
#######################################################
#                                                     #
#                        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  126 ( 1076),  selected  124 , name one
# Molecule2: number of CA atoms  124 ( 1059),  selected  124 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:D  -ch2:D  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    65       2_D - 66_D        4.44    26.19
  LCS_AVERAGE:     47.34

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58       2_D - 59_D        1.93    26.09
  LCS_AVERAGE:     30.69

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      95_D - 125_D       0.89    20.07
  LCS_AVERAGE:     16.36

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     D     2_D     D     2_D     25   58   65      4   11   38   45   49   52   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     K     3_D     K     3_D     25   58   65      4   31   40   46   50   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     E     4_D     E     4_D     25   58   65     14   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     I     5_D     I     5_D     25   58   65     14   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     A     6_D     A     6_D     25   58   65     14   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     K     7_D     K     7_D     25   58   65     14   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     E     8_D     E     8_D     25   58   65     14   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     I     9_D     I     9_D     25   58   65     14   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     F    10_D     F    10_D     25   58   65     14   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     N    11_D     N    11_D     25   58   65     14   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     M    12_D     M    12_D     25   58   65     14   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     M    13_D     M    13_D     25   58   65     14   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     F    14_D     F    14_D     25   58   65     10   23   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     M    15_D     M    15_D     25   58   65     14   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     L    16_D     L    16_D     25   58   65     14   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     L    17_D     L    17_D     25   58   65     14   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     W    18_D     W    18_D     25   58   65      5   30   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     R    19_D     R    19_D     25   58   65     13   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     V    20_D     V    20_D     25   58   65     13   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     F    21_D     F    21_D     25   58   65     13   30   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     R    22_D     R    22_D     25   58   65     13   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     S    23_D     S    23_D     25   58   65      3   22   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     Q    24_D     Q    24_D     25   58   65     14   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     R    25_D     R    25_D     25   58   65      3   22   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     I    26_D     I    26_D     25   58   65      3    4   23   43   50   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     D    27_D     D    27_D     25   58   65      4   13   41   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     A    28_D     A    28_D      5   58   65      4    5    5    8   13   51   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     N    29_D     N    29_D      5   58   65      4   17   26   36   46   51   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     N    30_D     N    30_D     23   58   65      5   11   20   35   47   51   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     V    31_D     V    31_D     24   58   65     12   18   39   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     E    32_D     E    32_D     24   58   65     12   29   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     L    33_D     L    33_D     24   58   65     12   26   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     I    34_D     I    34_D     24   58   65     12   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     K    35_D     K    35_D     24   58   65     12   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     F    36_D     F    36_D     24   58   65     12   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     N    37_D     N    37_D     24   58   65     12   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     I    38_D     I    38_D     24   58   65     12   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     