
#######################################################
#                                                     #
#                        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:    47      19_A - 65_A        4.99    18.19
  LONGEST_CONTINUOUS_SEGMENT:    47      20_A - 66_A        4.95    18.14
  LONGEST_CONTINUOUS_SEGMENT:    47      21_A - 67_A        4.84    18.10
  LONGEST_CONTINUOUS_SEGMENT:    47      22_A - 68_A        4.85    18.09
  LONGEST_CONTINUOUS_SEGMENT:    47      23_A - 69_A        4.99    18.14
  LONGEST_CONTINUOUS_SEGMENT:    47      27_A - 73_A        5.00    18.41
  LCS_AVERAGE:     30.36

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      30_A - 59_A        1.98    17.70
  LONGEST_CONTINUOUS_SEGMENT:    30      31_A - 60_A        1.94    17.69
  LCS_AVERAGE:     12.07

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      33_A - 54_A        0.99    17.68
  LCS_AVERAGE:      7.55

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    9   16      3    5    5    6    7    9    9   10   11   12   13   16   18   19   27   30   32   38   40   40 
LCS_GDT     F     2_F     F     2_A      5    9   20      3    5    5    6    7    9    9   14   18   20   21   21   28   32   37   39   44   45   48   52 
LCS_GDT     T     3_F     T     3_A      5    9   24      3    5    5    6    7    9   11   15   17   22   23   26   27   30   34   36   37   39   44   50 
LCS_GDT     G     4_F     G     4_A      5   10   26      3    5    5    7   10   11   17   18   21   25   27   32   36   39   43   43   44   45   47   52 
LCS_GDT     W     5_F     W     5_A      7   10   26      3    6    7    8   13   14   17   19   21   27   28   32   36   41   43   43   44   46   48   54 
LCS_GDT     S     6_F     S     6_A      7   10   26      3    6    7    8   13   14   17   19   21   27   28   32   36   41   43   43   44   46   53   54 
LCS_GDT     P     7_F     P     7_A      7   10   26      4    6    7    8   13   14   17   18   21   25   27   32   36   41   43   43   44   50   53   54 
LCS_GDT     F     8_F     F     8_A      7   10   28      4    6    7    8   13   14   17   20   24   28   29   37   37   41   43   44   49   53   55   57 
LCS_GDT     K     9_F     K     9_A      7   10   28      4    6    7    8   13   14   17   20   24   28   34   37   38   41   43   47   49   53   55   57 
LCS_GDT     Y    10_F     Y    10_A      7   10   28      4    6    7    8   13   15   23   28   31   36   39   40   41   44   47   49   52   53   56   58 
LCS_GDT     S    11_F     S    11_A      7   10   28      4    6    7    8   13   20   23   28   31   36   39   40   41   44   47   49   52   53   56   58 
LCS_GDT     K    12_F     K    12_A      6   10   28      3    6    7    8   15   21   23   28   31   36   39   40   41   44   47   48   51   53   56   58 
LCS_GDT     G    13_F     G    13_A      6   10   28      3    6    7    8   15   21   23   28   31   33   35   38   41   44   47   48   51   53   55   57 
LCS_GDT     N    14_F     N    14_A      6   10   28      3    6    7    8   15   21   23   28   31   36   39   40   41   44   47   48   51   53   56   58 
LCS_GDT     T    15_F     T    15_A      6   10   28      3    6    7   12   19   24   26   29   32   36   39   40   41   44   47   50   53   55   57   61 
LCS_GDT     V    16_F     V    16_A      6   10   28      3    6   12   15   20   25   29   31   32   36   39   40   41   46   49   53   56   60   61   63 
LCS_GDT     T    17_F     T    17_A      6   10   28      3    4   12   15   20   25   29   31   32   36   39   40   41   46   49   53   56   60   61   63 
LCS_GDT     F    18_F     F    18_A      5   10   28      3    4   12   15   20   25   29   31   32   36   39   40   41   46   49   53   56   60   61   63 
LCS_GDT     K    19_F     K    19_A      5   10   47      3    4    5   15   19   25   29   31   32   36   39   40   41   46   49   53   56   60   61   63 
LCS_GDT     T    20_F     T    20_A      5    8   47      3    4    5    6    9   13   17   28   31   33   39   40   41   46   49   53   56   60   61   63 
