0.755     8.841   44.167   30.847
LGA    L    47_A      L    47_A     4.765     0    0.125   0.179     8.755   41.429   26.607
LGA    R    48_A      R    48_A     7.312     0    0.674   1.115    13.129   13.690    6.147
LGA    L    49_A      L    49_A     8.494     0    0.084   1.445    14.921    8.214    4.107
LGA    V    50_A      V    50_A     5.761     0    0.026   1.181     6.584   28.810   26.327
LGA    D    51_A      D    51_A     2.595     0    0.036   0.298     3.675   55.595   61.310
LGA    H    52_A      H    52_A     4.661     0    0.034   1.079     8.375   37.262   23.238
LGA    A    53_A      A    53_A     4.897     0    0.053   0.073     6.295   37.381   33.333
LGA    F    54_A      F    54_A     2.931     0    0.086   0.925     7.009   55.357   35.411
LGA    T    55_A      T    55_A     3.241     0    0.195   1.046     6.728   57.262   44.422
LGA    H    56_A      H    56_A     2.807     0    0.738   0.666     6.939   60.952   37.667
LGA    V    57_A      V    57_A     4.222     0    0.045   1.197     8.762   54.524   37.075
LGA    P    58_A      P    58_A     3.202     0    0.104   0.224     5.782   45.357   36.531
LGA    H    59_A      H    59_A     2.884     0    0.665   1.056     8.472   50.357   31.762
LGA    L    60_A      L    60_A     4.355     0    0.035   1.402     9.504   50.595   29.643
LGA    K    61_A      K    61_A     3.400     0    0.595   1.158    11.774   57.262   28.042
LGA    M    62_A      M    62_A     2.504     0    0.052   0.960     6.069   60.952   54.107
LGA    K    63_A      K    63_A     2.542     0    0.052   1.227     5.149   59.048   45.397
LGA    C    64_A      C    64_A     1.845     0    0.613   0.798     4.567   56.548   60.794
LGA    N    65_A      N    65_A     2.024     0    0.092   1.022     3.472   66.786   67.024
LGA    F    66_A      F    66_A     2.126     0    0.237   1.366     5.751   59.167   55.758
LGA    C    67_A      C    67_A     2.772     0    0.038   0.175     2.946   59.048   59.683
LGA    D    68_A      D    68_A     3.760     0    0.228   0.975     5.039   53.810   44.107
LGA    Y    69_A      Y    69_A     1.725     0    0.601   1.553     9.031   63.214   47.857
LGA    M    70_A      M    70_A     2.081     0    0.058   0.670     4.776   68.810   61.667
LGA    C    71_A      C    71_A     2.107     0    0.068   0.820     2.474   64.762   66.111
LGA    K    72_A      K    72_A     2.347     0    0.605   0.945     9.046   64.881   40.265
LGA    G    73_A      G    73_A     2.290     0    0.154   0.154     2.822   64.881   64.881
LGA    I    74_A      I    74_A     1.952     0    0.024   0.677     2.462   70.833   68.810
LGA    R    75_A      R    75_A     2.218     0    0.029   1.181     5.371   64.762   51.818
LGA    N    76_A      N    76_A     2.195     0    0.061   1.253     3.313   68.810   63.988
LGA    I    77_A      I    77_A     1.743     0    0.064   0.637     3.260   72.857   68.036
LGA    R    78_A      R    78_A     2.235     0    0.029   0.732     5.516   64.762   43.074
LGA    L    79_A      L    79_A     2.457     0    0.040   1.240     6.287   64.762   50.238
LGA    H    80_A      H    80_A     1.619     0    0.031   0.134     1.896   72.857   78.905
LGA    H    81_A      H    81_A     1.641     0    0.087   1.174     6.612   68.810   50.905
LGA    K    82_A      K    82_A     3.478     0    0.055   1.234     4.485   50.119   46.508
LGA    K    83_A      K    83_A     2.059     0    0.120   0.657     5.519   66.786   60.899
LGA    S    84_A      S    84_A     2.110     0    0.321   0.649     2.595   62.976   64.921
LGA    H    85_A      H    85_A     3.787     0    0.081   0.710     6.875   30.952   53.857
LGA    P    86_A      P    86_A    10.041     0    0.132   0.126    12.323    1.786    2.041
LGA    D    87_A      D    87_A    10.409     0    0.539   0.979    10.850    0.357    0.179
LGA    E    88_A      E    88_A     8.920     0    0.477   1.031    12.895    1.429   17.619
LGA    Q    89_A      Q    89_A    13.505     0    0.155   0.863    16.757    0.000    0.053
LGA    L    90_A      L    90_A    14.432     0    0.081   0.668    18.630    0.000    0.000
LGA    T    91_A      T    91_A    13.446     0    0.107   0.318    14.455    0.000    0.000
