
#######################################################
#                                                     #
#                        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  132 ( 1136),  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:    61       2_D - 62_D        4.62    23.95
  LCS_AVERAGE:     41.17

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      93_D - 125_D       1.96    23.76
  LCS_AVERAGE:     19.65

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      94_D - 118_D       0.93    23.59
  LCS_AVERAGE:     13.58

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      3   25   61      0    3    4    8   11   18   24   28   32   36   45   52   56   59   59   59   59   59   59   61 
LCS_GDT     K     3_D     K     3_D     22   25   61     10   19   22   24   27   29   36   42   45   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     E     4_D     E     4_D     22   25   61     11   19   22   24   27   33   38   42   45   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     I     5_D     I     5_D     22   25   61     11   19   22   24   27   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     A     6_D     A     6_D     22   25   61     11   19   22   24   27   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     K     7_D     K     7_D     22   25   61     11   19   22   24   27   33   38   42   45   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     E     8_D     E     8_D     22   25   61     11   19   22   24   27   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     I     9_D     I     9_D     22   25   61     11   19   22   24   27   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     F    10_D     F    10_D     22   25   61     11   19   22   24   27   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     N    11_D     N    11_D     22   25   61     11   19   22   24   27   33   38   42   45   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     M    12_D     M    12_D     22   25   61     11   19   22   24   27   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     M    13_D     M    13_D     22   25   61     11   19   22   24   27   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     F    14_D     F    14_D     22   25   61     11   19   22   24   27   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     M    15_D     M    15_D     22   25   61     10   19   22   24   27   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     L    16_D     L    16_D     22   25   61     10   19   22   24   27   31   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     L    17_D     L    17_D     22   25   61     10   19   22   24   27   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     W    18_D     W    18_D     22   25   61     10   19   22   24   27   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     R    19_D     R    19_D     22   25   61     10   19   22   24   27   28   36   41   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     V    20_D     V    20_D     22   25   61     10   19   22   24   27   31   36   40   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     F    21_D     F    21_D     22   25   61      4   19   22   24   27   31   37   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     R    22_D     R    22_D     22   25   61      4   13   21   24   27   28   36   41   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     S    23_D     S    23_D     22   27   61      5    9   20   24   27   28   32   33   38   43   47   52   54   59   59   59   59   59   59   61 
LCS_GDT     Q    24_D     Q    24_D     22   29   61      6   17   22   24   27   29   33   37   43   47   51   54   56   59   59   59   59   59   59   61 
LCS_GDT     R    25_D     R    25_D     22   29   61      3    4   22   24   27   31   36   40   45   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     I    26_D     I    26_D      4   29   61      5   14   17   22   25   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     D    27_D     D    27_D      4   29   61      3   14   17   21   26   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     A    28_D     A    28_D      4   29   61      3    9   13   18   26   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     N    29_D     N    29_D      4   29   61      3    3   10   17   26   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     N    30_D     N    30_D     20   29   61      3   12   19   23   26   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     V    31_D     V    31_D     20   29   61      8   18   19   23   26   31   35   40   46   49   53   54   56   59   59   59   59   59   59   60 