LCS_GDT     P    21_F     P    21_A      5    7   47      3    4    5    6    8    9   12   15   17   21   28   33   40   46   49   53   56   60   61   63 
LCS_GDT     D    22_F     D    22_A      5    7   47      3    4    5    6    8    9   11   13   16   21   25   30   36   46   49   53   56   60   61   63 
LCS_GDT     E    23_F     E    23_A      4    6   47      3    4    4    4    5    8   10   13   15   19   30   34   41   44   46   51   56   60   61   63 
LCS_GDT     S    24_F     S    24_A      4    6   47      3    4    4    6   13   22   28   31   35   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     S    25_F     S    25_A      5    9   47      4    4    5    6    9   12   17   24   32   36   40   41   45   46   49   53   56   60   61   63 
LCS_GDT     I    26_F     I    26_A      5    9   47      4    4    5    6    9   17   25   32   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     A    27_F     A    27_A      5   10   47      4    4    5    9   18   26   29   32   35   40   42   43   45   46   49   52   56   60   61   63 
LCS_GDT     Y    28_F     Y    28_A      5   10   47      4    5    6    8   13   19   21   28   33   36   40   41   45   46   49   53   56   60   61   63 
LCS_GDT     M    29_F     M    29_A      5   24   47      3    5    7   10   13   19   24   32   35   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     R    30_F     R    30_A      5   30   47      3    5    8   13   21   28   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     F    31_F     F    31_A      5   30   47      1    5    8   14   22   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     R    32_F     R    32_A     21   30   47      4    8   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     N    33_F     N    33_A     22   30   47      9   17   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     C    34_F     C    34_A     22   30   47      4   17   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     V    35_F     V    35_A     22   30   47      9   17   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     F    36_F     F    36_A     22   30   47      6   17   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     T    37_F     T    37_A     22   30   47      6   17   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     F    38_F     F    38_A     22   30   47     10   17   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     T    39_F     T    39_A     22   30   47     10   17   20   24   26   29   31   33   36   40   42   43   45   46   48   51   56   60   61   63 
LCS_GDT     D    40_F     D    40_A     22   30   47     10   17   20   24   26   29   31   33   36   40   42   43   45   46   48   51   56   60   61   63 
LCS_GDT     P    41_F     P    41_A     22   30   47     10   17   20   24   26   29   31   33   36   40   42   43   45   46   48   51   55   59   61   63 
LCS_GDT     K    42_F     K    42_A     22   30   47     10   17   20   24   26   29   31   33   36   40   42   43   45   46   48   51   55   59   61   63 
LCS_GDT     G    43_F     G    43_A     22   30   47     10   17   20   24   26   29   31   33   36   40   42   43   45   46   48   51   56   60   61   63 
LCS_GDT     S    44_F     S    44_A     22   30   47     10   17   20   24   26   29   31   33   36   40   42   43   45   46   48   51   56   60   61   63 
LCS_GDT     L    45_F     L    45_A     22   30   47     10   17   20   24   26   29   31   33   36   40   42   43   45   46   49   52   56   60   61   63 
