
#######################################################
#                                                     #
#                        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:    45      23_A - 67_A        4.91    17.07
  LCS_AVERAGE:     26.32

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      31_A - 60_A        1.82    17.87
  LCS_AVERAGE:     13.54

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      31_A - 54_A        0.98    17.89
  LONGEST_CONTINUOUS_SEGMENT:    24      32_A - 55_A        0.99    17.95
  LCS_AVERAGE:      8.94

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      5   11   17      4    4    6    8   10   10   11   12   14   14   15   33   46   51   55   56   58   62   64   68 
LCS_GDT     F     2_F     F     2_A      5   11   17      4    4    6    8   10   10   11   12   14   14   15   20   28   38   50   53   58   60   64   67 
LCS_GDT     T     3_F     T     3_A      5   11   17      4    4    6    8   10   10   11   12   14   14   22   37   40   46   50   53   56   60   64   66 
LCS_GDT     G     4_F     G     4_A      6   11   17      4    5    6    8   10   12   13   20   21   23   24   26   28   32   35   39   41   47   57   63 
LCS_GDT     W     5_F     W     5_A      6   11   18      4    5    6    8    9   12   16   20   21   23   24   26   28   32   35   39   41   46   52   63 
LCS_GDT     S     6_F     S     6_A      6   11   20      4    5    6    8   10   12   16   20   21   23   24   26   28   32   35   39   42   46   52   56 
LCS_GDT     P     7_F     P     7_A      6   11   20      4    5    6    8   10   12   13   20   21   23   24   26   28   32   35   39   41   42   52   55 
LCS_GDT     F     8_F     F     8_A      6   11   20      4    5    6    8   10   12   16   20   21   23   24   26   28   32   35   39   41   42   61   62 
LCS_GDT     K     9_F     K     9_A      6   11   20      4    5    6    8   10   10   16   20   21   23   24   26   28   32   35   46   52   58   61   64 
LCS_GDT     Y    10_F     Y    10_A      6   11   26      3    4    6    8   10   11   16   20   23   32   39   47   51   54   55   57   58   62   64   68 
LCS_GDT     S    11_F     S    11_A      6   11   26      3    4    6    8   10   11   16   20   23   32   39   47   51   54   55   57   58   62   64   67 
LCS_GDT     K    12_F     K    12_A      7   11   26      4    6    7    9   11   27   29   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     G    13_F     G    13_A      7   11   26      4    6    8   13   19   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     N    14_F     N    14_A      7   11   26      4    6    7   13   19   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     T    15_F     T    15_A      7   11   26      4    6    7    9   18   25   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     V    16_F     V    16_A      7   11   26      3    6    7    9   18   21   30   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     T    17_F     T    17_A      7   11   26      4    6    7    9   18   21   30   36   42   44   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     F    18_F     F    18_A      7   11   26      5    6    9   14   19   26   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     K    19_F     K    19_A      6   11   26      7   10   14   21   25   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     T    20_F     T    20_A      6   11   26      5    6    6   17   23   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     P    21_F     P    21_A      6   10   26      5    6    6    9   10   16   21   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     D    22_F     D    22_A      6    8   44      5    6    6    9   10   16   21   23   28   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     E    23_F     E    23_A      4    6   45      3    4    4    6    7    9   12   16   19   31   46   51   53   54   55   57   60   62   64   68 