R    39_D     R    39_D     24   58   65     12   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     V    40_D     V    40_D     24   58   65     12   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     L    41_D     L    41_D     24   58   65     12   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     D    42_D     D    42_D     24   58   65     12   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     W    43_D     W    43_D     24   58   65     11   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     I    44_D     I    44_D     24   58   65     10   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     M    45_D     M    45_D     24   58   65      9   30   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     A    46_D     A    46_D     24   58   65      9   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     E    47_D     E    47_D     24   58   65      9   31   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     A    48_D     A    48_D     24   58   65      9   30   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     D    49_D     D    49_D     24   58   65      9   26   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     N    50_D     N    50_D     24   58   65      9   26   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     D    51_D     D    51_D     24   58   65      9   26   42   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     L    52_D     L    52_D     24   58   65      9   18   40   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     C    53_D     C    53_D     24   58   65      9   18   33   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     Y    54_D     Y    54_D     24   58   65      8   18   30   47   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     F    55_D     F    55_D     23   58   65      8   18   30   36   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     I    56_D     I    56_D     22   58   65      3   11   28   36   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     G    57_D     G    57_D      5   58   65      3    6   19   38   51   53   56   57   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     T    58_D     T    58_D      5   58   65      4    4   18   36   51   53   56   57   57   59   59   59   59   59   62   63   63   65   65   65 
LCS_GDT     H    59_D     H    59_D      5   58   65      4    4   16   24   32   43   51   52   56   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     D    60_D     D    60_D      5   31   65      4    4   17   38   42   47   50   53   57   59   59   59   59   60   62   63   63   65   65   65 
LCS_GDT     K    61_D     K    61_D      5    5   65      4    4    7    8    9   12   20   25   40   45   52   53   57   60   62   63   63   65   65   65 
LCS_GDT     C    62_D     C    62_D      5    5   65      3    3    5    5    9   10   11   17   25   33   41   53   54   59   62   63   63   65   65   65 
LCS_GDT     E    63_D     E    63_D      4    5   65      3    4    5    6    8   11   13   20   26   33   41   43   47   52   61   63   63   65   65   65 
LCS_GDT     N    64_D     N    64_D      4    5   65      3    4    4    5    8   11   19   28   32   35   41   48   53   60   62   63   63   65   65   65 
LCS_GDT     P    65_D     P    65_D      4    5   65      3    4    5    5    8   11   13   18   19   23   30   38   43   44   51   55   61   65   65   65 
LCS_GDT     K    66_D     K    66_D      4    5   65      3    4    4    5    8   15   22   28   32   34   41   43   47   50   56   58   63   65   65   65 
LCS_GDT     E    67_D     E    67_D      3    5   50      1    3    4    6    9   13   18   25   31   35   41   45   47   47   48   50   51   53   54   59 
LCS_GDT     Q    68_D     Q    68_D      3   13   50      0    3    3    5    6   10   13   20   28   35   41   45   47   47   48   50   51   52   52   53 
LCS_GDT     W    69_D     W    69_D     12   14   50      3   11   13   14   14   17   18   20   31   35   41   45   47   47   48   50   51   52   53   56 
LCS_GDT     V    70_D     V    70_D     12   14   50      7   11   13   14   14   17   18   20   28   35   41   45   47   47   48   50   51   52   52   56 
LCS_GDT     A    71_D     A    71_D     12   14   50      7   11   13   14   14   17   18   18   19   31   41   45   47   47   48   50   51   52   52   56 
LCS_GDT     N    72_D     N    72_D     12   14   50      7   11   13   14   14   17   18   22   31   35   41   45   47   47   48   50   51   53   54   57 
LCS_GDT     Y    73_D     Y    73_D     12   14   50      7   11   13   14   14   17   18   22   31   35   41   45   47   47   48   50   52   53   56   59 
LCS_GDT     Q    74_D     Q    74_D     12   14   52      7   11   13   14   14   17   18   18   25   34   41   45   47   47   48   50   52   53   56   59 
LCS_GDT     N    75_D     N    75_D     12   14   52      7   11   13   14   14   17   18   18   23   34   41   45   47   47   48   50   52   53   56   58 