LCS_GDT     E    32_D     E    32_D     20   29   61      9   18   19   23   26   31   35   40   45   49   51   54   56   59   59   59   59   59   59   60 
LCS_GDT     L    33_D     L    33_D     20   29   61      8   18   19   23   26   31   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     I    34_D     I    34_D     20   29   61      8   18   19   23   26   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     K    35_D     K    35_D     20   29   61      8   18   19   23   26   31   35   40   45   49   53   54   56   59   59   59   59   59   59   60 
LCS_GDT     F    36_D     F    36_D     20   29   61      8   18   19   23   26   31   35   40   46   49   53   54   56   59   59   59   59   59   59   60 
LCS_GDT     N    37_D     N    37_D     20   29   61      8   18   19   23   26   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     I    38_D     I    38_D     20   29   61      8   18   19   23   26   31   38   42   46   49   53   54   56   59   59   59   59   59   59   60 
LCS_GDT     R    39_D     R    39_D     20   29   61      9   18   19   23   26   31   35   40   46   49   53   54   56   59   59   59   59   59   59   60 
LCS_GDT     V    40_D     V    40_D     20   29   61      9   18   19   23   26   31   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     L    41_D     L    41_D     20   29   61      9   18   19   23   26   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     D    42_D     D    42_D     20   29   61      9   18   19   23   26   33   38   42   46   49   53   54   56   59   59   59   59   59   59   60 
LCS_GDT     W    43_D     W    43_D     20   29   61      9   18   19   23   26   33   38   42   46   49   53   54   56   59   59   59   59   59   59   60 
LCS_GDT     I    44_D     I    44_D     20   29   61      9   18   19   23   26   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     M    45_D     M    45_D     20   29   61      9   18   19   23   26   33   38   42   46   49   53   54   56   59   59   59   59   59   59   60 
LCS_GDT     A    46_D     A    46_D     20   29   61      9   18   19   23   26   33   38   42   46   49   53   54   56   59   59   59   59   59   59   60 
LCS_GDT     E    47_D     E    47_D     20   29   61      9   18   19   23   26   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     A    48_D     A    48_D     20   29   61      9   18   19   23   26   31   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     D    49_D     D    49_D     20   29   61      9   16   19   23   26   31   38   42   46   49   53   54   56   59   59   59   59   59   59   60 
LCS_GDT     N    50_D     N    50_D     20   29   61      4   12   17   20   24   33   38   42   46   49   53   54   56   59   59   59   59   59   59   60 
LCS_GDT     D    51_D     D    51_D     17   29   61      4    6   12   18   26   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     L    52_D     L    52_D      6   29   61      4    6   10   17   24   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     C    53_D     C    53_D      6   26   61      4    6   18   24   27   30   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     Y    54_D     Y    54_D      6   26   61      4   15   22   24   27   30   35   41   45   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     F    55_D     F    55_D      6   26   61      4    8   22   24   27   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     I    56_D     I    56_D      5   20   61      3    4   11   17   26   33   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     G    57_D     G    57_D      3   20   61      3    3    8   16   23   31   35   40   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     T    58_D     T    58_D      3    4   61      3    3    3   19   27   29   38   42   46   49   53   54   56   59   59   59   59   59   59   61 
LCS_GDT     H    59_D     H    59_D      3    5   61      3    3    3   18   19   28   31   33   36   44   49   53   56   59   59   59   59   59   59   61 
