
#######################################################
#                                                     #
#                        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:    43      54_A - 96_A        4.94    20.87
  LCS_AVERAGE:     36.14

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      59_A - 90_A        1.98    23.40
  LONGEST_CONTINUOUS_SEGMENT:    32      60_A - 91_A        1.89    23.05
  LCS_AVERAGE:     18.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      61_A - 86_A        0.96    22.85
  LCS_AVERAGE:     11.82

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     N    22_A     N    22_A      4    7   40      3    3    4    5    7    7    8   10   10   13   19   22   25   28   31   32   35   41   45   46 
LCS_GDT     K    23_A     K    23_A      4    7   40      4    4    4    5    6    7    8   10   14   17   19   24   29   31   36   38   44   45   51   53 
LCS_GDT     V    24_A     V    24_A      4    7   40      4    4    4    5    9   15   24   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     H    25_A     H    25_A      4    7   40      4    4    4    5    7   15   24   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     I    26_A     I    26_A      9   16   40      4    7   13   15   19   22   25   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     I    27_A     I    27_A      9   16   40      3    7   13   15   19   22   25   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     K    28_A     K    28_A      9   16   40      5    7   13   15   19   22   25   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     C    29_A     C    29_A      9   16   40      3    7   13   15   19   22   25   29   30   32   33   34   36   37   39   42   44   46   51   60 
LCS_GDT     H    30_A     H    30_A      9   16   40      3    7   13   15   19   22   25   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     F    31_A     F    31_A      9   16   40      5    7   13   15   19   22   25   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     D    32_A     D    32_A      9   16   40      3    6   10   15   19   22   25   29   30   32   33   34   36   37   39   42   44   46   51   54 
LCS_GDT     K    33_A     K    33_A      9   16   40      3    7   12   15   19   22   25   29   30   32   33   34   36   39   44   49   57   61   63   67 
LCS_GDT     C    34_A     C    34_A      9   16   40      3    7   12   15   19   22   25   29   30   32   33   34   36   39   44   50   57   61   63   67 
LCS_GDT     N    35_A     N    35_A      6   16   40      3    7   13   15   19   22   25   29   30   32   33   34   36   39   41   45   53   60   63   67 
LCS_GDT     K    36_A     K    36_A      6   16   40      5    7   13   15   19   22   25   29   30   32   33   34   36   37   39   43   46   58   63   64 
LCS_GDT     S    37_A     S    37_A      6   16   40      5    7   13   15   19   22   25   29   30   32   33   34   36   37   39   42   44   46   51   57 
LCS_GDT     Y    38_A     Y    38_A      6   16   40      5    7   13   15   19   22   25   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     N    39_A     N    39_A      6   16   40      4    7   13   15   19   22   25   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     W    40_A     W    40_A      6   16   40      3    4   10   12   16   22   25   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     R    41_A     R    41_A      4   16   40      3    4    9   14   18   22   25   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     K    42_A     K    42_A      4   11   40      3    4    9   10   10   16   20   25   27   31   32   34   36   37   39   42   44   45   51   53 
LCS_GDT     K    43_A     K    43_A      4    6   40      3    4    4    4    6   10   22   24   30   31   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     Y    44_A     Y    44_A      4   15   40      3    4    4   12   15   22   25   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     G    45_A     G    45_A      3   15   40      3    3    3    5    7   14   21   24   25   26   32   34   36   37   39   42   44   46   51   53 
LCS_GDT     K    46_A     K    46_A     11   15   40      5   10   10   12   15   18   25   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     L    47_A     L    47_A     11   15   40      7   10   10   12   15   18   25   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     R    48_A     R    48_A     11   15   40      7   10   10   12   19   22   25   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     L    49_A     L    49_A     11   15   40      7   10   10   12   19   22   25   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     V    50_A     V    50_A     11   15   40      7   10   10   12   18   22   25   29   30   32   33   34   36   37   39   42   44   46   51   53 
