
#######################################################
#                                                     #
#                        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  120 (  931),  selected  120 , name one
# Molecule2: number of CA atoms  124 (  971),  selected  120 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:F  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    46      22_A - 67_A        4.98    15.75
  LONGEST_CONTINUOUS_SEGMENT:    46      23_A - 68_A        5.00    15.80
  LCS_AVERAGE:     25.24

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      31_A - 60_A        1.69    16.90
  LCS_AVERAGE:     12.46

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      32_A - 56_A        0.91    17.06
  LCS_AVERAGE:      8.53

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  120
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     M     1_F     M     1_A      4    6   16      3    4    4    5    8   11   11   11   12   12   31   33   36   48   50   54   58   62   64   68 
LCS_GDT     F     2_F     F     2_A      4    6   16      3    4    4    5    8   11   12   17   17   19   22   32   38   44   48   52   58   62   64   68 
LCS_GDT     T     3_F     T     3_A      4    9   16      3    4    4    6    8   15   18   21   23   27   33   35   38   45   48   52   58   62   64   68 
LCS_GDT     G     4_F     G     4_A      4    9   16      3    4    5    6    8   11   11   11   16   16   21   24   35   39   40   46   49   53   58   66 
LCS_GDT     W     5_F     W     5_A      5    9   21      3    5    5    7    8   11   11   11   16   16   20   21   35   36   40   46   49   52   58   61 
LCS_GDT     S     6_F     S     6_A      6    9   21      3    5    6    7    8   11   11   11   16   16   20   21   35   36   40   46   49   52   55   61 
LCS_GDT     P     7_F     P     7_A      6    9   21      3    5    6    7    8   11   11   11   16   16   20   21   24   30   40   46   49   52   55   59 
LCS_GDT     F     8_F     F     8_A      6    9   21      3    5    6    7    8   11   11   11   16   16   20   23   35   36   42   47   49   53   58   66 
LCS_GDT     K     9_F     K     9_A      6    9   22      3    5    6    7    8   11   11   11   16   16   22   26   35   39   42   47   53   58   60   66 
LCS_GDT     Y    10_F     Y    10_A      6    9   25      3    4    6    7    8   15   18   23   26   29   33   35   41   45   50   54   59   63   64   68 
LCS_GDT     S    11_F     S    11_A      6    9   25      3    4    6    7    8   11   18   21   23   29   32   35   38   45   50   54   58   62   64   68 
LCS_GDT     K    12_F     K    12_A      5    9   25      4    7   11   14   17   21   25   31   34   36   41   46   51   54   55   58   59   63   64   68 
LCS_GDT     G    13_F     G    13_A      5   10   25      4    5   10   13   19   26   30   36   38   41   44   48   51   54   55   58   61   63   64   68 
LCS_GDT     N    14_F     N    14_A      5   10   25      4    5    5   13   22   27   31   36   38   41   44   48   51   54   55   58   61   63   64   68 
LCS_GDT     T    15_F     T    15_A      7   10   25      4    5    7    8   11   23   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     V    16_F     V    16_A      7   10   25      4    5    7    8   10   23   30   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     T    17_F     T    17_A      7   10   25      4    7    8   15   22   27   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     F    18_F     F    18_A      7   10   25      3    5    8   15   22   27   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     K    19_F     K    19_A      7   10   25      3    6   14   18   22   27   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     T    20_F     T    20_A      7   10   25      4    5   14   18   22   27   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     P    21_F     P    21_A      7   10   25      4    5    7   14   21   27   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     D    22_F     D    22_A      7   10   46      3    5    7    8    8   11   14   18   29   38   43   48   51   54   56   58   61   63   64   68 