LCS_GDT     D    60_D     D    60_D      4    5   61      3   13   17   18   24   28   29   33   36   42   48   52   56   59   59   59   59   59   59   61 
LCS_GDT     K    61_D     K    61_D      4    5   61      3    4    5    5    6    9   11   17   21   31   35   35   37   38   49   49   50   56   59   60 
LCS_GDT     C    62_D     C    62_D      4    5   61      3    4    5    5    6   12   17   19   21   23   25   29   31   34   37   45   48   49   52   56 
LCS_GDT     E    63_D     E    63_D      4   18   25      3    4    5    5    8   13   17   18   21   23   25   29   31   34   39   45   48   49   52   57 
LCS_GDT     N    64_D     N    64_D     17   18   25      3   10   16   17   17   17   19   21   21   24   26   28   29   33   39   45   48   53   59   61 
LCS_GDT     P    65_D     P    65_D     17   18   25      3   13   16   17   17   17   19   21   21   24   26   29   34   36   39   45   50   55   59   61 
LCS_GDT     K    66_D     K    66_D     17   18   25      3   13   16   17   17   17   19   28   32   34   34   35   36   39   41   45   50   55   59   61 
LCS_GDT     E    67_D     E    67_D     17   18   25      4    9   16   17   17   23   26   28   32   34   34   35   36   39   41   45   50   55   59   61 
LCS_GDT     Q    68_D     Q    68_D     17   18   25      4   11   16   17   17   17   26   28   32   34   34   35   36   39   41   45   50   55   59   61 
LCS_GDT     W    69_D     W    69_D     17   18   25      4   13   16   17   17   23   26   28   32   34   34   35   36   39   41   45   50   55   59   61 
LCS_GDT     V    70_D     V    70_D     17   18   25      4   13   16   17   21   23   26   28   32   34   34   35   36   39   41   45   50   55   59   61 
LCS_GDT     A    71_D     A    71_D     17   18   25      4   13   16   17   18   23   26   28   32   34   34   35   36   39   41   45   50   55   59   61 
LCS_GDT     N    72_D     N    72_D     17   18   25      6   13   16   17   17   17   19   28   30   34   34   35   36   39   41   45   50   55   59   61 
LCS_GDT     Y    73_D     Y    73_D     17   18   25      7   13   16   17   17   17   21   28   32   34   34   35   36   39   41   45   50   55   59   61 
LCS_GDT     Q    74_D     Q    74_D     17   18   25      7   13   16   17   17   17   19   21   21   30   33   35   36   39   41   45   50   55   59   61 
LCS_GDT     N    75_D     N    75_D     17   18   25      7   13   16   17   17   17   19   21   21   24   26   31   34   39   41   43   47   55   59   61 
LCS_GDT     L    76_D     L    76_D     17   18   40      7   13   16   17   17   17   19   21   21   24   26   30   37   40   44   49   49   53   59   61 
LCS_GDT     N    77_D     N    77_D     17   18   42      7   13   16   17   17   17   19   21   26   30   35   37   38   41   46   49   49   53   59   61 
LCS_GDT     N    78_D     N    78_D     17   18   42      7   13   16   17   17   17   19   21   21   24   31   35   36   41   46   49   49   50   58   61 
LCS_GDT     V    79_D     V    79_D     17   18   44      7   13   16   17   17   17   19   21   21   26   31   36   37   41   46   49   49   50   52   56 
LCS_GDT     V    80_D     V    80_D     17   18   46      3    8   15   17   17   17   20   26   29   33   35   37   39   41   46   49   49   50   52   56 
LCS_GDT     F    81_D     F    81_D      4   18   46      3    4    4    4    6   14   18   21   21   24   29   32   37   41   46   49   49   50   51   56 
LCS_GDT     T    82_D     T    82_D      4    4   46      3    4    4    4    5    6    8   11   17   24   26   31   37   41   46   49   49   50   51   52 
LCS_GDT     N    83_D     N    83_D      4    4   46      3    4    4    4    4    6   11   17   18   29   35   37   38   41   46   49   49   50   51   56 
LCS_GDT     K    84_D     K    84_D      3    4   46      3    4    4    4    4    6    9   11   15   18   25   31   35   41   46   49   49   50   51   56 
LCS_GDT     E    85_D     E    85_D      3    4   46      3    4    4    4    4    5    6    9   16   16   22   30   35   41   46   49   49   50   51   52 