LCS_GDT     D    51_A     D    51_A     11   15   40      7   10   10   15   19   22   25   29   30   32   33   34   36   37   39   42   44   46   51   55 
LCS_GDT     H    52_A     H    52_A     11   15   40      7   10   13   15   19   22   25   29   30   32   33   34   36   37   39   42   44   55   60   64 
LCS_GDT     A    53_A     A    53_A     11   15   42      7   10   10   14   19   22   25   29   30   32   33   34   36   38   41   43   52   59   63   67 
LCS_GDT     F    54_A     F    54_A     11   15   43      5   10   10   13   19   22   25   29   30   32   33   35   37   39   46   50   57   61   63   67 
LCS_GDT     T    55_A     T    55_A     11   15   43      5   10   13   15   19   22   25   29   30   32   33   34   36   39   46   50   57   61   63   67 
LCS_GDT     H    56_A     H    56_A     11   15   43      3    4   10   12   15   20   25   26   29   32   35   36   37   39   46   50   57   61   63   67 
LCS_GDT     V    57_A     V    57_A      5   15   43      3    4    6   12   17   25   29   31   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     P    58_A     P    58_A      4   15   43      3    4    4    6   12   18   23   27   30   32   35   37   38   39   46   50   57   61   63   64 
LCS_GDT     H    59_A     H    59_A      4   32   43      3    4    5    8    9   17   23   25   30   30   33   37   38   39   39   42   48   53   56   59 
LCS_GDT     L    60_A     L    60_A      3   32   43      3    3    5   15   24   28   29   31   33   34   36   37   38   39   39   42   48   53   58   61 
LCS_GDT     K    61_A     K    61_A     26   32   43      5   13   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     M    62_A     M    62_A     26   32   43     12   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     K    63_A     K    63_A     26   32   43      5   17   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     C    64_A     C    64_A     26   32   43      5    8   23   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     N    65_A     N    65_A     26   32   43      3   10   24   27   28   30   31   32   33   35   36   37   38   39   44   49   57   61   63   67 
LCS_GDT     F    66_A     F    66_A     26   32   43      3   19   24   27   28   30   31   32   33   35   36   37   38   39   44   50   57   61   63   67 
LCS_GDT     C    67_A     C    67_A     26   32   43      3   10   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     D    68_A     D    68_A     26   32   43      5   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     Y    69_A     Y    69_A     26   32   43     12   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     M    70_A     M    70_A     26   32   43     12   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     C    71_A     C    71_A     26   32   43     12   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     K    72_A     K    72_A     26   32   43     12   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     G    73_A     G    73_A     26   32   43     12   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     I    74_A     I    74_A     26   32   43     11   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     R    75_A     R    75_A     26   32   43      9   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     N    76_A     N    76_A     26   32   43     12   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     I    77_A     I    77_A     26   32   43     12   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     R    78_A     R    78_A     26   32   43     12   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     L    79_A     L    79_A     26   32   43      8   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     H    80_A     H    80_A     26   32   43      7   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     H    81_A     H    81_A     26   32   43      9   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     K    82_A     K    82_A     26   32   43     12   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     K    83_A     K    83_A     26   32   43     12   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     S    84_A     S    84_A     26   32   43     12   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     H    85_A     H    85_A     26   32   43      3   14   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     P    86_A     P    86_A     26   32   43      3   19   24   27   28   30   31   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     D    87_A     D    87_A     22   32   43      3    6   10   15   28   30   31   32   33   35   36   37   38   39   41   47   57   61   63   67 