LCS_GDT     H    46_F     H    46_A     22   30   47     10   17   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     S    47_F     S    47_A     22   30   47      9   17   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     I    48_F     I    48_A     22   30   47     10   17   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     D    49_F     D    49_A     22   30   47     10   17   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     V    50_F     V    50_A     22   30   47      6   17   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     T    51_F     T    51_A     22   30   47      9   17   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     E    52_F     E    52_A     22   30   47      9   14   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     V    53_F     V    53_A     22   30   47      9   14   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     L    54_F     L    54_A     22   30   47      9   14   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     N    55_F     N    55_A     13   30   47      9   14   20   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     N    56_F     N    56_A     13   30   47      9   14   17   24   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     M    57_F     M    57_A     13   30   47      9   14   17   20   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     A    58_F     A    58_A     13   30   47      9   14   17   20   26   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     K    59_F     K    59_A     13   30   47      9   14   17   20   26   28   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     G    60_F     G    60_A     13   30   47      9   14   17   20   24   28   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     F    61_F     F    61_A     13   19   47      4    7   14   19   23   26   29   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     R    62_F     R    62_A     13   19   47      4    6   12   19   23   26   29   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     D    63_F     D    63_A     13   19   47      4    6   13   19   23   26   29   32   35   38   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     A    64_F     A    64_A      7   19   47      4    6   12   18   22   25   29   31   33   37   39   41   43   46   49   53   56   60   61   63 
LCS_GDT     Q    65_F     Q    65_A      7   19   47      4    6   12   18   22   25   29   31   32   36   39   40   43   46   49   53   56   60   61   63 
LCS_GDT     N    66_F     N    66_A      7   18   47      4    6   12   15   20   25   29   31   32   36   39   40   42   46   49   53   56   60   61   63 
LCS_GDT     P    67_F     P    67_A      7   18   47      3    6   12   15   20   25   29   31   32   36   39   40   42   46   49   53   56   60   61   63 
LCS_GDT     P    68_F     P    68_A      7   16   47      3    6   12   15   20   25   29   31   32   36   39   40   41   46   49   53   56   60   61   63 
LCS_GDT     S    69_F     S    69_A      7   16   47      3    4    6   12   20   25   29   31   32   36   39   40   41   45   49   53   56   60   61   63 
LCS_GDT     S    70_F     S    70_A      4   12   47      0    3    5    8   11   17   29   31   32   36   39   40   41   46   49   53   56   60   61   63 
LCS_GDT     F    71_F     F    71_A      4   12   47      3    3    5    8   11   21   29   31   32   34   39   40   42   46   49   53   56   60   61   63 
LCS_GDT     T    72_F     T    72_A      4   10   47      3    4    5    7   19   23   27   31   31   35   37   40   43   46   49   53   56   60   61   63 
LCS_GDT     L    73_F     L    73_A      4   10   47      3    4    5   18   22   26   28   31   34   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     G    74_F     G    74_A      4   10   46      3    4    4    5    9   13   19   21   30   32   37   37   39   45   48   51   53   57   60   63 
LCS_GDT     G    75_F     G    75_A      4    6   36      3    4    6    6    9   13   16   19   20   20   23   27   31   40   40   45   49   50   53   57 
LCS_GDT     H    76_F     H    76_A      3    6   36      3    3    4    5    8   13   16   18   20   20   23   26   27   29   33   35   37   39   45   52 
LCS_GDT     C    77_F     C    77_A      3    6   36      2    3    6   12   13   15   18   19   22   26   27   28   29   31   34   36   37   39   44   48 