LCS_GDT     E    23_F     E    23_A      4    9   46      3    3    4    6    8   10   13   17   17   29   41   46   48   53   56   58   61   63   64   68 
LCS_GDT     S    24_F     S    24_A      4    9   46      3    3    4   11   11   20   22   26   31   38   42   46   49   53   56   58   61   63   64   68 
LCS_GDT     S    25_F     S    25_A      6    9   46      3    4    4    6    9   11   13   18   29   31   38   45   49   53   54   57   60   63   64   68 
LCS_GDT     I    26_F     I    26_A      6    9   46      5    5    9   11   13   18   22   26   31   38   43   47   51   54   56   58   61   63   64   68 
LCS_GDT     A    27_F     A    27_A      6    9   46      5    5    5    7   11   15   21   26   30   38   42   46   51   54   56   58   61   63   64   68 
LCS_GDT     Y    28_F     Y    28_A      6    9   46      5    5    5    8   12   14   20   24   31   38   42   46   51   54   56   58   61   63   64   68 
LCS_GDT     M    29_F     M    29_A      6    9   46      5    5    5    8   12   15   22   30   32   39   43   48   51   54   56   58   61   63   64   68 
LCS_GDT     R    30_F     R    30_A      6   28   46      5    5    5    8   12   15   22   30   32   39   43   48   51   54   56   58   61   63   64   68 
LCS_GDT     F    31_F     F    31_A      5   30   46      2   10   15   22   27   30   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     R    32_F     R    32_A     25   30   46      8   17   25   25   27   30   31   31   37   40   43   48   50   54   56   58   61   63   64   68 
LCS_GDT     N    33_F     N    33_A     25   30   46      8   21   25   25   27   30   31   36   38   41   43   48   51   54   56   58   61   63   64   68 
LCS_GDT     C    34_F     C    34_A     25   30   46     13   21   25   25   27   30   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     V    35_F     V    35_A     25   30   46     13   21   25   25   27   30   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     F    36_F     F    36_A     25   30   46      8   21   25   25   27   30   31   31   34   40   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     T    37_F     T    37_A     25   30   46      8   21   25   25   27   30   31   31   32   36   42   46   50   52   56   58   61   63   64   68 
LCS_GDT     F    38_F     F    38_A     25   30   46     13   21   25   25   27   30   31   31   32   36   38   40   44   49   55   58   61   62   64   68 
LCS_GDT     T    39_F     T    39_A     25   30   46     13   21   25   25   27   30   31   31   32   36   38   39   40   44   51   55   60   61   64   66 
LCS_GDT     D    40_F     D    40_A     25   30   46     13   21   25   25   27   30   31   31   32   36   38   39   40   44   46   52   57   61   64   66 
LCS_GDT     P    41_F     P    41_A     25   30   46     13   21   25   25   27   30   31   31   32   36   38   39   40   44   45   47   51   58   61   66 
LCS_GDT     K    42_F     K    42_A     25   30   46     13   21   25   25   27   30   31   31   32   36   38   39   40   44   45   48   53   58   61   66 
LCS_GDT     G    43_F     G    43_A     25   30   46     13   21   25   25   27   30   31   31   32   36   38   39   40   44   46   54   57   61   64   66 
LCS_GDT     S    44_F     S    44_A     25   30   46     13   21   25   25   27   30   31   31   32   36   38   39   40   44   51   55   60   61   64   66 
LCS_GDT     L    45_F     L    45_A     25   30   46     13   21   25   25   27   30   31   31   32   36   38   39   45   50   56   58   61   62   64   68 
LCS_GDT     H    46_F     H    46_A     25   30   46     13   21   25   25   27   30   31   31   32   36   38   45   50   52   56   58   61   62   64   68 