LCS_GDT     E    88_A     E    88_A     21   32   43      5   19   23   27   28   30   31   32   33   35   36   37   38   39   41   49   57   61   63   67 
LCS_GDT     Q    89_A     Q    89_A      9   32   43      4    6   12   17   28   30   31   32   33   35   36   37   38   39   41   47   57   61   63   67 
LCS_GDT     L    90_A     L    90_A      9   32   43      4    9   17   22   28   30   31   32   33   35   36   37   38   39   41   47   57   61   63   67 
LCS_GDT     T    91_A     T    91_A      9   32   43      4    6    9   11   17   23   31   32   33   35   36   37   38   39   41   47   57   61   63   67 
LCS_GDT     G    92_A     G    92_A      3   12   43      3    3    5    6    8   11   16   23   30   35   36   37   38   39   41   49   57   61   63   67 
LCS_GDT     F    93_A     F    93_A      3    7   43      3    3    4    8   14   23   29   32   33   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     G    94_A     G    94_A      3    7   43      3    3    4    5    8   11   17   27   30   35   36   37   38   39   46   50   57   61   63   67 
LCS_GDT     I    95_A     I    95_A      3    5   43      3    4    4    6    7   13   15   18   23   27   33   35   38   39   46   50   57   61   63   67 
LCS_GDT     K    96_A     K    96_A      3    5   43      3    4    4    6    6   10   16   20   21   24   27   33   35   39   46   50   57   61   63   67 
LCS_GDT     S    97_A     S    97_A      3    5   42      3    9   11   14   16   17   18   20   21   24   27   33   35   39   46   50   57   61   63   67 
LCS_GDT     V    98_A     V    98_A      3    5   27      3    3    5    7    9   11   17   20   21   22   25   28   32   36   43   47   50   54   60   67 
LCS_GDT     V    99_A     V    99_A      4    5   28      4    4    4    6    7   13   16   19   20   22   24   27   32   36   39   47   50   54   61   67 
LCS_GDT     R   100_A     R   100_A      4    5   28      4    4    4    5    6    9   10   15   18   19   21   27   32   33   37   41   50   54   57   67 
LCS_GDT     T   101_A     T   101_A      4   17   28      4    4    4   10   10   14   16   19   21   24   27   32   35   39   46   50   57   61   63   67 
LCS_GDT     S   102_A     S   102_A      4   17   28      4    7    8   13   16   17   18   20   21   24   27   33   35   39   45   50   57   61   63   67 
LCS_GDT     K   103_A     K   103_A      4   17   28      4    4    5    9   16   17   18   20   21   24   27   33   35   39   46   50   57   61   63   67 
LCS_GDT     K   104_A     K   104_A     14   17   28      9   12   13   14   16   17   18   20   21   24   27   33   35   39   46   50   57   61   63   67 
LCS_GDT     G   105_A     G   105_A     14   17   28      9   12   13   14   16   17   18   20   21   24   27   33   35   39   46   50   57   61   63   67 
LCS_GDT     K   106_A     K   106_A     14   17   28      9   12   13   14   16   17   18   20   21   24   27   33   35   39   45   49   54   59   63   67 
LCS_GDT     D   107_A     D   107_A     14   17   28      9   12   13   14   16   17   18   20   21   24   27   33   35   39   46   50   57   61   63   67 
LCS_GDT     L   108_A     L   108_A     14   17   28      9   12   13   14   16   17   18   20   21   24   27   33   35   39   46   50   57   61   63   67 
LCS_GDT     A   109_A     A   109_A     14   17   28      9   12   13   14   16   17   18   20   21   24   27   33   35   39   46   50   57   61   63   67 
LCS_GDT     K   110_A     K   110_A     14   17   28      9   12   13   14   16   17   18   20   21   24   27   33   35   39   46   50   57   61   63   67 
LCS_GDT     V   111_A     V   111_A     14   17   28      9   12   13   14   16   17   18   20   21   24   27   33   35   39   46   50   57   61   63   67 
LCS_GDT     W   112_A     W   112_A     14   17   28      9   12   13   14   16   17   18   20   21   24   27   33   35   39   46   50   57   61   63   67 
LCS_GDT     D   113_A     D   113_A     14   17   28      3   12   13   14   16   17   18   20   21   24   27   33   35   39   46   50   57   61   63   67 