LCS_GDT     Q    78_F     Q    78_A      3    4   36      2    3    3    9   12   16   19   21   24   26   27   28   30   32   34   36   37   40   43   45 
LCS_GDT     A    79_F     A    79_A      3    6   36      2    3    3   14   16   18   19   20   24   26   27   28   30   33   34   36   37   41   44   48 
LCS_GDT     P    80_F     P    80_A      3    6   36      2    3    4    5    7   18   19   20   24   26   27   28   30   33   34   36   40   42   49   51 
LCS_GDT     L    81_F     L    81_A      3    6   36      0    3    4    5   15   18   19   20   24   26   28   34   36   40   44   46   53   55   58   59 
LCS_GDT     N    82_F     N    82_A      3    6   36      8   10   12   14   16   18   22   24   26   27   33   35   40   43   45   51   53   55   58   60 
LCS_GDT     A    83_F     A    83_A      4    6   36      3    6   11   13   16   18   20   23   26   27   30   34   39   40   43   48   53   55   58   59 
LCS_GDT     F    84_F     F    84_A      4    6   36      3    3   12   14   16   18   19   22   24   27   30   34   35   36   41   45   49   55   56   59 
LCS_GDT     S    85_F     S    85_A      5    7   36      3    5    6   12   16   19   22   24   29   33   37   41   44   46   48   51   53   55   58   61 
LCS_GDT     F    86_F     F    86_A      5    7   36      3    5    6    6    7   11   15   20   24   26   29   34   35   38   43   46   53   55   56   59 
LCS_GDT     V    87_F     V    87_A      5    7   36      3    5   10   12   13   16   19   21   24   26   27   28   32   34   36   42   46   48   48   53 
LCS_GDT     L    88_F     L    88_A      5    7   36      3    5    6    6    9   12   17   21   23   26   27   28   30   33   34   37   40   42   45   47 
LCS_GDT     P    89_F     P    89_A      5    7   36      3    5    6    6   12   16   19   21   24   26   27   28   30   33   34   37   40   42   45   47 
LCS_GDT     G    90_F     G    90_A      4    7   36      3    4    6    6    6    7    9   10   17   23   27   28   29   33   34   37   40   42   45   46 
LCS_GDT     V    91_F     V    91_A      4    7   36      3    4    5    5    6    7    8   10   12   14   15   27   28   30   34   36   40   42   45   46 
LCS_GDT     N    92_F     N    92_A      3    6   36      3    4    5    5    6    7    9   10   12   14   15   26   28   31   34   36   37   41   45   46 
LCS_GDT     D    93_F     D    93_A      4    6   36      4    4    4    5   12   15   17   21   23   26   27   28   30   33   34   37   40   42   45   47 
LCS_GDT     R    94_F     R    94_A      4    6   36      4    4    5    5    6    7    8   11   14   17   20   24   27   30   34   38   40   42   45   47 
LCS_GDT     A    95_F     A    95_A      4    6   36      4    4    5    5    6    7    7   10   16   19   21   26   28   30   34   37   40   42   45   46 
LCS_GDT     T    96_F     T    96_A     12   14   36      4    8   11   14   16   18   19   21   24   26   27   28   30   33   34   37   40   42   45   46 
LCS_GDT     V    97_F     V    97_A     12   14   36      7   10   12   14   16   18   19   21   24   26   27   28   30   33   34   37   40   42   45   46 
LCS_GDT     A    98_F     A    98_A     12   14   36      8   10   12   14   16   18   19   21   24   26   27   28   30   33   34   37   39   42   45   46 
LCS_GDT     T    99_F     T    99_A     12   14   36      8   10   12   14   16   18   19   21   24   26   27   28   30   33   34   37   39   42   45   46 
LCS_GDT     A   100_F     A   100_A     12   14   36      8   10   12   14   16   18   19   21   24   26   27   28   30   33   34   37   39   42   45   46 
LCS_GDT     D   101_F     D   101_A     12   14   36      8   10   12   14   16   18   19   21   24   26   27   28   30   33   34   37   39   42   45   46 
LCS_GDT     E   102_F     E   102_A     12   14   36      8   10   12   14   16   18   19   21   24   26   27   28   30   33   34   37   40   42   45   46 
LCS_GDT     A   103_F     A   103_A     12   14   36      8   10   12   14   16   18   19   21   24   26   27   28   30   33   34   37   40   42   45   46 