LCS_GDT     L    76_D     L    76_D     12   14   52      7   11   13   14   14   17   18   18   23   34   41   45   47   47   49   52   53   55   56   59 
LCS_GDT     N    77_D     N    77_D     12   14   52      7   11   13   14   14   17   18   18   27   33   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     N    78_D     N    78_D     12   14   52      7   11   13   14   14   17   18   18   19   27   35   45   47   49   50   52   53   55   56   59 
LCS_GDT     V    79_D     V    79_D     12   14   52      7   10   13   14   14   17   18   18   19   22   27   33   39   47   49   52   53   55   56   59 
LCS_GDT     V    80_D     V    80_D     12   14   52      7   11   13   14   14   17   18   33   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     F    81_D     F    81_D      4   14   52      3    9   13   28   31   32   34   35   36   39   39   43   47   47   49   52   53   55   56   59 
LCS_GDT     T    82_D     T    82_D      4   14   52      3    4    7   10   22   29   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     N    83_D     N    83_D      4    4   52      3    7   15   22   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     K    84_D     K    84_D      4    4   52      3    7   15   23   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     E    85_D     E    85_D      3    4   52      3    4    4    6   12   19   23   31   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     L    86_D     L    86_D      4    6   52      3    4    5    8   10   13   16   20   26   33   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     E    87_D     E    87_D      4    6   52      3    4    4    7    9   13   15   17   23   30   35   39   44   47   48   52   53   55   56   59 
LCS_GDT     D    88_D     D    88_D      4    6   52      3    3    5    8   10   13   17   22   29   35   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     I    89_D     I    89_D      4    6   52      3    3    5    8   14   22   33   34   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     Y    90_D     Y    90_D      3    6   52      3    3    3    6   10   13   16   19   28   38   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     D    91_D     D    91_D      4    6   52      3    4    4    6   10   13   16   19   26   36   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     L    92_D     L    92_D      4    4   52      3    4    4    4    4    6    9   17   27   33   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     S    93_D     S    93_D      4    4   52      3    4    4    4    5    5   11   15   27   34   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     N    94_D     N    94_D      4   32   52      3    4    4    7   14   25   33   34   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     K    95_D     K    95_D     31   32   52      5   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     E    96_D     E    96_D     31   32   52     15   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     E    97_D     E    97_D     31   32   52     14   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     T    98_D     T    98_D     31   32   52     17   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     K    99_D     K    99_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     E   100_D     E   100_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     V   101_D     V   101_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     L   102_D     L   102_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     K   103_D     K   103_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     K   104_D     K   104_D     31   32   52     14   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     F   105_D     F   105_D     31   32   52     14   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     K   106_D     K   106_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     E   107_D     E   107_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     K   108_D     K   108_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     V   109_D     V   109_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     N   110_D     N   110_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     Q   111_D     Q   111_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     F   112_D     F   112_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     Y   113_D     Y   113_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     R   114_D     R   114_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     H   115_D     H   115_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     A   116_D     A   116_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     F   117_D     F   117_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     D   118_D     D   118_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     I   119_D     I   119_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     I   120_D     I   120_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     N   121_D     N   121_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     K   122_D     K   122_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     Y   123_D     Y   123_D     31   32   52     21   29   30   30   31   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     G   124_D     G   124_D     31   32   52      3    3    3   16   27   32   34   35   37   39   40   45   47   49   50   52   53   55   56   59 