LCS_GDT     S    24_F     S    24_A      4    7   45      3    4    4    6    8   17   20   25   34   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     S    25_F     S    25_A      5    9   45      3    4    5    7    8    9   18   19   28   31   44   50   53   54   55   57   60   62   64   68 
LCS_GDT     I    26_F     I    26_A      5    9   45      5    5    6   10   13   16   24   29   40   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     A    27_F     A    27_A      5    9   45      5    5    6   10   13   16   23   26   31   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     Y    28_F     Y    28_A      5    9   45      5    5    6   10   13   15   18   25   35   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     M    29_F     M    29_A      5    9   45      5    5    6   10   13   16   25   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     R    30_F     R    30_A      5   28   45      5    5    6   10   13   16   25   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     F    31_F     F    31_A     24   30   45      3    9   21   26   27   28   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     R    32_F     R    32_A     24   30   45      5   18   23   26   27   28   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     N    33_F     N    33_A     24   30   45      5   14   23   26   27   28   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     C    34_F     C    34_A     24   30   45      9   19   23   26   27   28   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     V    35_F     V    35_A     24   30   45      9   19   23   26   27   28   31   32   39   44   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     F    36_F     F    36_A     24   30   45     10   19   23   26   27   28   31   31   33   34   38   43   48   51   54   57   60   62   64   68 
LCS_GDT     T    37_F     T    37_A     24   30   45     10   19   23   26   27   28   31   31   33   34   38   40   47   51   53   57   59   62   64   68 
LCS_GDT     F    38_F     F    38_A     24   30   45      8   19   23   26   27   28   31   31   33   34   38   40   41   45   51   55   58   60   63   64 
LCS_GDT     T    39_F     T    39_A     24   30   45     10   19   23   26   27   28   31   31   33   34   38   40   41   43   46   49   57   60   63   64 
LCS_GDT     D    40_F     D    40_A     24   30   45     10   19   23   26   27   28   31   31   33   34   38   40   41   43   46   49   51   58   63   64 
LCS_GDT     P    41_F     P    41_A     24   30   45     10   19   23   26   27   27   31   31   33   34   37   40   41   43   44   46   50   53   57   63 
LCS_GDT     K    42_F     K    42_A     24   30   45     10   19   23   26   27   28   31   31   33   34   38   40   41   43   44   47   50   53   60   64 
LCS_GDT     G    43_F     G    43_A     24   30   45     10   19   23   26   27   28   31   31   33   34   38   40   41   43   46   49   55   59   63   64 
LCS_GDT     S    44_F     S    44_A     24   30   45     10   19   23   26   27   28   31   31   33   34   38   40   41   43   46   52   57   60   63   64 
LCS_GDT     L    45_F     L    45_A     24   30   45     10   19   23   26   27   28   31   31   33   34   38   40   41   45   51   55   58   60   63   64 
LCS_GDT     H    46_F     H    46_A     24   30   45      9   19   23   26   27   28   31   31   33   34   38   40   43   50   53   56   59   61   63   65 
LCS_GDT     S    47_F     S    47_A     24   30   45      9   14   23   26   27   28   31   31   33   34   38   43   48   51   54   57   60   62   64   68 
LCS_GDT     I    48_F     I    48_A     24   30   45     10   19   23   26   27   28   31   31   33   34   38   43   48   51   54   57   60   62   64   68 