LCS_GDT     S    47_F     S    47_A     25   30   46     13   21   25   25   27   30   31   31   37   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     I    48_F     I    48_A     25   30   46     13   21   25   25   27   30   31   34   37   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     D    49_F     D    49_A     25   30   46     13   21   25   25   27   30   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     V    50_F     V    50_A     25   30   46     13   21   25   25   27   30   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     T    51_F     T    51_A     25   30   46      9   21   25   25   27   30   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     E    52_F     E    52_A     25   30   46      9   21   25   25   27   30   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     V    53_F     V    53_A     25   30   46      8   21   25   25   27   30   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     L    54_F     L    54_A     25   30   46      8   15   25   25   27   30   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     N    55_F     N    55_A     25   30   46      8   15   25   25   27   30   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     N    56_F     N    56_A     25   30   46      8   15   25   25   27   30   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     M    57_F     M    57_A     14   30   46      5   13   18   25   27   30   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     A    58_F     A    58_A     12   30   46      5   13   17   22   27   30   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     K    59_F     K    59_A     12   30   46      6   13   17   22   27   30   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     G    60_F     G    60_A     12   30   46      6   13   17   22   27   30   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     F    61_F     F    61_A     11   22   46      4    8   15   19   22   27   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     R    62_F     R    62_A     11   22   46      4    8   14   19   22   27   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     D    63_F     D    63_A     11   22   46      3    7   14   19   22   27   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     A    64_F     A    64_A     11   22   46      5    9   14   19   22   27   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     Q    65_F     Q    65_A     11   22   46      6    9   14   19   22   27   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     N    66_F     N    66_A     11   22   46      6    9   14   18   22   27   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     P    67_F     P    67_A     11   22   46      5    9   13   18   22   27   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     P    68_F     P    68_A     11   22   46      5    9   11   15   22   27   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     S    69_F     S    69_A     11   22   44      6    9   11   15   22   26   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     S    70_F     S    70_A     11   22   42      6    9   11   14   18   24   30   34   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     F    71_F     F    71_A     11   21   42      6    9   11   14   17   21   30   34   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     T    72_F     T    72_A     11   17   34      6    9   11   14   16   21   25   32   38   41   44   47   51   54   56   58   61   63   64   68 
LCS_GDT     L    73_F     L    73_A     11   16   34      3    3   10   14   22   27   31   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     G    74_F     G    74_A      4    5   34      3   10   15   19   22   23   26   30   37   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     G    75_F     G    75_A      4    5   34      3    3    4    5    7    8    9   11   14   16   32   35   38   48   53   57   61   62   64   68 
LCS_GDT     H    76_F     H    76_A      4    5   33      0    3    4    5    5    8    9   10   12   14   19   24   26   32   34   37   43   55   59   62 