LCS_GDT     L   125_D     L   125_D     31   32   52      3    3   30   30   31   32   34   35   37   39   39   42   46   47   50   52   53   55   55   57 
LCS_AVERAGE  LCS_A:  31.46  (  16.36   30.69   47.34 )

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     21     31     42     47     51     53     56     57     57     59     59     59     59     60     62     63     63     65     65     65 
GDT PERCENT_AT  16.94  25.00  33.87  37.90  41.13  42.74  45.16  45.97  45.97  47.58  47.58  47.58  47.58  48.39  50.00  50.81  50.81  52.42  52.42  52.42
GDT RMS_LOCAL    0.32   0.67   0.94   1.16   1.39   1.44   1.68   1.73   1.73   2.07   2.07   2.07   2.07   2.96   3.28   3.63   3.63   4.44   4.44   4.44
GDT RMS_ALL_AT  20.08  26.32  26.18  26.12  26.07  26.10  26.04  26.02  26.02  26.13  26.13  26.13  26.13  26.22  26.22  26.25  26.25  26.19  26.19  26.19

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  E     8_D      E     8_D
#   possible swapping detected:  F    10_D      F    10_D
#   possible swapping detected:  E    47_D      E    47_D
#   possible swapping detected:  D    60_D      D    60_D
#   possible swapping detected:  F    81_D      F    81_D
#   possible swapping detected:  E    85_D      E    85_D
#   possible swapping detected:  E    87_D      E    87_D
#   possible swapping detected:  D    91_D      D    91_D
#   possible swapping detected:  E    96_D      E    96_D
#   possible swapping detected:  E    97_D      E    97_D
#   possible swapping detected:  E   100_D      E   100_D
#   possible swapping detected:  F   105_D      F   105_D
#   possible swapping detected:  E   107_D      E   107_D
#   possible swapping detected:  D   118_D      D   118_D
#   possible swapping detected:  Y   123_D      Y   123_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D     2.963     0    0.089   0.594     3.541   55.357   56.488
LGA    K     3_D      K     3_D     1.938     0    0.080   0.542     2.190   75.119   73.915
LGA    E     4_D      E     4_D     0.768     0    0.112   0.949     3.477   88.214   75.767
LGA    I     5_D      I     5_D     0.820     0    0.019   0.115     1.006   90.476   89.345
LGA    A     6_D      A     6_D     0.739     0    0.028   0.029     0.787   90.476   90.476
LGA    K     7_D      K     7_D     0.784     0    0.013   0.901     3.882   90.476   81.270
LGA    E     8_D      E     8_D     0.605     0    0.043   1.244     4.909   95.238   71.852
LGA    I     9_D      I     9_D     0.468     0    0.009   0.100     0.557   95.238   97.619
LGA    F    10_D      F    10_D     0.625     0    0.029   0.338     1.715   90.476   86.407
LGA    N    11_D      N    11_D     0.730     0    0.018   0.075     1.287   90.476   87.083
LGA    M    12_D      M    12_D     0.341     0    0.044   0.906     4.244  100.000   88.750
LGA    M    13_D      M    13_D     0.456     0    0.047   0.759     3.352   95.238   85.774
LGA    F    14_D      F    14_D     1.187     0    0.128   1.277     8.219   90.595   51.818
LGA    M    15_D      M    15_D     0.287     0    0.009   0.580     1.483  100.000   96.488
LGA    L    16_D      L    16_D     0.442     0    0.058   0.077     0.783  100.000   95.238
LGA    L    17_D      L    17_D     0.556     0    0.069   1.325     4.425   88.214   73.214
LGA    W    18_D      W    18_D     1.303     0    0.056   1.477     5.322   81.548   61.020
LGA    R    19_D      R    19_D     1.135     0    0.051   1.379     4.316   79.286   72.078
LGA    V    20_D      V    20_D     1.147     0    0.011   0.091     1.499   81.429   82.721
LGA    F    21_D      F    21_D     1.459     0    0.045   0.968     6.164   81.429   56.017
LGA    R    22_D      R    22_D     1.102     0    0.056   1.194    11.702   81.429   44.069
LGA    S    23_D      S    23_D     1.571     0    0.156   0.607     2.335   79.286   75.794
LGA    Q    24_D      Q    24_D     0.996     0    0.248   1.088     4.544   88.214   71.005
LGA    R    25_D      R    25_D     1.345     0    0.285   1.179    11.722   73.214   39.784
LGA    I    26_D      I    26_D     2.636     0    0.098   0.153     5.286   64.881   49.702
LGA    D    27_D      D    27_D     1.733     0    0.321   0.910     3.991   70.833   63.333
LGA    A    28_D      A    28_D     3.772     0    0.705   0.644     5.971   39.762   37.048
LGA    N    29_D      N    29_D     4.261     0    0.185   0.840     9.010   36.429   23.810