LCS_GDT     D    49_F     D    49_A     24   30   45      9   19   23   26   27   28   31   34   39   44   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     V    50_F     V    50_A     24   30   45      9   19   23   26   27   28   31   35   42   44   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     T    51_F     T    51_A     24   30   45      7   19   23   26   27   28   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     E    52_F     E    52_A     24   30   45      7   19   23   26   27   28   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     V    53_F     V    53_A     24   30   45      7   19   23   26   27   28   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     L    54_F     L    54_A     24   30   45      6   11   23   26   27   28   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     N    55_F     N    55_A     24   30   45      6   11   23   26   27   28   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     N    56_F     N    56_A     14   30   45      6   12   23   26   27   28   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     M    57_F     M    57_A     12   30   45      4   11   16   22   27   28   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     A    58_F     A    58_A     12   30   45      5   11   15   21   25   28   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     K    59_F     K    59_A     12   30   45      4   11   15   21   25   28   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     G    60_F     G    60_A     12   30   45      4   11   15   21   25   28   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     F    61_F     F    61_A     13   25   45      4    9   15   21   25   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     R    62_F     R    62_A     13   25   45      4   10   15   21   25   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     D    63_F     D    63_A     13   25   45      7   10   15   21   25   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     A    64_F     A    64_A     13   25   45      7   10   15   21   25   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     Q    65_F     Q    65_A     13   25   45      7   10   15   21   25   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     N    66_F     N    66_A     13   25   45      7   10   15   21   25   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     P    67_F     P    67_A     13   25   45      6   10   15   21   25   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     P    68_F     P    68_A     13   25   44      4    6   14   21   25   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     S    69_F     S    69_A     13   25   44      7   10   14   21   25   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     S    70_F     S    70_A     13   25   42      7   10   14   21   25   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     F    71_F     F    71_A     13   25   42      3   10   15   21   25   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     T    72_F     T    72_A     13   25   32      3    9   15   21   25   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     L    73_F     L    73_A     13   25   32      3    7   14   20   24   27   31   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     G    74_F     G    74_A      7   25   32      3    5    9   13   22   26   26   30   36   41   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     G    75_F     G    75_A      3   15   32      3    3    4    6    7   10   16   18   25   30   34   37   42   44   47   51   55   59   61   64 
LCS_GDT     H    76_F     H    76_A      3    8   31      3    3    3    6   10   11   14   18   20   22   25   28   30   36   41   45   48   51   52   54 
LCS_GDT     C    77_F     C    77_A      3    6   30      1    3    5    8   10   12   15   18   20   22   25   28   30   36   41   45   48   51   52   54 
LCS_GDT     Q    78_F     Q    78_A      3    4   29      0    3    3    5    7    8   15   18   20   22   25   28   30   36   41   45   48   51   52   54 
LCS_GDT     A    79_F     A    79_A      3    6   17      0    3    4    5   11   15   16   18   20   22   25   28   30   36   41   45   48   51   52   54 