LCS_GDT     L    86_D     L    86_D      4    6   46      3    3    4    4    6    9   15   20   26   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     E    87_D     E    87_D      4    6   46      3    3    4    4    6   11   20   26   29   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     D    88_D     D    88_D      4    6   46      3    3    4    4    6   11   21   26   29   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     I    89_D     I    89_D      4    6   46      3    3    4    4    6    9   22   29   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     Y    90_D     Y    90_D      3    6   46      3    5    7   15   19   26   29   31   32   32   34   37   39   41   46   49   49   50   51   52 
LCS_GDT     D    91_D     D    91_D      3    6   46      3    5    5    6    8   13   16   23   26   30   33   36   39   41   46   49   49   50   50   52 
LCS_GDT     L    92_D     L    92_D      3    4   46      3    5    5    6    8    9   12   18   26   30   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     S    93_D     S    93_D      3   33   46      3    3    4    6   11   15   20   26   31   32   34   35   37   41   46   49   49   50   51   52 
LCS_GDT     N    94_D     N    94_D     25   33   46     13   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     K    95_D     K    95_D     25   33   46     13   20   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     E    96_D     E    96_D     25   33   46     13   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     E    97_D     E    97_D     25   33   46     13   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   55 
LCS_GDT     T    98_D     T    98_D     25   33   46     12   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     K    99_D     K    99_D     25   33   46     13   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     E   100_D     E   100_D     25   33   46     13   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   52   56 
LCS_GDT     V   101_D     V   101_D     25   33   46     13   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   51   58   61 
LCS_GDT     L   102_D     L   102_D     25   33   46     13   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   56 
LCS_GDT     K   103_D     K   103_D     25   33   46     13   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   56 
LCS_GDT     K   104_D     K   104_D     25   33   46     13   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   52   56 
LCS_GDT     F   105_D     F   105_D     25   33   46     13   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   52   56 
LCS_GDT     K   106_D     K   106_D     25   33   46     13   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   56 
LCS_GDT     E   107_D     E   107_D     25   33   46     13   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     K   108_D     K   108_D     25   33   46     11   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   56 
LCS_GDT     V   109_D     V   109_D     25   33   46      9   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   56 
LCS_GDT     N   110_D     N   110_D     25   33   46     12   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     Q   111_D     Q   111_D     25   33   46      9   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     F   112_D     F   112_D     25   33   46      9   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     Y   113_D     Y   113_D     25   33   46      9   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     R   114_D     R   114_D     25   33   46      9   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     H   115_D     H   115_D     25   33   46      7   19   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     A   116_D     A   116_D     25   33   46      7   17   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     F   117_D     F   117_D     25   33   46      7   21   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     D   118_D     D   118_D     25   33   46      7   16   24   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     I   119_D     I   119_D     24   33   46      7   16   23   29   29   31   32   32   32   32   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     I   120_D     I   120_D     22   33   46      7   13   23   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     N   121_D     N   121_D     22   33   46      7   16   23   29   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     K   122_D     K   122_D     20   33   46      7   11   19   24   29   31   32   32   32   32   35   37   39   41   46   49   49   50   51   52 