LGA    N    30_D      N    30_D     3.385     0    0.358   0.490     6.794   57.262   39.762
LGA    V    31_D      V    31_D     2.071     0    0.067   0.925     4.490   69.048   61.088
LGA    E    32_D      E    32_D     1.155     0    0.029   0.863     3.566   83.810   67.778
LGA    L    33_D      L    33_D     1.264     0    0.033   1.430     5.548   81.429   62.560
LGA    I    34_D      I    34_D     1.074     0    0.026   0.203     1.530   85.952   82.619
LGA    K    35_D      K    35_D     1.098     0    0.008   0.572     2.512   83.690   75.979
LGA    F    36_D      F    36_D     0.991     0    0.059   0.096     1.235   88.214   85.541
LGA    N    37_D      N    37_D     0.850     0    0.006   0.503     1.721   90.476   87.143
LGA    I    38_D      I    38_D     1.289     0    0.025   0.611     2.104   79.286   76.131
LGA    R    39_D      R    39_D     1.743     0    0.052   0.908     3.836   72.857   65.801
LGA    V    40_D      V    40_D     1.258     0    0.050   0.067     1.328   81.429   81.429
LGA    L    41_D      L    41_D     1.019     0    0.047   1.308     4.062   81.429   69.881
LGA    D    42_D      D    42_D     1.663     0    0.012   0.264     2.259   75.000   71.905
LGA    W    43_D      W    43_D     1.746     0    0.011   1.243     7.819   72.857   44.626
LGA    I    44_D      I    44_D     1.289     0    0.012   0.087     1.341   81.429   81.429
LGA    M    45_D      M    45_D     1.354     0    0.032   0.625     2.521   81.429   75.179
LGA    A    46_D      A    46_D     1.220     0    0.008   0.015     1.318   81.429   81.429
LGA    E    47_D      E    47_D     1.109     0    0.080   1.094     6.259   85.952   60.000
LGA    A    48_D      A    48_D     0.781     0    0.028   0.042     1.027   90.476   88.667
LGA    D    49_D      D    49_D     1.087     0    0.014   0.127     1.928   85.952   81.548
LGA    N    50_D      N    50_D     0.724     0    0.044   0.164     1.275   88.214   89.345
LGA    D    51_D      D    51_D     0.844     0    0.015   0.060     1.449   85.952   89.405
LGA    L    52_D      L    52_D     1.667     0    0.042   0.081     2.315   72.976   71.905
LGA    C    53_D      C    53_D     2.066     0    0.035   0.710     4.299   66.786   62.857
LGA    Y    54_D      Y    54_D     2.413     0    0.062   1.275     7.656   59.167   43.849
LGA    F    55_D      F    55_D     3.232     0    0.515   1.620    11.364   53.571   25.801
LGA    I    56_D      I    56_D     3.500     0    0.416   1.092     6.754   51.905   42.857
LGA    G    57_D      G    57_D     2.680     0    0.492   0.492     3.635   51.905   51.905
LGA    T    58_D      T    58_D     2.887     0    0.217   1.032     5.501   51.905   43.333
LGA    H    59_D      H    59_D     7.017     0    0.157   1.274     9.091   13.214   10.810
LGA    D    60_D      D    60_D     6.855     0    0.512   1.539     9.782    9.167    7.321
LGA    K    61_D      K    61_D    12.526     0    0.142   1.224    18.958    0.000    0.000
LGA    C    62_D      C    62_D    12.759     0    0.377   0.683    14.235    0.000    0.000
LGA    E    63_D      E    63_D    15.728     0    0.528   0.616    18.204    0.000    0.000
LGA    N    64_D      N    64_D    14.642     0    0.193   0.776    16.774    0.000    0.000
LGA    P    65_D      P    65_D    17.722     0    0.660   0.602    18.739    0.000    0.000
LGA    K    66_D      K    66_D    18.857     0    0.591   1.291    21.876    0.000    0.000
LGA    E    67_D      E    67_D    26.319     0    0.626   1.281    32.148    0.000    0.000
LGA    Q    68_D      Q    68_D    27.437     0    0.597   1.525    34.179    0.000    0.000
LGA    W    69_D      W    69_D    26.791     0    0.619   0.874    28.980    0.000    0.000
LGA    V    70_D      V    70_D    33.028     0    0.055   0.048    37.265    0.000    0.000
LGA    A    71_D      A    71_D    36.952     0    0.018   0.031    38.038    0.000    0.000
LGA    N    72_D      N    72_D    31.390     0    0.111   0.111    32.872    0.000    0.000
LGA    Y    73_D      Y    73_D    31.717     0    0.051   1.336    35.554    0.000    0.000
LGA    Q    74_D      Q    74_D    38.874     0    0.047   1.052    45.779    0.000    0.000
LGA    N    75_D      N    75_D    38.122     0    0.037   0.188    40.887    0.000    0.000
LGA    L    76_D      L    76_D    33.411     0    0.031   0.666    35.551    0.000    0.000
LGA    N    77_D      N    77_D    38.792     0    0.083   0.885    42.505    0.000    0.000
LGA    N    78_D      N    78_D    42.525     0    0.099   0.121    47.121    0.000    0.000
LGA    V    79_D      V    79_D    37.461     0    0.072   0.827    38.810    0.000    0.000
LGA    V    80_D      V    80_D    36.531     0    0.629   0.886    39.732    0.000    0.000
LGA    F    81_D      F    81_D    39.950     0    0.560   0.657    43.592    0.000    0.000
LGA    T    82_D      T    82_D    46.698     0    0.644   0.542    48.128    0.000    0.000