LCS_GDT     K   104_F     K   104_A     12   14   36      8   10   12   14   16   18   19   21   24   26   27   28   30   33   34   37   40   42   45   46 
LCS_GDT     K   105_F     K   105_A     12   14   36      6   10   12   14   16   18   19   21   24   26   27   28   30   33   34   37   40   42   45   46 
LCS_GDT     W   106_F     W   106_A     12   14   36      5   10   12   14   16   18   19   21   24   26   27   28   30   33   34   38   40   42   45   47 
LCS_GDT     E   107_F     E   107_A     12   14   36      5   10   11   14   16   18   19   21   24   27   30   34   35   36   37   40   43   46   49   53 
LCS_GDT     N   108_F     N   108_A      4   14   36      3    4    5   13   15   17   19   22   24   27   30   34   35   36   39   42   45   50   53   56 
LCS_GDT     C   109_F     C   109_A      4   14   36      3    4    4    5   10   13   15   20   23   27   30   34   35   36   37   40   44   48   52   56 
LCS_GDT     D   110_F     D   110_A      3    6   34      1    3    4    4    5    9   11   13   18   27   30   34   35   36   39   42   44   49   52   56 
LCS_GDT     A   111_F     A   111_A      3    6   19      1    3    4    4    5    8   19   22   24   27   30   34   37   40   41   45   49   51   53   57 
LCS_GDT     T   112_F     T   112_A      3    3   18      1    3    4   13   16   18   22   24   26   27   33   36   41   46   48   51   53   55   59   63 
LCS_GDT     L   113_F     L   113_A      3    3   18      0    4    4    5   12   14   16   20   21   25   33   35   40   46   48   51   53   55   59   63 
LCS_GDT     T   114_F     T   114_A      3    3   10      0    4    4    6   12   14   16   20   21   24   33   35   37   40   45   50   53   55   59   63 
LCS_GDT     G   115_F     G   115_A      3    3   10      0    4    4    4    6    7   15   23   27   30   39   43   45   46   48   53   56   60   61   63 
LCS_GDT     L   116_F     L   116_A      3    3    9      1    3    9   19   23   29   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     Q   117_F     Q   117_A      3    3    9      0    3    3    3   19   28   31   33   36   40   42   43   45   46   49   53   56   60   61   63 
LCS_GDT     R   118_F     R   118_A      3    3    9      0    3    3    7   14   20   28   32   35   37   42   43   45   46   48   53   56   60   61   63 
LCS_GDT     I   119_F     I   119_A      3    3    9      0    3    3    3    3    4    6    6    8   10   11   29   33   45   47   49   51   53   57   60 
LCS_GDT     I   120_F     I   120_A      3    3    9      0    3    3    3    3    4    6    7   23   24   31   41   45   46   47   51   54   58   61   63 
LCS_AVERAGE  LCS_A:  16.66  (   7.55   12.07   30.36 )

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     17     20     24     26     29     31     33     36     40     42     43     45     46     49     53     56     60     61     63 
GDT PERCENT_AT   8.06  13.71  16.13  19.35  20.97  23.39  25.00  26.61  29.03  32.26  33.87  34.68  36.29  37.10  39.52  42.74  45.16  48.39  49.19  50.81
GDT RMS_LOCAL    0.27   0.57   0.78   1.16   1.41   1.79   2.03   2.21   2.63   3.08   3.26   3.37   3.60   3.74   4.70   5.05   5.29   5.68   5.75   5.94
GDT RMS_ALL_AT  17.87  17.63  17.65  17.72  17.73  17.79  17.77  17.74  17.67  17.66  17.67  17.66  17.67  17.70  19.23  19.30  18.49  18.82  18.60  18.69

# Checking swapping
#   possible swapping detected:  F     2_F      F     2_A
#   possible swapping detected:  F    18_F      F    18_A
#   possible swapping detected:  E    23_F      E    23_A
#   possible swapping detected:  F    31_F      F    31_A
#   possible swapping detected:  F    61_F      F    61_A
#   possible swapping detected:  F    84_F      F    84_A
#   possible swapping detected:  F    86_F      F    86_A
#   possible swapping detected:  D   101_F      D   101_A
#   possible swapping detected:  D   110_F      D   110_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_F      M     1_A    35.572     0    0.309   1.074    37.443    0.000    0.000
LGA    F     2_F      F     2_A    31.246     0    0.633   1.350    32.649    0.000    0.000