LCS_GDT     E   114_A     E   114_A     14   17   28      4   11   13   14   16   17   18   20   21   24   27   33   35   39   46   50   57   61   63   67 
LCS_GDT     C   115_A     C   115_A     14   17   28      4   12   13   14   16   17   18   20   21   24   27   33   35   39   46   50   57   61   63   67 
LCS_GDT     F   116_A     F   116_A     14   17   28      4   12   13   14   16   17   18   20   21   23   26   33   35   38   44   50   57   61   63   67 
LCS_GDT     K   117_A     K   117_A     14   17   28      3    4   10   14   16   17   18   20   21   23   26   33   35   38   46   50   57   61   63   67 
LCS_GDT     K   118_A     K   118_A      4   17   28      3    6    7   12   14   16   18   20   21   23   26   33   35   38   44   50   57   61   63   67 
LCS_GDT     N   119_A     N   119_A      4    5   28      3    4    4    6    6    9   11   14   19   20   22   25   30   33   38   44   48   58   63   67 
LCS_GDT     R   120_A     R   120_A      4    5   28      3    4    4    6    6    6    9    9   14   15   17   22   25   26   27   34   41   43   48   57 
LCS_GDT     V   121_A     V   121_A      4    5   28      3    4    4    4    5    7    9   14   15   18   21   22   25   26   27   27   32   32   36   37 
LCS_GDT     L   122_A     L   122_A      3    5   28      3    3    4    4    5    9   10   14   15   18   21   22   25   26   27   27   32   32   36   42 
LCS_GDT     Q   123_A     Q   123_A      3    5   28      3    3    4    4    5    7   10   14   15   18   21   22   25   26   27   27   32   34   37   40 
LCS_GDT     H   124_A     H   124_A      3    5   28      3    3    4    5    6    8   10   14   15   18   21   22   25   26   27   27   32   34   38   42 
LCS_GDT     G   125_A     G   125_A      3    5   28      3    3    4    4    5    7   10   14   15   18   21   22   25   26   27   27   32   34   37   42 
LCS_GDT     S   126_A     S   126_A      3    5   28      3    3    4    4    5    6    7   10   13   15   17   19   21   24   25   27   32   37   39   42 
LCS_AVERAGE  LCS_A:  21.98  (  11.82   18.00   36.14 )

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     12     19     24     27     28     30     31     32     33     35     36     37     38     39     46     50     57     61     63     67 
GDT PERCENT_AT  11.43  18.10  22.86  25.71  26.67  28.57  29.52  30.48  31.43  33.33  34.29  35.24  36.19  37.14  43.81  47.62  54.29  58.10  60.00  63.81
GDT RMS_LOCAL    0.31   0.62   0.85   1.00   1.09   1.42   1.73   2.01   2.13   2.86   2.95   3.16   3.34   3.65   5.70   5.93   6.44   7.82   6.81   7.19
GDT RMS_ALL_AT  23.15  22.90  22.83  22.91  22.88  22.92  22.83  22.63  22.88  21.82  22.11  22.50  22.43  22.48  20.45  19.90  19.95  18.71  18.87  18.41

# Checking swapping
#   possible swapping detected:  F    31_A      F    31_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    88_A      E    88_A
#   possible swapping detected:  F    93_A      F    93_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    53.730     0    0.248   1.336    54.687    0.000    0.000
LGA    K    23_A      K    23_A    49.919     0    0.145   0.684    51.196    0.000    0.000
LGA    V    24_A      V    24_A    45.505     0    0.210   1.127    47.484    0.000    0.000
LGA    H    25_A      H    25_A    39.502     0    0.320   0.485    42.018    0.000    0.000
LGA    I    26_A      I    26_A    34.751     0    0.377   1.007    36.778    0.000    0.000
LGA    I    27_A      I    27_A    30.891     0    0.074   1.065    34.210    0.000    0.000
LGA    K    28_A      K    28_A    25.327     0    0.077   0.135    27.376    0.000    0.000
LGA    C    29_A      C    29_A    20.675     0    0.106   0.694    22.465    0.000    0.000
LGA    H    30_A      H    30_A    17.561     0    0.425   0.975    18.594    0.000    0.000
LGA    F    31_A      F    31_A    13.802     0    0.591   1.318    15.099    0.000    0.000
LGA    D    32_A      D    32_A    11.459     0    0.504   0.698    12.325    0.119    0.060
LGA    K    33_A      K    33_A    14.783     0    0.319   0.867    20.423    0.000    0.000
LGA    C    34_A      C    34_A    16.634     0    0.086   0.107    17.943    0.000    0.000
LGA    N    35_A      N    35_A    18.021     0    0.100   0.483    19.854    0.000    0.000
LGA    K    36_A      K    36_A    21.280     0    0.075   0.977    24.559    0.000    0.000
LGA    S    37_A      S    37_A    26.414     0    0.116   0.538    28.755    0.000    0.000
LGA    Y    38_A      Y    38_A    31.787     0    0.053   1.228    34.302    0.000    0.000