LCS_GDT     C    77_F     C    77_A      3    5   32      1    3    4    5    7    8    9   11   14   16   19   24   26   33   39   48   50   55   60   63 
LCS_GDT     Q    78_F     Q    78_A      3    5   30      2    3    4    5    5    7   10   12   15   19   22   24   26   32   37   48   50   58   60   63 
LCS_GDT     A    79_F     A    79_A      3    5   19      0    3    4    5    5    7   10   11   15   17   21   24   26   32   34   48   50   58   60   63 
LCS_GDT     P    80_F     P    80_A      3    5   18      3    3    4    5    5    6   10   13   15   18   21   24   26   32   34   37   40   46   60   63 
LCS_GDT     L    81_F     L    81_A      3    5   18      3    3    4    4    5    6    7   10   14   18   21   43   46   50   53   56   58   60   64   68 
LCS_GDT     N    82_F     N    82_A      3    5   18      3    3    4    9   10   14   27   30   34   38   42   46   50   54   54   57   59   63   64   68 
LCS_GDT     A    83_F     A    83_A      3    5   18      0    3    3    8   15   22   29   36   38   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     F    84_F     F    84_A      3    5   18      1    3    3    5    7   10   19   26   30   39   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     S    85_F     S    85_A      7    9   18      3    5    8   15   18   22   25   30   37   41   44   48   51   54   56   58   61   63   64   68 
LCS_GDT     F    86_F     F    86_A      7    9   18      3    4    8    8   26   28   31   31   32   36   38   39   47   53   56   58   61   63   64   68 
LCS_GDT     V    87_F     V    87_A      7    9   18      3    5    8    8   10   11   13   22   24   29   32   33   35   39   40   41   43   47   52   55 
LCS_GDT     L    88_F     L    88_A      7    9   20      3    5    8    8   10   11   13   14   17   19   22   24   26   32   34   37   39   41   43   47 
LCS_GDT     P    89_F     P    89_A      7    9   20      3    5    8    8   10   11   13   15   17   19   22   24   26   32   34   37   39   41   43   47 
LCS_GDT     G    90_F     G    90_A      7    9   20      3    5    8    8   10   11   13   15   17   19   22   24   26   32   34   37   39   41   43   47 
LCS_GDT     V    91_F     V    91_A      7    9   20      3    5    8    8   10   11   13   15   17   19   22   24   26   32   34   37   39   41   43   47 
LCS_GDT     N    92_F     N    92_A      4    9   20      3    4    4    5    7    9   13   15   17   19   22   23   26   31   34   37   39   41   43   47 
LCS_GDT     D    93_F     D    93_A      4    9   20      3    3    4    5    8    9   11   15   17   19   22   24   26   32   34   37   39   41   44   47 
LCS_GDT     R    94_F     R    94_A      4    5   20      2    3    4    5    6    9   10   13   15   18   22   24   29   33   35   42   45   48   52   55 
LCS_GDT     A    95_F     A    95_A      3    5   20      1    4    4    5    5    6    7   10   13   16   17   21   23   26   31   36   39   44   52   55 
LCS_GDT     T    96_F     T    96_A      8   13   20      0    4    6    9   10   12   12   13   15   16   18   19   23   24   31   34   38   47   52   55 
LCS_GDT     V    97_F     V    97_A     11   13   20      3    9   11   11   12   12   13   14   15   16   18   31   36   42   51   57   60   62   64   68 
LCS_GDT     A    98_F     A    98_A     11   13   20      3   10   11   11   12   12   13   14   15   16   25   34   41   45   48   57   61   62   64   68 
LCS_GDT     T    99_F     T    99_A     11   13   20      6   10   11   11   12   12   13   14   15   16   23   35   43   45   50   55   58   62   64   68 
LCS_GDT     A   100_F     A   100_A     11   13   20      6   10   11   11   12   12   13   14   15   22   26   29   33   37   49   52   58   61   64   67 
LCS_GDT     D   101_F     D   101_A     11   13   20      6   10   11   11   12   12   13   14   15   16   22   32   39   48   52   58   59   63   64   68 
LCS_GDT     E   102_F     E   102_A     11   13   20      6   10   11   11   12   12   13   14   15   16   18   27   40   48   54   58   59   63   64   68 