LGA    T     3_F      T     3_A    34.446     0    0.197   1.076    37.910    0.000    0.000
LGA    G     4_F      G     4_A    31.372     0    0.024   0.024    32.117    0.000    0.000
LGA    W     5_F      W     5_A    25.810     0    0.329   1.031    27.985    0.000    0.000
LGA    S     6_F      S     6_A    25.739     0    0.119   0.299    25.888    0.000    0.000
LGA    P     7_F      P     7_A    24.188     0    0.046   0.230    27.872    0.000    0.000
LGA    F     8_F      F     8_A    20.350     0    0.026   1.204    21.282    0.000    0.000
LGA    K     9_F      K     9_A    20.011     0    0.039   0.422    24.071    0.000    0.000
LGA    Y    10_F      Y    10_A    18.993     0    0.531   1.373    21.665    0.000    0.000
LGA    S    11_F      S    11_A    20.540     0    0.586   0.770    23.206    0.000    0.000
LGA    K    12_F      K    12_A    21.644     0    0.600   0.810    26.433    0.000    0.000
LGA    G    13_F      G    13_A    25.110     0    0.109   0.109    26.079    0.000    0.000
LGA    N    14_F      N    14_A    23.108     0    0.255   0.652    26.372    0.000    0.000
LGA    T    15_F      T    15_A    19.728     0    0.108   0.133    21.791    0.000    0.000
LGA    V    16_F      V    16_A    15.034     0    0.145   0.147    16.460    0.000    0.000
LGA    T    17_F      T    17_A    14.863     0    0.130   1.058    18.321    0.000    0.000
LGA    F    18_F      F    18_A    12.511     0    0.059   0.135    13.106    0.000    0.000
LGA    K    19_F      K    19_A    13.476     0    0.553   1.051    16.025    0.000    0.000
LGA    T    20_F      T    20_A    13.430     0    0.228   1.208    15.650    0.000    0.000
LGA    P    21_F      P    21_A    13.415     0    0.630   0.605    14.375    0.000    0.000
LGA    D    22_F      D    22_A    12.971     0    0.568   1.218    13.268    0.000    0.000
LGA    E    23_F      E    23_A     9.178     0    0.301   1.148    15.186    2.857    1.270
LGA    S    24_F      S    24_A     6.096     0    0.665   0.582     7.663   18.452   15.714
LGA    S    25_F      S    25_A     9.210     0    0.582   0.525    12.782    3.929    2.619
LGA    I    26_F      I    26_A     5.659     0    0.119   1.227     6.684   20.595   25.714
LGA    A    27_F      A    27_A     6.741     0    0.025   0.035     7.972   11.905   10.952
LGA    Y    28_F      Y    28_A     8.484     0    0.220   0.262    13.387    6.548    2.222
LGA    M    29_F      M    29_A     6.585     0    0.233   1.142     7.283   16.548   17.024
LGA    R    30_F      R    30_A     4.050     0    0.655   0.887     7.261   42.619   30.649
LGA    F    31_F      F    31_A     3.443     0    0.595   0.500     4.210   46.905   45.368
LGA    R    32_F      R    32_A     1.095     0    0.038   1.209     4.251   77.143   71.342
LGA    N    33_F      N    33_A     1.812     0    0.122   0.153     2.855   69.048   65.000
LGA    C    34_F      C    34_A     2.081     0    0.030   0.848     3.801   72.976   66.667
LGA    V    35_F      V    35_A     2.186     0    0.030   0.066     2.920   62.857   60.408
LGA    F    36_F      F    36_A     1.934     0    0.029   0.989     8.030   75.000   45.628
LGA    T    37_F      T    37_A     1.483     0    0.064   0.135     1.814   75.000   75.306
LGA    F    38_F      F    38_A     1.884     0    0.042   1.185     7.383   75.000   47.792
LGA    T    39_F      T    39_A     1.976     0    0.122   1.048     3.259   72.857   68.435
LGA    D    40_F      D    40_A     2.172     0    0.024   0.077     2.542   62.857   66.845
LGA    P    41_F      P    41_A     2.681     0    0.061   0.330     2.856   59.048   62.721
LGA    K    42_F      K    42_A     2.497     0    0.062   0.328     3.676   62.857   57.407
LGA    G    43_F      G    43_A     2.018     0    0.032   0.032     2.148   68.810   68.810
LGA    S    44_F      S    44_A     1.664     0    0.026   0.723     2.962   72.857   71.667