LGA    N    39_A      N    39_A    38.342     0    0.099   1.017    41.023    0.000    0.000
LGA    W    40_A      W    40_A    42.364     0    0.155   0.697    46.335    0.000    0.000
LGA    R    41_A      R    41_A    46.655     0    0.683   0.601    50.416    0.000    0.000
LGA    K    42_A      K    42_A    48.962     0    0.138   0.754    53.941    0.000    0.000
LGA    K    43_A      K    43_A    45.920     0    0.639   1.025    47.049    0.000    0.000
LGA    Y    44_A      Y    44_A    40.483     0    0.629   1.232    42.215    0.000    0.000
LGA    G    45_A      G    45_A    36.670     0    0.613   0.613    38.639    0.000    0.000
LGA    K    46_A      K    46_A    30.965     0    0.297   0.890    35.451    0.000    0.000
LGA    L    47_A      L    47_A    28.233     0    0.091   1.437    29.864    0.000    0.000
LGA    R    48_A      R    48_A    28.098     0    0.063   1.414    35.766    0.000    0.000
LGA    L    49_A      L    49_A    24.737     0    0.045   1.072    26.539    0.000    0.000
LGA    V    50_A      V    50_A    20.916     0    0.019   1.203    24.254    0.000    0.000
LGA    D    51_A      D    51_A    20.938     0    0.079   1.209    23.477    0.000    0.000
LGA    H    52_A      H    52_A    20.876     0    0.031   1.135    23.039    0.000    0.000
LGA    A    53_A      A    53_A    16.057     0    0.102   0.102    18.009    0.000    0.000
LGA    F    54_A      F    54_A    12.950     0    0.056   0.176    14.763    0.000    0.000
LGA    T    55_A      T    55_A    16.284     0    0.225   1.205    20.794    0.000    0.000
LGA    H    56_A      H    56_A    13.858     0    0.244   1.339    16.856    0.000    0.000
LGA    V    57_A      V    57_A     7.856     0    0.218   1.078     9.776    7.024   17.279
LGA    P    58_A      P    58_A     9.493     0    0.573   0.904    12.666    3.452    1.973
LGA    H    59_A      H    59_A     8.195     0    0.247   1.172    14.540    6.190    2.952
LGA    L    60_A      L    60_A     4.821     0    0.207   1.391     6.603   39.405   33.155
LGA    K    61_A      K    61_A     2.077     0    0.281   1.837    10.055   69.048   38.995
LGA    M    62_A      M    62_A     0.858     0    0.112   0.854     3.336   90.476   85.417
LGA    K    63_A      K    63_A     1.775     0    0.134   0.824     6.860   69.048   46.561
LGA    C    64_A      C    64_A     2.142     0    0.680   0.596     5.361   53.452   61.349
LGA    N    65_A      N    65_A     2.240     0    0.268   0.287     4.277   70.833   58.036
LGA    F    66_A      F    66_A     1.713     0    0.115   1.457     5.771   68.810   58.052
LGA    C    67_A      C    67_A     2.129     0    0.132   0.772     2.651   66.786   64.841
LGA    D    68_A      D    68_A     2.050     0    0.167   0.563     4.002   63.095   62.560
LGA    Y    69_A      Y    69_A     1.042     0    0.051   0.092     2.933   85.952   77.460
LGA    M    70_A      M    70_A     0.922     0    0.020   0.852     6.021   88.214   70.595
LGA    C    71_A      C    71_A     0.436     0    0.068   0.125     0.823   97.619   95.238
LGA    K    72_A      K    72_A     0.320     0    0.669   0.924     2.834   89.286   75.132
LGA    G    73_A      G    73_A     1.208     0    0.078   0.078     1.623   81.548   81.548
LGA    I    74_A      I    74_A     0.733     0    0.042   0.087     0.932   90.476   90.476
LGA    R    75_A      R    75_A     1.229     0    0.077   1.172     4.980   81.429   67.489
LGA    N    76_A      N    76_A     1.349     0    0.022   0.142     1.763   81.429   80.357
LGA    I    77_A      I    77_A     0.712     0    0.102   0.710     2.965   88.214   84.048
LGA    R    78_A      R    78_A     0.986     0    0.057   1.431     7.736   90.476   55.411
LGA    L    79_A      L    79_A     0.790     0    0.057   0.114     0.971   90.476   91.667
LGA    H    80_A      H    80_A     1.116     0    0.057   1.134     4.023   85.952   77.571
LGA    H    81_A      H    81_A     0.959     0    0.064   1.367     4.351   90.476   69.048
LGA    K    82_A      K    82_A     1.086     0    0.037   1.015     3.791   83.690   72.804
LGA    K    83_A      K    83_A     1.000     0    0.030   0.202     2.328   90.476   81.693
LGA    S    84_A      S    84_A     0.705     0    0.195   0.188     1.704   88.214   84.524
LGA    H    85_A      H    85_A     1.787     0    0.420   1.132     8.774   81.548   44.571
LGA    P    86_A      P    86_A     1.174     0    0.041   0.094     3.237   71.667   73.401
LGA    D    87_A      D    87_A     2.747     0    0.116   1.128     5.950   59.167   46.607