LCS_GDT     A   103_F     A   103_A     11   13   20      6   10   11   11   12   12   13   14   15   17   20   32   38   48   54   58   59   63   64   68 
LCS_GDT     K   104_F     K   104_A     11   13   20      6   10   11   11   12   12   13   14   15   18   20   21   26   30   48   52   58   62   64   68 
LCS_GDT     K   105_F     K   105_A     11   13   20      5   10   11   11   12   12   13   14   15   18   21   24   26   35   45   48   54   59   64   67 
LCS_GDT     W   106_F     W   106_A     11   13   20      4   10   11   11   12   12   13   14   15   19   22   24   26   32   34   47   53   58   63   66 
LCS_GDT     E   107_F     E   107_A     11   13   20      4   10   11   11   12   12   13   14   16   19   22   23   26   30   34   41   46   52   55   60 
LCS_GDT     N   108_F     N   108_A      4   13   20      4    4    5    8   12   12   13   14   16   18   19   21   23   27   30   34   36   41   43   47 
LCS_GDT     C   109_F     C   109_A      4   13   19      4    4    5    8   10   12   13   13   15   19   22   24   26   32   34   37   39   41   43   47 
LCS_GDT     D   110_F     D   110_A      3    5   19      0    3    3    5    9   11   13   14   16   19   22   24   26   32   34   41   46   49   52   55 
LCS_GDT     A   111_F     A   111_A      3    3   19      0    3    3    3    9   10   13   17   17   19   22   24   26   31   34   41   46   49   49   55 
LCS_GDT     T   112_F     T   112_A      3    4   19      0    3    3    4    4   10   13   17   17   19   22   24   26   32   34   37   46   49   49   52 
LCS_GDT     L   113_F     L   113_A      3    5   19      3    4    5    7    9   11   13   17   17   19   24   33   36   38   42   46   55   58   61   66 
LCS_GDT     T   114_F     T   114_A      3    6   14      3    3    3    5    6    8   10   15   17   19   20   24   26   31   34   41   46   49   52   55 
LCS_GDT     G   115_F     G   115_A      4    6   13      3    4    5    5    6    8    9   15   17   19   20   24   26   29   35   37   46   49   52   55 
LCS_GDT     L   116_F     L   116_A      4    6   12      3    4    5    5    6    7    8   15   17   19   20   21   23   27   35   41   46   53   54   55 
LCS_GDT     Q   117_F     Q   117_A      4    6   12      3    4    5    5    6    7    9   15   17   19   20   21   23   27   30   33   38   40   42   43 
LCS_GDT     R   118_F     R   118_A      4    6   12      3    3    4    5    6    7    8   11   15   19   20   21   22   25   29   30   31   34   36   39 
LCS_GDT     I   119_F     I   119_A      3    6   12      0    3    5    5    6    7    8   11   15   19   20   21   22   27   29   30   31   34   36   39 
LCS_GDT     I   120_F     I   120_A      3    6   12      0    4    5    5    6    7    7   11   12   12   14   17   22   22   26   29   31   34   36   36 
LCS_AVERAGE  LCS_A:  15.41  (   8.53   12.46   25.24 )

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     13     21     25     25     27     30     31     36     38     41     44     48     51     54     56     58     61     63     64     68 
GDT PERCENT_AT  10.48  16.94  20.16  20.16  21.77  24.19  25.00  29.03  30.65  33.06  35.48  38.71  41.13  43.55  45.16  46.77  49.19  50.81  51.61  54.84
GDT RMS_LOCAL    0.26   0.61   0.91   0.91   1.22   1.69   1.74   2.62   2.73   3.04   3.38   3.68   4.09   4.21   4.77   4.87   5.17   5.32   5.41   5.94
GDT RMS_ALL_AT  17.25  17.17  17.06  17.06  16.89  16.90  16.87  13.13  13.14  13.11  13.13  13.16  13.02  13.04  13.34  13.28  13.37  12.85  13.24  12.88

# Checking swapping
#   possible swapping detected:  F     8_F      F     8_A
#   possible swapping detected:  Y    10_F      Y    10_A
#   possible swapping detected:  F    38_F      F    38_A
#   possible swapping detected:  F    71_F      F    71_A
#   possible swapping detected:  F    84_F      F    84_A
#   possible swapping detected:  E   102_F      E   102_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A     9.606     0    0.126   0.718    11.394    0.119    2.440
LGA    F     2_F      F     2_A    11.330     0    0.268   0.243    15.210    0.000    0.000