LGA    G    92_A      G    92_A    16.146     0    0.082   0.082    16.412    0.000    0.000
LGA    F    93_A      F    93_A    18.359     0    0.383   1.482    19.699    0.000    0.000
LGA    G    94_A      G    94_A    21.347     0    0.578   0.578    24.523    0.000    0.000
LGA    I    95_A      I    95_A    26.819     0    0.052   0.593    31.078    0.000    0.000
LGA    K    96_A      K    96_A    27.483     0    0.204   0.730    29.658    0.000    0.000
LGA    S    97_A      S    97_A    29.719     0    0.709   0.664    29.927    0.000    0.000
LGA    V    98_A      V    98_A    30.608     0    0.577   0.570    33.975    0.000    0.000
LGA    V    99_A      V    99_A    35.714     0    0.618   0.901    37.293    0.000    0.000
LGA    R   100_A      R   100_A    38.091     0    0.203   1.352    44.270    0.000    0.000
LGA    T   101_A      T   101_A    34.632     0    0.712   1.404    35.937    0.000    0.000
LGA    S   102_A      S   102_A    30.550     0    0.581   0.770    33.255    0.000    0.000
LGA    K   103_A      K   103_A    34.669     0    0.068   0.848    39.396    0.000    0.000
LGA    K   104_A      K   104_A    37.473     4    0.299   0.281    37.633    0.000    0.000
LGA    G   105_A      G   105_A    35.150     0    0.056   0.056    36.445    0.000    0.000
LGA    K   106_A      K   106_A    38.406     0    0.048   1.902    41.320    0.000    0.000
LGA    D   107_A      D   107_A    40.769     0    0.080   1.145    45.240    0.000    0.000
LGA    L   108_A      L   108_A    37.892     0    0.072   0.179    39.175    0.000    0.000
LGA    A   109_A      A   109_A    39.216     0    0.671   0.634    42.412    0.000    0.000
LGA    K   110_A      K   110_A    45.132     0    0.086   0.927    49.586    0.000    0.000
LGA    V   111_A      V   111_A    44.508     0    0.065   0.178    45.252    0.000    0.000
LGA    W   112_A      W   112_A    42.234     0    0.068   1.571    45.399    0.000    0.000
LGA    D   113_A      D   113_A    48.365     0    0.084   1.336    51.365    0.000    0.000
LGA    E   114_A      E   114_A    52.108     0    0.069   1.076    54.414    0.000    0.000
LGA    C   115_A      C   115_A    48.233     0    0.020   0.769    49.904    0.000    0.000
LGA    F   116_A      F   116_A    47.861     0    0.602   1.327    49.547    0.000    0.000
LGA    K   117_A      K   117_A    53.332     0    0.676   1.023    60.551    0.000    0.000
LGA    K   118_A      K   118_A    58.960     0    0.590   1.153    61.516    0.000    0.000
LGA    N   119_A      N   119_A    59.450     0    0.294   0.527    60.132    0.000    0.000
LGA    R   120_A      R   120_A    63.408     6    0.655   0.618    66.267    0.000    0.000
LGA    V   121_A      V   121_A    59.777     0    0.703   1.011    61.094    0.000    0.000
LGA    L   122_A      L   122_A    59.499     0    0.696   0.622    60.213    0.000    0.000
LGA    Q   123_A      Q   123_A    63.541     0    0.108   0.984    69.396    0.000    0.000
LGA    H   124_A      H   124_A    62.332     0    0.074   1.128    66.978    0.000    0.000
LGA    G   125_A      G   125_A    66.868     0    0.667   0.667    67.216    0.000    0.000
LGA    S   126_A      S   126_A    67.814     0    0.189   0.820    68.769    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):    20.387         20.436                 20.404           21.104   18.131

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0     34    2.81    31.667    28.118     1.169

LGA_LOCAL      RMSD:   2.807  Number of atoms:   34  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  27.846  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:  20.387  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.871431 * X  +  -0.487131 * Y  +  -0.057555 * Z  + -30.242256
  Y_new =  -0.189936 * X  +  -0.226918 * Y  +  -0.955213 * Z  +  -7.207109
  Z_new =   0.452254 * X  +   0.843334 * Y  +  -0.290267 * Z  +  14.102166 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.214602 -0.469290  1.902285   [DEG:  -12.2958  -26.8884  108.9929 ]
ZXZ: -0.060181  1.865302  0.492240   [DEG:   -3.4481  106.8739   28.2033 ]
 
# END of job