LCS_GDT     P    80_F     P    80_A      4    6   17      3    4    4    5    5   10   12   15   17   19   22   23   30   36   41   45   48   51   52   54 
LCS_GDT     L    81_F     L    81_A      4    6   17      3    4    4    5    7   10   13   15   18   24   34   38   41   44   52   55   58   59   64   66 
LCS_GDT     N    82_F     N    82_A      4    6   17      3    4    4    6   11   16   21   22   28   36   42   44   51   52   55   57   58   61   64   68 
LCS_GDT     A    83_F     A    83_A      4    6   17      0    4    4    6   11   24   26   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     F    84_F     F    84_A      3    6   17      1    3    4    5   12   16   24   30   39   44   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     S    85_F     S    85_A      5    8   17      3    5    5   10   13   17   26   36   42   45   48   51   53   54   55   57   60   62   64   68 
LCS_GDT     F    86_F     F    86_A      6    8   25      4    5    5    7   10   18   19   29   31   33   34   40   45   51   54   57   60   62   64   68 
LCS_GDT     V    87_F     V    87_A      6    8   25      4    5    5    7   10   10   14   16   19   30   32   35   40   42   43   45   48   51   56   62 
LCS_GDT     L    88_F     L    88_A      6    8   25      4    5    5    7   10   11   14   16   19   21   25   28   30   36   41   45   48   51   52   54 
LCS_GDT     P    89_F     P    89_A      6    8   25      4    5    5    7   10   10   12   16   19   21   25   28   30   36   41   45   48   51   52   54 
LCS_GDT     G    90_F     G    90_A      6    8   25      3    5    5    7    7    7    9   10   15   16   22   23   28   29   34   37   41   47   51   54 
LCS_GDT     V    91_F     V    91_A      6    8   25      3    5    5    7    7    7    8   10   11   15   18   23   28   29   34   37   40   46   51   54 
LCS_GDT     N    92_F     N    92_A      5    8   25      3    5    5    6    7    7    8    9   10   14   15   18   20   24   31   36   40   46   49   52 
LCS_GDT     D    93_F     D    93_A      4    8   25      3    4    4    5    6    7    9   13   15   16   19   25   30   36   40   45   48   51   52   54 
LCS_GDT     R    94_F     R    94_A      4    5   25      3    4    4    5    5    6    8   11   15   19   24   28   30   36   41   45   48   51   52   57 
LCS_GDT     A    95_F     A    95_A      3   12   25      3    3    3    4    5    5    6    8   16   20   24   24   26   32   36   41   47   50   52   54 
LCS_GDT     T    96_F     T    96_A     13   15   25      4   10   12   13   14   15   16   17   20   22   25   28   30   36   41   45   48   51   52   55 
LCS_GDT     V    97_F     V    97_A     13   15   25      7   11   12   13   14   15   16   18   20   22   25   28   36   46   52   55   59   62   64   68 
LCS_GDT     A    98_F     A    98_A     13   15   25      4   11   12   13   14   15   16   18   20   25   29   37   43   49   53   57   60   62   63   68 
LCS_GDT     T    99_F     T    99_A     13   15   25      7   11   12   13   14   15   16   18   20   22   25   37   43   51   53   57   60   62   64   68 
LCS_GDT     A   100_F     A   100_A     13   15   25      7   11   12   13   14   15   16   18   20   22   25   36   40   47   52   55   58   60   64   68 
LCS_GDT     D   101_F     D   101_A     13   15   25      7   11   12   13   14   15   16   18   20   22   25   28   40   46   52   55   58   61   64   68 
LCS_GDT     E   102_F     E   102_A     13   15   25      7   11   12   13   14   15   16   18   20   22   25   28   30   42   52   53   58   61   64   68 
LCS_GDT     A   103_F     A   103_A     13   15   25      7   11   12   13   14   15   16   18   20   22   25   28   40   46   52   55   58   61   64   68 
LCS_GDT     K   104_F     K   104_A     13   15   25      7   11   12   13   14   15   16   18   20   22   25   28   30   36   41   45   48   55   61   65 