LGA    T     3_F      T     3_A    12.894     0    0.133   1.112    15.944    0.000    0.000
LGA    G     4_F      G     4_A    16.586     0    0.080   0.080    16.586    0.000    0.000
LGA    W     5_F      W     5_A    16.513     0    0.083   1.126    22.983    0.000    0.000
LGA    S     6_F      S     6_A    16.895     0    0.040   0.800    16.895    0.000    0.000
LGA    P     7_F      P     7_A    17.973     0    0.411   0.509    21.028    0.000    0.000
LGA    F     8_F      F     8_A    15.544     0    0.141   1.173    18.342    0.000    0.000
LGA    K     9_F      K     9_A    15.459     0    0.142   0.523    22.826    0.000    0.000
LGA    Y    10_F      Y    10_A    11.226     0    0.056   1.260    16.001    0.000    0.238
LGA    S    11_F      S    11_A    12.824     0    0.648   0.908    15.431    0.000    0.000
LGA    K    12_F      K    12_A     7.479     0    0.616   0.935     9.274   11.429   18.677
LGA    G    13_F      G    13_A     4.181     0    0.042   0.042     5.202   42.619   42.619
LGA    N    14_F      N    14_A     3.046     0    0.026   0.316     6.369   51.786   42.024
LGA    T    15_F      T    15_A     3.416     0    0.215   1.130     5.917   48.452   39.796
LGA    V    16_F      V    16_A     3.922     0    0.087   0.109     5.603   45.000   37.755
LGA    T    17_F      T    17_A     1.992     0    0.060   0.097     2.612   68.929   74.286
LGA    F    18_F      F    18_A     2.265     0    0.611   1.325     4.590   61.429   55.281
LGA    K    19_F      K    19_A     2.366     0    0.295   1.039     3.930   57.500   56.772
LGA    T    20_F      T    20_A     2.784     0    0.076   1.046     4.845   59.048   53.673
LGA    P    21_F      P    21_A     2.827     0    0.081   0.082     4.730   45.714   51.701
LGA    D    22_F      D    22_A     6.115     0    0.567   1.223     9.154   14.286   25.238
LGA    E    23_F      E    23_A     9.309     0    0.307   0.688    17.245    2.262    1.005
LGA    S    24_F      S    24_A     8.903     0    0.622   0.560    10.749    2.262    5.556
LGA    S    25_F      S    25_A     9.575     0    0.592   0.876    10.797    3.690    2.460
LGA    I    26_F      I    26_A     6.884     0    0.162   1.251     7.691   10.119   14.821
LGA    A    27_F      A    27_A     8.395     0    0.106   0.116     9.163    5.357    4.571
LGA    Y    28_F      Y    28_A     8.029     0    0.151   0.314    11.481    7.976    3.333
LGA    M    29_F      M    29_A     6.262     0    0.074   0.881     6.807   16.190   26.250
LGA    R    30_F      R    30_A     6.018     0    0.365   1.140    10.569   19.405   10.303
LGA    F    31_F      F    31_A     3.353     0    0.630   0.800     5.050   48.333   38.139
LGA    R    32_F      R    32_A     4.899     0    0.112   0.499    11.017   28.929   14.459
LGA    N    33_F      N    33_A     3.744     0    0.106   0.141     6.799   45.000   34.048
LGA    C    34_F      C    34_A     3.421     0    0.024   0.855     3.719   55.476   56.349
LGA    V    35_F      V    35_A     3.814     0    0.015   0.045     5.883   33.571   42.041
LGA    F    36_F      F    36_A     7.215     0    0.047   1.013    13.699   11.429    4.848
LGA    T    37_F      T    37_A     9.609     0    0.035   0.101    11.539    0.833    1.701
LGA    F    38_F      F    38_A    13.059     0    0.047   1.312    17.086    0.000    0.000
LGA    T    39_F      T    39_A    16.729     0    0.120   1.050    17.979    0.000    0.000
LGA    D    40_F      D    40_A    18.894     0    0.026   0.062    20.556    0.000    0.000
LGA    P    41_F      P    41_A    22.571     0    0.031   0.149    24.088    0.000    0.000
LGA    K    42_F      K    42_A    23.147     0    0.031   0.321    25.324    0.000    0.000
LGA    G    43_F      G    43_A    20.585     0    0.038   0.038    21.353    0.000    0.000
LGA    S    44_F      S    44_A    18.019     0    0.021   0.725    19.152    0.000    0.000
LGA    L    45_F      L    45_A    14.409     0    0.050   0.580    15.758    0.000    0.000