LCS_GDT     Y   123_D     Y   123_D     16   33   46      6   10   13   17   23   27   32   32   32   32   34   34   35   40   41   45   48   50   51   52 
LCS_GDT     G   124_D     G   124_D      4   33   46      3    4   19   29   29   31   32   32   32   32   34   37   39   41   46   49   49   50   51   52 
LCS_GDT     L   125_D     L   125_D      4   33   46      3    3    8   25   29   31   32   32   32   33   35   37   39   41   46   49   49   50   51   52 
LCS_AVERAGE  LCS_A:  24.80  (  13.58   19.65   41.17 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     13     21     24     29     29     33     38     42     46     49     53     54     56     59     59     59     59     59     59     61 
GDT PERCENT_AT  10.48  16.94  19.35  23.39  23.39  26.61  30.65  33.87  37.10  39.52  42.74  43.55  45.16  47.58  47.58  47.58  47.58  47.58  47.58  49.19
GDT RMS_LOCAL    0.35   0.64   0.81   1.28   1.26   2.14   2.34   2.52   2.90   3.02   3.25   3.32   3.54   3.90   3.90   3.90   3.90   3.90   3.90   7.07
GDT RMS_ALL_AT  22.97  23.48  23.51  23.77  23.86  24.12  23.95  24.03  24.59  24.31  24.38  24.48  24.49  24.35  24.35  24.35  24.35  24.35  24.35  18.04

# Checking swapping
#   possible swapping detected:  E     8_D      E     8_D
#   possible swapping detected:  F    10_D      F    10_D
#   possible swapping detected:  F    14_D      F    14_D
#   possible swapping detected:  F    21_D      F    21_D
#   possible swapping detected:  E    47_D      E    47_D
#   possible swapping detected:  D    51_D      D    51_D
#   possible swapping detected:  Y    73_D      Y    73_D
#   possible swapping detected:  F    81_D      F    81_D
#   possible swapping detected:  E    87_D      E    87_D
#   possible swapping detected:  Y    90_D      Y    90_D
#   possible swapping detected:  F   105_D      F   105_D
#   possible swapping detected:  E   107_D      E   107_D
#   possible swapping detected:  F   112_D      F   112_D
#   possible swapping detected:  Y   113_D      Y   113_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D     8.505     0    0.372   1.134    10.991    5.833    6.012
LGA    K     3_D      K     3_D     3.628     0    0.627   1.102     9.210   48.690   32.275
LGA    E     4_D      E     4_D     2.437     0    0.039   1.034     7.381   66.905   45.873
LGA    I     5_D      I     5_D     0.574     0    0.031   1.196     3.748   90.476   73.333
LGA    A     6_D      A     6_D     2.282     0    0.019   0.033     3.257   66.786   63.429
LGA    K     7_D      K     7_D     2.598     0    0.026   0.720     7.854   62.857   39.259
LGA    E     8_D      E     8_D     1.416     0    0.080   1.079     5.473   83.810   63.545
LGA    I     9_D      I     9_D     0.856     0    0.033   1.312     4.878   85.952   69.762
LGA    F    10_D      F    10_D     1.879     0    0.047   0.251     2.530   75.000   70.000
LGA    N    11_D      N    11_D     1.800     0    0.021   0.604     3.535   77.143   66.369
LGA    M    12_D      M    12_D     1.585     0    0.046   0.946     2.153   77.143   77.262
LGA    M    13_D      M    13_D     1.652     0    0.061   1.148     3.329   77.143   73.214
LGA    F    14_D      F    14_D     1.069     0    0.068   1.266     8.543   81.429   44.329
LGA    M    15_D      M    15_D     2.858     0    0.055   1.165     5.066   55.833   45.179
LGA    L    16_D      L    16_D     3.857     0    0.082   1.233     6.015   43.452   35.714
LGA    L    17_D      L    17_D     3.006     0    0.024   1.346     4.926   53.571   53.095
LGA    W    18_D      W    18_D     2.501     0    0.050   0.415     3.895   52.143   63.912
LGA    R    19_D      R    19_D     5.177     0    0.051   0.598     7.190   25.476   19.610
LGA    V    20_D      V    20_D     5.833     0    0.031   0.095     6.683   21.548   19.728
LGA    F    21_D      F    21_D     4.465     0    0.025   0.857     5.107   31.548   39.784
LGA    R    22_D      R    22_D     5.569     0    0.103   1.092     7.489   19.048   21.645
LGA    S    23_D      S    23_D     8.192     0    0.250   0.662     9.757    6.429    5.159
LGA    Q    24_D      Q    24_D     7.615     0    0.576   1.224     9.972    9.286    6.455
LGA    R    25_D      R    25_D     6.557     0    0.197   1.001    14.222   25.238    9.957