LGA    L    45_F      L    45_A     1.500     0    0.055   1.273     3.503   79.286   74.583
LGA    H    46_F      H    46_A     1.373     0    0.064   0.239     2.382   79.286   73.810
LGA    S    47_F      S    47_A     1.286     0    0.135   0.665     1.740   81.429   83.095
LGA    I    48_F      I    48_A     0.861     0    0.065   1.424     3.880   88.214   74.940
LGA    D    49_F      D    49_A     1.111     0    0.078   0.311     1.435   85.952   83.690
LGA    V    50_F      V    50_A     0.945     0    0.048   0.096     1.789   90.476   85.374
LGA    T    51_F      T    51_A     1.063     0    0.019   1.075     3.041   83.690   77.007
LGA    E    52_F      E    52_A     1.233     0    0.032   1.044     6.138   83.690   62.116
LGA    V    53_F      V    53_A     1.144     0    0.060   0.064     1.364   83.690   82.721
LGA    L    54_F      L    54_A     0.912     0    0.014   0.097     1.213   85.952   85.952
LGA    N    55_F      N    55_A     1.282     0    0.019   0.188     1.795   77.143   78.214
LGA    N    56_F      N    56_A     1.848     0    0.031   0.062     2.334   68.810   71.905
LGA    M    57_F      M    57_A     2.467     0    0.032   1.235     3.571   60.952   58.274
LGA    A    58_F      A    58_A     2.504     0    0.020   0.020     3.181   57.262   58.762
LGA    K    59_F      K    59_A     3.324     0    0.124   1.101     9.826   46.905   33.069
LGA    G    60_F      G    60_A     4.052     0    0.242   0.242     4.513   37.262   37.262
LGA    F    61_F      F    61_A     5.811     0    0.239   1.325     6.764   19.524   32.944
LGA    R    62_F      R    62_A     6.029     0    0.137   1.632     8.131   14.762   16.840
LGA    D    63_F      D    63_A     6.650     0    0.172   0.257     7.694   11.905   16.250
LGA    A    64_F      A    64_A     8.738     0    0.041   0.052    10.003    2.619    2.381
LGA    Q    65_F      Q    65_A    11.295     0    0.152   1.011    13.689    0.000    0.423
LGA    N    66_F      N    66_A    13.750     0    0.061   0.967    16.331    0.000    0.000
LGA    P    67_F      P    67_A    11.985     0    0.041   0.375    14.873    0.000    0.000
LGA    P    68_F      P    68_A    14.610     0    0.549   0.581    16.730    0.000    0.000
LGA    S    69_F      S    69_A    16.836     0    0.630   0.794    19.168    0.000    0.000
LGA    S    70_F      S    70_A    15.289     0    0.507   0.788    16.038    0.000    0.000
LGA    F    71_F      F    71_A    12.533     0    0.375   1.493    14.263    0.000    0.000
LGA    T    72_F      T    72_A     9.968     0    0.089   0.078    12.072    0.595    0.340
LGA    L    73_F      L    73_A     6.927     0    0.067   1.027     7.566   10.119   26.964
LGA    G    74_F      G    74_A    10.456     0    0.612   0.612    12.409    0.357    0.357
LGA    G    75_F      G    75_A    16.683     0    0.162   0.162    18.792    0.000    0.000
LGA    H    76_F      H    76_A    22.808     0    0.616   0.494    26.163    0.000    0.000
LGA    C    77_F      C    77_A    23.291     0    0.203   0.814    25.241    0.000    0.000
LGA    Q    78_F      Q    78_A    24.812     0    0.507   1.157    28.370    0.000    0.000
LGA    A    79_F      A    79_A    24.804     0    0.644   0.625    26.256    0.000    0.000
LGA    P    80_F      P    80_A    20.715     0    0.709   0.699    23.422    0.000    0.000
LGA    L    81_F      L    81_A    14.142     0    0.239   1.414    16.259    0.000    0.000
LGA    N    82_F      N    82_A    12.775     0    0.565   0.983    18.266    0.000    0.000
LGA    A    83_F      A    83_A    12.460     0    0.737   0.699    14.500    0.000    0.000
LGA    F    84_F      F    84_A    13.400     0    0.573   1.659    14.637    0.000    0.000
LGA    S    85_F      S    85_A     8.881     0    0.662   0.808    11.195    0.833    4.603
LGA    F    86_F      F    86_A    11.342     0    0.032   1.252    12.458    0.119    1.515
LGA    V    87_F      V    87_A    15.701     0    0.093   1.177    18.488    0.000    0.000