LGA    H    46_F      H    46_A    11.879     0    0.022   0.061    16.262    0.000    0.000
LGA    S    47_F      S    47_A     8.116     0    0.090   0.651     9.480    5.119    5.317
LGA    I    48_F      I    48_A     6.197     0    0.066   1.071     8.301   24.762   18.095
LGA    D    49_F      D    49_A     2.644     0    0.049   0.146     3.980   51.905   59.524
LGA    V    50_F      V    50_A     2.246     0    0.060   0.130     4.534   73.095   59.592
LGA    T    51_F      T    51_A     1.373     0    0.052   0.124     3.483   81.548   72.245
LGA    E    52_F      E    52_A     1.776     0    0.030   0.268     5.068   81.548   56.720
LGA    V    53_F      V    53_A     1.260     0    0.054   0.055     3.012   81.548   71.156
LGA    L    54_F      L    54_A     2.312     0    0.025   0.089     4.094   67.024   56.964
LGA    N    55_F      N    55_A     2.545     0    0.021   0.197     4.069   62.857   54.048
LGA    N    56_F      N    56_A     1.112     0    0.023   0.095     1.672   81.429   80.417
LGA    M    57_F      M    57_A     1.418     0    0.044   1.070     5.349   77.143   67.619
LGA    A    58_F      A    58_A     2.342     0    0.020   0.026     2.880   66.786   64.857
LGA    K    59_F      K    59_A     1.616     0    0.122   1.354     8.973   77.143   51.799
LGA    G    60_F      G    60_A     1.102     0    0.250   0.250     2.457   75.119   75.119
LGA    F    61_F      F    61_A     2.092     0    0.233   1.311     7.516   70.952   43.290
LGA    R    62_F      R    62_A     1.851     0    0.129   1.092     5.393   72.976   49.827
LGA    D    63_F      D    63_A     1.940     0    0.146   0.243     2.442   72.857   69.821
LGA    A    64_F      A    64_A     1.788     0    0.032   0.043     1.934   72.857   72.857
LGA    Q    65_F      Q    65_A     1.932     0    0.107   0.991     6.938   79.405   53.386
LGA    N    66_F      N    66_A     0.792     0    0.026   0.980     3.893   88.214   81.190
LGA    P    67_F      P    67_A     1.509     0    0.097   0.354     2.215   75.000   74.150
LGA    P    68_F      P    68_A     3.207     0    0.681   0.825     6.317   42.262   47.687
LGA    S    69_F      S    69_A     3.443     0    0.133   0.135     4.161   46.905   45.714
LGA    S    70_F      S    70_A     4.372     0    0.082   0.485     4.517   35.714   37.222
LGA    F    71_F      F    71_A     4.434     0    0.031   0.972     6.975   32.976   29.351
LGA    T    72_F      T    72_A     5.277     0    0.379   0.986     7.166   31.548   24.966
LGA    L    73_F      L    73_A     3.101     0    0.632   0.730     6.174   59.881   44.048
LGA    G    74_F      G    74_A     5.940     0    0.577   0.577     7.910   16.786   16.786
LGA    G    75_F      G    75_A    11.550     0    0.690   0.690    13.467    0.119    0.119
LGA    H    76_F      H    76_A    15.506     0    0.600   1.294    18.675    0.000    0.000
LGA    C    77_F      C    77_A    15.463     0    0.687   0.798    16.091    0.000    0.000
LGA    Q    78_F      Q    78_A    14.603     0    0.302   0.952    17.083    0.000    0.000
LGA    A    79_F      A    79_A    14.759     0    0.658   0.639    15.440    0.000    0.000
LGA    P    80_F      P    80_A    12.896     0    0.690   0.686    13.022    0.000    0.000
LGA    L    81_F      L    81_A     8.079     0    0.202   1.421     9.641    5.000    6.429
LGA    N    82_F      N    82_A     6.196     0    0.619   0.994    10.176   28.690   15.298
LGA    A    83_F      A    83_A     3.773     0    0.618   0.552     6.001   35.476   33.619
LGA    F    84_F      F    84_A     6.808     0    0.546   1.155    16.609   21.786    8.182
LGA    S    85_F      S    85_A     5.495     0    0.693   0.606     6.601   19.524   22.619
LGA    F    86_F      F    86_A     9.613     0    0.218   1.370    13.359    1.310    3.983
LGA    V    87_F      V    87_A    16.683     0    0.039   0.054    20.849    0.000    0.000
LGA    L    88_F      L    88_A    21.469     0    0.108   0.297    24.035    0.000    0.000