LGA    I    26_D      I    26_D     1.535     0    0.197   0.694     4.119   57.738   57.976
LGA    D    27_D      D    27_D     2.660     0    0.104   0.393     5.068   69.048   51.786
LGA    A    28_D      A    28_D     0.929     0    0.134   0.196     1.476   83.690   85.048
LGA    N    29_D      N    29_D     2.253     0    0.681   1.104     5.560   66.905   52.440
LGA    N    30_D      N    30_D     2.151     0    0.335   0.820     2.807   64.881   64.881
LGA    V    31_D      V    31_D     5.685     0    0.025   0.118     8.647   23.929   16.122
LGA    E    32_D      E    32_D     6.987     0    0.045   1.129    12.781   18.333    9.206
LGA    L    33_D      L    33_D     3.798     0    0.019   1.002     4.665   47.262   48.333
LGA    I    34_D      I    34_D     2.835     0    0.021   1.057     6.569   50.238   36.845
LGA    K    35_D      K    35_D     6.251     0    0.025   0.792    12.312   21.548   10.370
LGA    F    36_D      F    36_D     5.654     0    0.037   1.389     6.393   29.286   27.706
LGA    N    37_D      N    37_D     2.014     0    0.120   0.878     5.246   63.095   54.345
LGA    I    38_D      I    38_D     3.855     0    0.029   0.652     5.941   41.905   33.452
LGA    R    39_D      R    39_D     5.106     0    0.085   1.510     8.768   34.524   16.407
LGA    V    40_D      V    40_D     3.028     0    0.018   1.138     4.239   59.762   55.850
LGA    L    41_D      L    41_D     1.371     0    0.061   0.959     6.230   75.000   57.083
LGA    D    42_D      D    42_D     3.003     0    0.048   0.735     6.976   59.167   41.845
LGA    W    43_D      W    43_D     2.228     0    0.040   0.451     5.881   73.095   47.109
LGA    I    44_D      I    44_D     1.806     0    0.043   1.248     5.283   72.976   62.679
LGA    M    45_D      M    45_D     2.611     0    0.043   1.177     7.839   62.976   42.560
LGA    A    46_D      A    46_D     2.043     0    0.036   0.043     2.577   75.119   71.524
LGA    E    47_D      E    47_D     1.356     0    0.049   0.573     5.394   77.381   55.608
LGA    A    48_D      A    48_D     3.403     0    0.048   0.046     3.985   50.119   48.762
LGA    D    49_D      D    49_D     3.466     0    0.024   1.181     5.743   48.333   40.298
LGA    N    50_D      N    50_D     2.637     0    0.041   1.119     3.390   57.143   58.155
LGA    D    51_D      D    51_D     2.887     0    0.111   1.007     4.077   60.952   54.762
LGA    L    52_D      L    52_D     1.342     0    0.023   0.296     5.142   79.286   60.357
LGA    C    53_D      C    53_D     3.429     0    0.039   0.696     6.745   47.381   40.000
LGA    Y    54_D      Y    54_D     4.472     0    0.040   1.420    12.415   37.262   17.857
LGA    F    55_D      F    55_D     2.595     0    0.520   0.673     3.813   59.167   54.762
LGA    I    56_D      I    56_D     2.832     0    0.521   0.476     3.255   55.357   57.202
LGA    G    57_D      G    57_D     4.312     0    0.246   0.246     4.800   40.714   40.714
LGA    T    58_D      T    58_D     3.242     0    0.180   0.177     7.490   44.167   38.231
LGA    H    59_D      H    59_D     6.986     0    0.351   1.147    11.485   12.381    7.095
LGA    D    60_D      D    60_D     8.786     0    0.533   0.502    10.955    3.214    6.310
LGA    K    61_D      K    61_D    13.399     0    0.465   0.959    15.261    0.000    0.000
LGA    C    62_D      C    62_D    16.928     0    0.036   0.817    18.060    0.000    0.000
LGA    E    63_D      E    63_D    18.899     0    0.577   1.268    23.882    0.000    0.000
LGA    N    64_D      N    64_D    21.608     0    0.592   0.596    24.937    0.000    0.000
LGA    P    65_D      P    65_D    21.974     0    0.178   0.482    22.738    0.000    0.000
LGA    K    66_D      K    66_D    21.264     0    0.076   0.566    23.927    0.000    0.000
LGA    E    67_D      E    67_D    26.313     0    0.067   1.246    30.615    0.000    0.000
LGA    Q    68_D      Q    68_D    27.507     0    0.035   1.019    30.576    0.000    0.000
LGA    W    69_D      W    69_D    24.761     0    0.034   1.433    26.335    0.000    0.000
LGA    V    70_D      V    70_D    27.324     0    0.051   0.121    29.425    0.000    0.000
LGA    A    71_D      A    71_D    30.908     0    0.020   0.032    31.693    0.000    0.000
LGA    N    72_D      N    72_D    28.721     0    0.045   0.487    29.662    0.000    0.000