LCS_GDT     K   105_F     K   105_A     13   15   25      4   11   12   13   14   15   16   18   20   22   25   28   30   36   41   45   48   51   52   59 
LCS_GDT     W   106_F     W   106_A     13   15   25      4   11   12   13   14   15   16   18   20   22   25   28   30   36   41   45   48   51   52   58 
LCS_GDT     E   107_F     E   107_A     13   15   25      4   11   12   13   14   15   16   18   20   22   25   28   30   36   41   45   48   51   52   57 
LCS_GDT     N   108_F     N   108_A     13   15   25      3    9   12   13   14   15   16   18   20   22   25   28   30   36   40   44   47   50   52   54 
LCS_GDT     C   109_F     C   109_A      8   15   25      3    5    9   13   14   15   16   18   20   22   25   28   30   36   41   45   48   51   52   54 
LCS_GDT     D   110_F     D   110_A      3   15   25      3    3    4    6   11   14   16   18   20   22   25   28   30   36   41   45   48   51   52   57 
LCS_GDT     A   111_F     A   111_A      3    3   25      0    3    4   10   12   13   14   17   20   22   24   28   30   36   41   45   48   51   52   57 
LCS_GDT     T   112_F     T   112_A      3    3   25      0    3    4    5    7   11   14   17   20   22   25   28   30   36   41   45   48   51   52   57 
LCS_GDT     L   113_F     L   113_A      3    3   25      1    3    4    5    5    9   13   17   19   22   25   29   34   39   43   48   53   57   61   64 
LCS_GDT     T   114_F     T   114_A      3    7   25      0    3    4    8    8   10   12   15   17   20   25   29   33   37   42   48   52   56   58   62 
LCS_GDT     G   115_F     G   115_A      6    7   25      3    5    5    8    8   10   12   15   18   21   25   29   34   39   43   48   52   57   59   62 
LCS_GDT     L   116_F     L   116_A      6    7   25      3    5    5    8   10   10   14   17   19   21   29   35   41   44   48   53   57   59   61   64 
LCS_GDT     Q   117_F     Q   117_A      6    7   25      3    5    5   16   18   21   27   29   32   33   33   36   41   44   52   55   57   59   61   64 
LCS_GDT     R   118_F     R   118_A      6    7   25      3    4    5    8   10   27   31   31   33   34   38   41   50   52   54   56   60   62   63   65 
LCS_GDT     I   119_F     I   119_A      6    7   24      3    5    5    8    8   10   20   26   33   34   38   40   50   54   55   57   60   62   63   65 
LCS_GDT     I   120_F     I   120_A      6    7   12      0    5    5    6   10   10   12   13   16   19   28   32   44   54   55   57   60   62   63   65 
LCS_AVERAGE  LCS_A:  16.27  (   8.94   13.54   26.32 )

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     26     27     28     31     36     42     45     48     51     53     54     55     57     60     62     64     68 
GDT PERCENT_AT   8.06  15.32  18.55  20.97  21.77  22.58  25.00  29.03  33.87  36.29  38.71  41.13  42.74  43.55  44.35  45.97  48.39  50.00  51.61  54.84
GDT RMS_LOCAL    0.17   0.59   0.85   1.10   1.25   1.74   1.92   2.46   2.88   3.37   3.48   3.68   3.91   4.03   4.20   4.52   4.84   5.12   5.54   5.95
GDT RMS_ALL_AT  18.42  18.11  18.04  17.95  17.86  17.77  17.95  13.69  13.65  13.71  13.67  13.63  13.67  13.71  13.75  13.66  13.68  13.54  13.33  13.26

# Checking swapping
#   possible swapping detected:  F     8_F      F     8_A
#   possible swapping detected:  Y    10_F      Y    10_A
#   possible swapping detected:  E    23_F      E    23_A
#   possible swapping detected:  F    31_F      F    31_A
#   possible swapping detected:  F    38_F      F    38_A
#   possible swapping detected:  E    52_F      E    52_A
#   possible swapping detected:  F    71_F      F    71_A
#   possible swapping detected:  F    84_F      F    84_A
#   possible swapping detected:  D   101_F      D   101_A
#   possible swapping detected:  E   102_F      E   102_A
#   possible swapping detected:  E   107_F      E   107_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A     8.229     0    0.348   1.071    10.985    2.024    6.131
LGA    F     2_F      F     2_A    12.146     0    0.650   1.289    12.644    0.000    0.000