LGA    E    88_A      E    88_A     0.967     0    0.136   0.325     2.608   73.333   77.937
LGA    Q    89_A      Q    89_A     3.130     0    0.127   1.268     8.571   50.476   32.963
LGA    L    90_A      L    90_A     2.419     0    0.451   1.488     4.948   54.167   52.500
LGA    T    91_A      T    91_A     4.941     0    0.657   0.822     6.995   33.095   27.619
LGA    G    92_A      G    92_A     7.411     0    0.548   0.548     7.829   11.905   11.905
LGA    F    93_A      F    93_A     5.618     0    0.206   1.315    10.301   10.833   11.429
LGA    G    94_A      G    94_A     9.835     0    0.669   0.669    11.980    1.905    1.905
LGA    I    95_A      I    95_A    13.267     0    0.632   1.395    14.874    0.000    0.000
LGA    K    96_A      K    96_A    16.036     0    0.576   1.147    24.482    0.000    0.000
LGA    S    97_A      S    97_A    16.647     0    0.721   0.650    17.717    0.000    0.000
LGA    V    98_A      V    98_A    20.856     0    0.398   0.400    23.440    0.000    0.000
LGA    V    99_A      V    99_A    22.918     0    0.632   1.416    24.245    0.000    0.000
LGA    R   100_A      R   100_A    25.255     0    0.162   1.262    28.819    0.000    0.000
LGA    T   101_A      T   101_A    20.856     0    0.604   0.930    22.367    0.000    0.000
LGA    S   102_A      S   102_A    20.337     0    0.660   0.801    23.838    0.000    0.000
LGA    K   103_A      K   103_A    19.943     0    0.060   0.779    20.222    0.000    0.000
LGA    K   104_A      K   104_A    21.349     4    0.363   0.364    22.269    0.000    0.000
LGA    G   105_A      G   105_A    20.111     0    0.061   0.061    20.684    0.000    0.000
LGA    K   106_A      K   106_A    22.419     0    0.034   1.301    23.804    0.000    0.000
LGA    D   107_A      D   107_A    22.364     0    0.053   0.153    24.604    0.000    0.000
LGA    L   108_A      L   108_A    18.967     0    0.068   0.218    20.246    0.000    0.000
LGA    A   109_A      A   109_A    19.267     0    0.095   0.089    19.926    0.000    0.000
LGA    K   110_A      K   110_A    21.548     0    0.056   0.729    27.479    0.000    0.000
LGA    V   111_A      V   111_A    20.403     0    0.076   0.960    22.281    0.000    0.000
LGA    W   112_A      W   112_A    18.313     0    0.115   1.274    21.771    0.000    0.000
LGA    D   113_A      D   113_A    20.228     0    0.087   1.025    20.939    0.000    0.000
LGA    E   114_A      E   114_A    20.766     0    0.087   0.532    23.144    0.000    0.000
LGA    C   115_A      C   115_A    19.794     0    0.056   0.821    19.979    0.000    0.000
LGA    F   116_A      F   116_A    18.212     0    0.238   0.297    18.920    0.000    0.000
LGA    K   117_A      K   117_A    16.975     0    0.071   0.914    20.507    0.000    0.000
LGA    K   118_A      K   118_A    21.257     0    0.744   0.617    26.568    0.000    0.000
LGA    N   119_A      N   119_A    23.954     0    0.092   0.233    25.507    0.000    0.000
LGA    R   120_A      R   120_A    28.897     6    0.190   0.199    30.842    0.000    0.000
LGA    V   121_A      V   121_A    31.957     0    0.729   1.048    36.536    0.000    0.000
LGA    L   122_A      L   122_A    28.812     0    0.244   1.039    30.081    0.000    0.000
LGA    Q   123_A      Q   123_A    32.974     0    0.162   1.025    34.962    0.000    0.000
LGA    H   124_A      H   124_A    36.059     0    0.212   1.120    40.246    0.000    0.000
LGA    G   125_A      G   125_A    43.286     0    0.313   0.313    46.744    0.000    0.000
LGA    S   126_A      S   126_A    44.112     0    0.332   0.811    44.839    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):    13.531         13.433                 14.197           23.426   20.639

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  105    4.0     32    2.01    30.476    27.172     1.520

LGA_LOCAL      RMSD:   2.005  Number of atoms:   32  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  22.634  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:  13.531  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.831426 * X  +  -0.167006 * Y  +  -0.529943 * Z  + -10.504037
  Y_new =   0.484820 * X  +   0.683984 * Y  +   0.545083 * Z  + -60.066257
  Z_new =   0.271440 * X  +  -0.710123 * Y  +   0.649650 * Z  + -17.164732 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.527914 -0.274889 -0.829841   [DEG:   30.2472  -15.7500  -47.5464 ]
ZXZ: -2.370277  0.863672  2.776486   [DEG: -135.8069   49.4848  159.0809 ]
 
# END of job