LGA    P    89_F      P    89_A    26.463     0    0.399   0.548    30.287    0.000    0.000
LGA    G    90_F      G    90_A    30.324     0    0.162   0.162    31.145    0.000    0.000
LGA    V    91_F      V    91_A    27.069     0    0.052   0.075    27.641    0.000    0.000
LGA    N    92_F      N    92_A    24.496     0    0.282   1.246    25.579    0.000    0.000
LGA    D    93_F      D    93_A    20.421     0    0.133   0.936    25.778    0.000    0.000
LGA    R    94_F      R    94_A    17.471     0    0.581   1.053    18.388    0.000    0.000
LGA    A    95_F      A    95_A    17.471     0    0.640   0.589    19.397    0.000    0.000
LGA    T    96_F      T    96_A    16.941     0    0.644   1.375    19.718    0.000    0.000
LGA    V    97_F      V    97_A    11.752     0    0.138   0.122    13.406    0.000    0.204
LGA    A    98_F      A    98_A    12.591     0    0.100   0.105    14.087    0.000    0.000
LGA    T    99_F      T    99_A    10.770     0    0.019   0.058    12.184    0.119    0.136
LGA    A   100_F      A   100_A    11.597     0    0.000   0.013    13.250    0.000    0.000
LGA    D   101_F      D   101_A    10.816     0    0.017   0.790    12.456    0.000    0.060
LGA    E   102_F      E   102_A    11.341     0    0.046   1.146    14.134    0.000    0.000
LGA    A   103_F      A   103_A    11.627     0    0.043   0.045    14.622    0.000    0.000
LGA    K   104_F      K   104_A    15.556     0    0.073   1.203    20.109    0.000    0.000
LGA    K   105_F      K   105_A    17.080     0    0.114   0.214    20.167    0.000    0.000
LGA    W   106_F      W   106_A    17.492     0    0.147   0.497    19.067    0.000    0.000
LGA    E   107_F      E   107_A    20.934     0    0.631   1.194    28.257    0.000    0.000
LGA    N   108_F      N   108_A    25.945     0    0.197   0.213    30.663    0.000    0.000
LGA    C   109_F      C   109_A    20.977     0    0.627   0.971    22.209    0.000    0.000
LGA    D   110_F      D   110_A    20.130     0    0.565   1.218    25.547    0.000    0.000
LGA    A   111_F      A   111_A    20.148     0    0.101   0.109    20.566    0.000    0.000
LGA    T   112_F      T   112_A    18.370     0    0.564   1.389    20.567    0.000    0.000
LGA    L   113_F      L   113_A    13.216     0    0.629   1.343    15.208    0.000    0.357
LGA    T   114_F      T   114_A    17.536     0    0.138   1.135    21.220    0.000    0.000
LGA    G   115_F      G   115_A    16.569     0    0.650   0.650    17.251    0.000    0.000
LGA    L   116_F      L   116_A    15.314     0    0.029   0.163    15.973    0.000    0.000
LGA    Q   117_F      Q   117_A    17.803     0    0.045   1.049    23.673    0.000    0.000
LGA    R   118_F      R   118_A    22.374     0    0.182   1.229    31.735    0.000    0.000
LGA    I   119_F      I   119_A    24.342     0    0.529   1.095    26.199    0.000    0.000
LGA    I   120_F      I   120_A    28.845     0    0.679   0.526    32.414    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      120     480    480  100.00     931    931  100.00               124
SUMMARY(RMSD_GDC):    12.588         12.605                 13.015           21.085   18.832

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  120  124    4.0     36    2.62    28.226    24.468     1.326

LGA_LOCAL      RMSD:   2.615  Number of atoms:   36  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  13.129  Number of assigned atoms:  120 
Std_ASGN_ATOMS RMSD:  12.588  Standard rmsd on all 120 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.162461 * X  +  -0.772356 * Y  +  -0.614062 * Z  + -49.452461
  Y_new =   0.706342 * X  +   0.343510 * Y  +  -0.618936 * Z  +   8.099025
  Z_new =   0.688975 * X  +  -0.534291 * Y  +   0.489741 * Z  +  12.020613 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.796867 -0.760074 -0.828875   [DEG:  102.9529  -43.5491  -47.4910 ]
ZXZ: -0.781446  1.059004  2.230410   [DEG:  -44.7735   60.6764  127.7931 ]
 
# END of job