LGA    T     3_F      T     3_A    15.033     0    0.194   1.083    18.852    0.000    0.000
LGA    G     4_F      G     4_A    19.240     0    0.099   0.099    19.240    0.000    0.000
LGA    W     5_F      W     5_A    17.839     0    0.136   0.862    19.993    0.000    0.000
LGA    S     6_F      S     6_A    18.376     0    0.023   0.745    18.376    0.000    0.000
LGA    P     7_F      P     7_A    18.674     0    0.065   0.244    22.383    0.000    0.000
LGA    F     8_F      F     8_A    16.200     0    0.049   1.197    18.290    0.000    0.000
LGA    K     9_F      K     9_A    15.264     0    0.112   0.465    21.554    0.000    0.000
LGA    Y    10_F      Y    10_A     9.587     0    0.114   1.307    13.641    0.119    1.786
LGA    S    11_F      S    11_A    10.341     0    0.649   0.905    12.971    1.190    0.794
LGA    K    12_F      K    12_A     5.030     0    0.635   1.022     6.686   24.286   41.005
LGA    G    13_F      G    13_A     3.672     0    0.220   0.220     3.930   43.333   43.333
LGA    N    14_F      N    14_A     3.467     0    0.081   0.835     5.762   50.119   40.357
LGA    T    15_F      T    15_A     3.377     0    0.016   0.202     3.936   46.667   45.238
LGA    V    16_F      V    16_A     3.770     0    0.188   0.229     4.423   41.786   42.449
LGA    T    17_F      T    17_A     3.835     0    0.099   1.123     6.205   50.357   40.272
LGA    F    18_F      F    18_A     3.305     0    0.074   1.139     5.068   48.333   44.502
LGA    K    19_F      K    19_A     1.743     0    0.019   0.806     6.226   70.833   57.090
LGA    T    20_F      T    20_A     2.971     0    0.196   1.165     5.359   57.262   51.905
LGA    P    21_F      P    21_A     3.944     0    0.385   0.383     6.900   33.214   34.082
LGA    D    22_F      D    22_A     5.863     0    0.628   1.302     8.379   16.905   30.536
LGA    E    23_F      E    23_A     9.191     0    0.320   0.921    16.765    2.500    1.111
LGA    S    24_F      S    24_A     8.255     0    0.560   0.892    10.203    3.690    6.349
LGA    S    25_F      S    25_A     8.947     0    0.589   0.888    10.334    6.071    4.286
LGA    I    26_F      I    26_A     6.349     0    0.174   0.859     7.163   13.452   19.881
LGA    A    27_F      A    27_A     7.799     0    0.082   0.089     8.665    7.857    6.857
LGA    Y    28_F      Y    28_A     7.208     0    0.096   0.401     9.818   13.571    6.667
LGA    M    29_F      M    29_A     5.162     0    0.017   1.108     5.983   23.810   31.369
LGA    R    30_F      R    30_A     5.081     0    0.104   1.520    15.900   36.429   15.628
LGA    F    31_F      F    31_A     3.115     0    0.580   0.505     7.345   55.476   31.126
LGA    R    32_F      R    32_A     3.776     0    0.066   1.019    10.231   45.000   25.065
LGA    N    33_F      N    33_A     1.917     0    0.118   0.215     5.040   70.833   56.667
LGA    C    34_F      C    34_A     3.531     0    0.043   0.781     4.344   48.690   49.444
LGA    V    35_F      V    35_A     5.741     0    0.042   0.067     7.613   17.500   20.952
LGA    F    36_F      F    36_A     9.629     0    0.046   1.052    15.138    1.310    0.476
LGA    T    37_F      T    37_A    12.609     0    0.025   0.128    14.222    0.000    0.000
LGA    F    38_F      F    38_A    15.803     0    0.056   1.271    18.079    0.000    0.000
LGA    T    39_F      T    39_A    19.835     0    0.118   1.038    21.154    0.000    0.000
LGA    D    40_F      D    40_A    22.437     0    0.030   0.135    24.168    0.000    0.000
LGA    P    41_F      P    41_A    26.499     0    0.038   0.146    28.197    0.000    0.000
LGA    K    42_F      K    42_A    27.317     0    0.029   0.326    30.118    0.000    0.000
LGA    G    43_F      G    43_A    24.290     0    0.043   0.043    25.199    0.000    0.000
LGA    S    44_F      S    44_A    21.793     0    0.037   0.727    22.944    0.000    0.000