LGA    N    83_D      N    83_D    48.515     0    0.266   0.847    52.289    0.000    0.000
LGA    K    84_D      K    84_D    51.469     0    0.591   1.005    56.311    0.000    0.000
LGA    E    85_D      E    85_D    47.702     0    0.600   0.703    49.883    0.000    0.000
LGA    L    86_D      L    86_D    43.454     0    0.623   1.256    44.816    0.000    0.000
LGA    E    87_D      E    87_D    47.937     0    0.618   0.921    55.339    0.000    0.000
LGA    D    88_D      D    88_D    47.099     0    0.416   0.413    52.354    0.000    0.000
LGA    I    89_D      I    89_D    40.057     0    0.165   1.217    42.658    0.000    0.000
LGA    Y    90_D      Y    90_D    40.281     0    0.560   1.303    43.302    0.000    0.000
LGA    D    91_D      D    91_D    45.136     0    0.596   1.237    46.506    0.000    0.000
LGA    L    92_D      L    92_D    44.120     0    0.022   0.179    48.705    0.000    0.000
LGA    S    93_D      S    93_D    37.658     0    0.473   0.461    40.143    0.000    0.000
LGA    N    94_D      N    94_D    36.378     0    0.197   1.128    40.467    0.000    0.000
LGA    K    95_D      K    95_D    35.899     0    0.608   0.970    37.812    0.000    0.000
LGA    E    96_D      E    96_D    34.939     0    0.042   1.299    40.835    0.000    0.000
LGA    E    97_D      E    97_D    27.716     0    0.028   0.983    30.144    0.000    0.000
LGA    T    98_D      T    98_D    29.388     0    0.030   0.096    31.079    0.000    0.000
LGA    K    99_D      K    99_D    35.225     0    0.010   0.837    45.141    0.000    0.000
LGA    E   100_D      E   100_D    31.968     0    0.009   1.360    32.818    0.000    0.000
LGA    V   101_D      V   101_D    25.975     0    0.059   0.819    28.013    0.000    0.000
LGA    L   102_D      L   102_D    30.523     0    0.018   0.319    34.332    0.000    0.000
LGA    K   103_D      K   103_D    34.937     0    0.022   0.468    44.490    0.000    0.000
LGA    K   104_D      K   104_D    29.731     0    0.011   0.494    31.301    0.000    0.000
LGA    F   105_D      F   105_D    26.473     0    0.027   1.416    28.511    0.000    0.000
LGA    K   106_D      K   106_D    33.065     0    0.043   0.806    43.911    0.000    0.000
LGA    E   107_D      E   107_D    34.793     0    0.027   1.336    40.618    0.000    0.000
LGA    K   108_D      K   108_D    28.348     0    0.020   1.200    30.267    0.000    0.000
LGA    V   109_D      V   109_D    28.468     0    0.035   0.053    30.842    0.000    0.000
LGA    N   110_D      N   110_D    35.571     0    0.013   0.060    40.491    0.000    0.000
LGA    Q   111_D      Q   111_D    34.788     0    0.034   0.916    35.021    0.000    0.000
LGA    F   112_D      F   112_D    28.919     0    0.015   1.448    30.657    0.000    0.000
LGA    Y   113_D      Y   113_D    32.474     0    0.034   0.891    34.851    0.000    0.000
LGA    R   114_D      R   114_D    38.548     0    0.047   1.323    43.992    0.000    0.000
LGA    H   115_D      H   115_D    35.204     0    0.016   0.722    35.804    0.000    0.000
LGA    A   116_D      A   116_D    31.293     0    0.033   0.043    33.645    0.000    0.000
LGA    F   117_D      F   117_D    37.081     0    0.071   1.222    40.252    0.000    0.000
LGA    D   118_D      D   118_D    41.896     0    0.038   1.330    46.161    0.000    0.000
LGA    I   119_D      I   119_D    37.730     0    0.013   0.076    38.906    0.000    0.000
LGA    I   120_D      I   120_D    37.263     0    0.062   0.706    40.860    0.000    0.000
LGA    N   121_D      N   121_D    44.806     0    0.042   0.081    47.258    0.000    0.000
LGA    K   122_D      K   122_D    46.642     0    0.046   0.738    50.175    0.000    0.000
LGA    Y   123_D      Y   123_D    42.439     0    0.123   1.306    44.702    0.000    0.000
LGA    G   124_D      G   124_D    41.263     0    0.172   0.172    41.906    0.000    0.000
LGA    L   125_D      L   125_D    40.883     0    0.269   1.462    42.046    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00    1059   1059  100.00               124
SUMMARY(RMSD_GDC):    15.036         15.072                 15.811           36.351   31.917

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     57    1.73    39.919    39.089     3.118

LGA_LOCAL      RMSD:   1.728  Number of atoms:   57  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  26.024  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  15.036  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.946125 * X  +   0.012138 * Y  +  -0.323574 * Z  +  15.279437
  Y_new =  -0.125713 * X  +   0.907141 * Y  +   0.401612 * Z  + -32.293221
  Z_new =   0.298402 * X  +   0.420652 * Y  +  -0.856743 * Z  +  60.245434 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.009495 -0.303018  2.685179   [DEG: -172.4314  -17.3617  153.8494 ]
ZXZ: -2.463392  2.599716  0.616993   [DEG: -141.1420  148.9528   35.3511 ]
 
# END of job