LGA    L    88_F      L    88_A    19.869     0    0.361   0.418    23.209    0.000    0.000
LGA    P    89_F      P    89_A    23.158     0    0.647   0.587    25.187    0.000    0.000
LGA    G    90_F      G    90_A    27.314     0    0.206   0.206    30.089    0.000    0.000
LGA    V    91_F      V    91_A    26.972     0    0.514   0.522    28.401    0.000    0.000
LGA    N    92_F      N    92_A    25.240     0    0.248   1.325    25.349    0.000    0.000
LGA    D    93_F      D    93_A    24.352     0    0.560   1.178    27.332    0.000    0.000
LGA    R    94_F      R    94_A    26.400     0    0.055   0.628    29.354    0.000    0.000
LGA    A    95_F      A    95_A    29.221     0    0.317   0.322    30.359    0.000    0.000
LGA    T    96_F      T    96_A    30.468     0    0.638   0.964    32.552    0.000    0.000
LGA    V    97_F      V    97_A    30.232     0    0.557   0.525    31.847    0.000    0.000
LGA    A    98_F      A    98_A    34.326     0    0.446   0.468    36.525    0.000    0.000
LGA    T    99_F      T    99_A    38.190     0    0.073   0.097    42.247    0.000    0.000
LGA    A   100_F      A   100_A    37.594     0    0.000   0.011    39.260    0.000    0.000
LGA    D   101_F      D   101_A    40.660     0    0.000   0.663    46.420    0.000    0.000
LGA    E   102_F      E   102_A    36.167     0    0.053   1.158    38.821    0.000    0.000
LGA    A   103_F      A   103_A    30.522     0    0.060   0.063    32.837    0.000    0.000
LGA    K   104_F      K   104_A    32.833     0    0.044   1.260    38.715    0.000    0.000
LGA    K   105_F      K   105_A    32.099     0    0.118   0.224    42.494    0.000    0.000
LGA    W   106_F      W   106_A    24.964     0    0.330   0.716    27.683    0.000    0.000
LGA    E   107_F      E   107_A    23.277     0    0.614   1.182    27.272    0.000    0.000
LGA    N   108_F      N   108_A    19.258     0    0.087   0.131    21.248    0.000    0.000
LGA    C   109_F      C   109_A    17.361     0    0.601   0.534    18.459    0.000    0.000
LGA    D   110_F      D   110_A    17.331     0    0.571   1.000    18.514    0.000    0.000
LGA    A   111_F      A   111_A    15.705     0    0.592   0.596    16.563    0.000    0.000
LGA    T   112_F      T   112_A     9.463     0    0.600   1.444    11.533    0.714    4.762
LGA    L   113_F      L   113_A     8.442     0    0.620   1.372    10.335    5.357    5.595
LGA    T   114_F      T   114_A     9.092     0    0.571   1.387    11.869    1.548    0.952
LGA    G   115_F      G   115_A     6.353     0    0.561   0.561     6.705   29.405   29.405
LGA    L   116_F      L   116_A     2.590     0    0.675   0.629     8.422   53.690   37.976
LGA    Q   117_F      Q   117_A     3.901     0    0.581   1.394     7.428   50.357   36.085
LGA    R   118_F      R   118_A     6.992     0    0.650   1.304    17.579    9.167    3.766
LGA    I   119_F      I   119_A    10.568     0    0.673   1.552    14.895    0.952    0.476
LGA    I   120_F      I   120_A     8.970     0    0.584   1.303    11.029    0.833    2.738

# 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):    15.889         15.790                 16.326           19.996   18.748

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  120  124    4.0     33    2.21    25.605    22.613     1.432

LGA_LOCAL      RMSD:   2.205  Number of atoms:   33  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  17.738  Number of assigned atoms:  120 
Std_ASGN_ATOMS RMSD:  15.889  Standard rmsd on all 120 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.821481 * X  +  -0.396533 * Y  +   0.409794 * Z  + -75.501457
  Y_new =   0.567622 * X  +   0.637353 * Y  +  -0.521139 * Z  +   0.529343
  Z_new =  -0.054534 * X  +   0.660714 * Y  +   0.748654 * Z  +   7.241250 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.604643  0.054561  0.723082   [DEG:   34.6435    3.1261   41.4296 ]
ZXZ:  0.666357  0.724767 -0.082352   [DEG:   38.1794   41.5261   -4.7184 ]
 
# END of job