LGA    L    45_F      L    45_A    17.932     0    0.053   0.677    19.344    0.000    0.000
LGA    H    46_F      H    46_A    15.218     0    0.028   1.087    19.934    0.000    0.000
LGA    S    47_F      S    47_A    11.623     0    0.102   0.648    13.010    0.000    0.000
LGA    I    48_F      I    48_A     9.500     0    0.088   0.108    10.599    4.643    2.381
LGA    D    49_F      D    49_A     5.537     0    0.027   0.259     7.107   18.690   27.440
LGA    V    50_F      V    50_A     4.455     0    0.034   0.088     6.969   42.143   32.789
LGA    T    51_F      T    51_A     0.893     0    0.143   1.041     2.978   84.048   77.075
LGA    E    52_F      E    52_A     1.113     0    0.034   1.439     8.647   85.952   52.011
LGA    V    53_F      V    53_A     2.193     0    0.045   0.084     3.564   66.786   59.660
LGA    L    54_F      L    54_A     2.549     0    0.025   1.398     6.644   60.952   44.643
LGA    N    55_F      N    55_A     1.684     0    0.068   0.808     5.260   75.000   59.226
LGA    N    56_F      N    56_A     0.888     0    0.021   0.046     1.577   83.690   82.619
LGA    M    57_F      M    57_A     2.081     0    0.036   0.816     5.381   66.786   59.107
LGA    A    58_F      A    58_A     2.526     0    0.024   0.021     2.865   62.857   61.714
LGA    K    59_F      K    59_A     1.718     0    0.123   1.340     9.116   77.143   51.640
LGA    G    60_F      G    60_A     1.507     0    0.230   0.230     2.483   72.976   72.976
LGA    F    61_F      F    61_A     1.759     0    0.253   1.193     8.421   77.143   44.416
LGA    R    62_F      R    62_A     1.438     0    0.131   1.081     4.559   83.810   56.840
LGA    D    63_F      D    63_A     1.348     0    0.150   0.246     2.057   81.429   76.131
LGA    A    64_F      A    64_A     1.235     0    0.027   0.037     1.235   81.429   81.429
LGA    Q    65_F      Q    65_A     1.230     0    0.170   1.007     5.632   81.429   60.053
LGA    N    66_F      N    66_A     1.456     0    0.041   0.971     4.791   79.286   67.917
LGA    P    67_F      P    67_A     1.021     0    0.047   0.334     1.393   83.690   87.959
LGA    P    68_F      P    68_A     2.056     0    0.135   0.387     2.708   75.119   70.748
LGA    S    69_F      S    69_A     1.658     0    0.139   0.135     2.927   77.143   70.476
LGA    S    70_F      S    70_A     0.830     0    0.055   0.741     1.405   85.952   85.952
LGA    F    71_F      F    71_A     1.720     0    0.376   1.290     4.974   77.262   59.870
LGA    T    72_F      T    72_A     1.959     0    0.023   0.079     2.646   65.000   68.435
LGA    L    73_F      L    73_A     3.524     0    0.217   1.350     5.644   38.333   50.595
LGA    G    74_F      G    74_A     6.174     0    0.609   0.609     7.854   14.405   14.405
LGA    G    75_F      G    75_A    11.643     0    0.048   0.048    14.554    0.000    0.000
LGA    H    76_F      H    76_A    18.420     0    0.632   1.098    22.601    0.000    0.000
LGA    C    77_F      C    77_A    19.538     0    0.607   0.949    20.615    0.000    0.000
LGA    Q    78_F      Q    78_A    20.351     0    0.501   1.084    23.934    0.000    0.000
LGA    A    79_F      A    79_A    20.238     0    0.566   0.582    20.897    0.000    0.000
LGA    P    80_F      P    80_A    17.279     0    0.419   0.588    19.386    0.000    0.000
LGA    L    81_F      L    81_A    10.718     0    0.243   0.339    13.492    0.000    4.167
LGA    N    82_F      N    82_A     8.012     0    0.709   1.146    11.004   14.286    8.095
LGA    A    83_F      A    83_A     4.425     0    0.669   0.604     4.918   35.714   34.857
LGA    F    84_F      F    84_A     5.667     0    0.668   1.423    13.007   30.357   11.948
LGA    S    85_F      S    85_A     4.969     0    0.605   0.832     6.537   22.976   21.905
LGA    F    86_F      F    86_A     9.542     0    0.150   0.277    12.925    1.905   16.234
LGA    V    87_F      V    87_A    16.042     0    0.016   0.048    19.355    0.000    0.000
LGA    L    88_F      L    88_A    21.975     0    0.189   1.211    25.081    0.000    0.000
LGA    P    89_F      P    89_A    27.400     0    0.663   0.599    30.933    0.000    0.000
LGA    G    90_F      G    90_A    32.175     0    0.039   0.039    33.845    0.000    0.000
LGA    V    91_F      V    91_A    29.506     0    0.566   1.399    30.077    0.000    0.000
LGA    N    92_F      N    92_A    24.880     0    0.221   1.221    26.473    0.000    0.000
LGA    D    93_F      D    93_A    19.430     0    0.105   1.040    21.785    0.000    0.000
LGA    R    94_F      R    94_A    16.922     0    0.619   0.680    17.229    0.000    0.000
LGA    A    95_F      A    95_A    18.261     0    0.549   0.506    19.401    0.000    0.000
LGA    T    96_F      T    96_A    16.538     0    0.599   0.537    18.592    0.000    0.000
LGA    V    97_F      V    97_A    11.681     0    0.193   0.185    13.083    0.000    0.000
LGA    A    98_F      A    98_A    10.575     0    0.089   0.096    11.410    0.119    0.095
LGA    T    99_F      T    99_A     9.800     0    0.037   0.061    10.454    0.238    0.340
LGA    A   100_F      A   100_A    12.721     0    0.012   0.019    14.462    0.000    0.000
LGA    D   101_F      D   101_A    14.044     0    0.035   1.140    16.254    0.000    0.000
LGA    E   102_F      E   102_A    13.619     0    0.045   1.178    15.455    0.000    0.000
LGA    A   103_F      A   103_A    13.347     0    0.049   0.057    16.491    0.000    0.000
LGA    K   104_F      K   104_A    18.667     0    0.089   0.392    27.582    0.000    0.000
LGA    K   105_F      K   105_A    20.424     0    0.075   0.624    22.617    0.000    0.000
LGA    W   106_F      W   106_A    19.240     0    0.046   0.248    20.269    0.000    0.000
LGA    E   107_F      E   107_A    23.007     0    0.098   1.051    29.280    0.000    0.000
LGA    N   108_F      N   108_A    27.372     0    0.192   0.239    31.825    0.000    0.000
LGA    C   109_F      C   109_A    22.223     0    0.625   0.616    23.569    0.000    0.000
LGA    D   110_F      D   110_A    21.686     0    0.600   0.670    21.937    0.000    0.000
LGA    A   111_F      A   111_A    22.327     0    0.608   0.593    24.125    0.000    0.000
LGA    T   112_F      T   112_A    20.652     0    0.591   1.423    22.417    0.000    0.000
LGA    L   113_F      L   113_A    15.225     0    0.602   0.833    17.237    0.000    0.000
LGA    T   114_F      T   114_A    17.503     0    0.608   1.401    21.232    0.000    0.000
LGA    G   115_F      G   115_A    16.777     0    0.707   0.707    17.773    0.000    0.000
LGA    L   116_F      L   116_A    12.999     0    0.041   0.140    14.750    0.000    0.000
LGA    Q   117_F      Q   117_A    12.222     0    0.066   1.108    20.027    0.000    0.000
LGA    R   118_F      R   118_A    10.137     0    0.149   1.221    13.337    0.000    0.693
LGA    I   119_F      I   119_A     9.885     0    0.638   0.917    12.295    0.357    0.238
LGA    I   120_F      I   120_A    11.858     0    0.649   0.896    14.964    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):    12.965         12.973                 13.157           22.110   19.616

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  120  124    4.0     36    2.46    27.823    24.958     1.408

LGA_LOCAL      RMSD:   2.456  Number of atoms:   36  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  13.693  Number of assigned atoms:  120 
Std_ASGN_ATOMS RMSD:  12.965  Standard rmsd on all 120 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.397472 * X  +  -0.913074 * Y  +  -0.091170 * Z  + -48.468231
  Y_new =  -0.845146 * X  +   0.325571 * Y  +   0.423949 * Z  +  15.333672
  Z_new =  -0.357414 * X  +   0.245559 * Y  +  -0.901086 * Z  +  16.227234 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.010403  0.365498  2.875538   [DEG: -115.1876   20.9415  164.7562 ]
ZXZ: -2.929770  2.693063 -0.968819   [DEG: -167.8635  154.3012  -55.5092 ]
 
# END of job