LGA    Y    73_D      Y    73_D    27.515     0    0.017   0.489    29.163    0.000    0.000
LGA    Q    74_D      Q    74_D    31.309     0    0.054   0.911    33.764    0.000    0.000
LGA    N    75_D      N    75_D    32.860     0    0.064   1.014    34.753    0.000    0.000
LGA    L    76_D      L    76_D    29.683     0    0.022   1.339    30.517    0.000    0.000
LGA    N    77_D      N    77_D    30.896     0    0.029   1.102    35.000    0.000    0.000
LGA    N    78_D      N    78_D    34.979     0    0.049   0.831    38.127    0.000    0.000
LGA    V    79_D      V    79_D    33.675     0    0.027   1.289    34.336    0.000    0.000
LGA    V    80_D      V    80_D    31.132     0    0.586   1.396    33.561    0.000    0.000
LGA    F    81_D      F    81_D    35.793     0    0.188   0.334    39.410    0.000    0.000
LGA    T    82_D      T    82_D    35.063     0    0.034   1.090    35.767    0.000    0.000
LGA    N    83_D      N    83_D    32.978     0    0.405   1.175    34.231    0.000    0.000
LGA    K    84_D      K    84_D    36.503     0    0.541   0.582    41.401    0.000    0.000
LGA    E    85_D      E    85_D    37.030     0    0.571   1.361    42.147    0.000    0.000
LGA    L    86_D      L    86_D    32.007     0    0.631   1.360    33.340    0.000    0.000
LGA    E    87_D      E    87_D    30.173     0    0.589   1.271    32.599    0.000    0.000
LGA    D    88_D      D    88_D    30.124     0    0.350   0.369    32.114    0.000    0.000
LGA    I    89_D      I    89_D    29.866     0    0.138   1.416    33.338    0.000    0.000
LGA    Y    90_D      Y    90_D    27.163     0    0.575   1.265    29.463    0.000    0.000
LGA    D    91_D      D    91_D    26.767     0    0.511   1.265    27.586    0.000    0.000
LGA    L    92_D      L    92_D    30.285     0    0.638   1.059    34.283    0.000    0.000
LGA    S    93_D      S    93_D    29.012     0    0.623   0.790    29.402    0.000    0.000
LGA    N    94_D      N    94_D    30.509     0    0.487   1.170    32.543    0.000    0.000
LGA    K    95_D      K    95_D    35.240     0    0.042   0.586    45.885    0.000    0.000
LGA    E    96_D      E    96_D    36.489     0    0.026   1.040    44.700    0.000    0.000
LGA    E    97_D      E    97_D    30.838     0    0.037   0.757    32.552    0.000    0.000
LGA    T    98_D      T    98_D    29.561     0    0.037   1.053    31.345    0.000    0.000
LGA    K    99_D      K    99_D    35.274     0    0.045   1.200    42.655    0.000    0.000
LGA    E   100_D      E   100_D    35.197     0    0.035   1.057    39.936    0.000    0.000
LGA    V   101_D      V   101_D    29.569     0    0.064   0.891    31.276    0.000    0.000
LGA    L   102_D      L   102_D    31.240     0    0.059   1.408    33.241    0.000    0.000
LGA    K   103_D      K   103_D    36.996     0    0.045   0.331    47.404    0.000    0.000
LGA    K   104_D      K   104_D    34.362     0    0.054   0.696    34.987    0.000    0.000
LGA    F   105_D      F   105_D    29.800     0    0.040   1.410    31.375    0.000    0.000
LGA    K   106_D      K   106_D    34.482     0    0.038   1.304    39.565    0.000    0.000
LGA    E   107_D      E   107_D    38.112     0    0.038   1.028    43.933    0.000    0.000
LGA    K   108_D      K   108_D    32.965     0    0.030   0.584    35.571    0.000    0.000
LGA    V   109_D      V   109_D    30.672     0    0.056   1.245    32.831    0.000    0.000
LGA    N   110_D      N   110_D    37.283     0    0.038   0.983    43.304    0.000    0.000
LGA    Q   111_D      Q   111_D    38.118     0    0.039   1.101    40.188    0.000    0.000
LGA    F   112_D      F   112_D    32.323     0    0.049   0.134    34.075    0.000    0.000
LGA    Y   113_D      Y   113_D    34.328     0    0.058   0.721    36.597    0.000    0.000
LGA    R   114_D      R   114_D    40.728     0    0.023   0.981    48.667    0.000    0.000
LGA    H   115_D      H   115_D    38.530     0    0.074   1.311    39.989    0.000    0.000
LGA    A   116_D      A   116_D    33.467     0    0.036   0.057    35.033    0.000    0.000
LGA    F   117_D      F   117_D    37.946     0    0.066   0.101    40.526    0.000    0.000
LGA    D   118_D      D   118_D    43.087     0    0.042   0.098    46.942    0.000    0.000
LGA    I   119_D      I   119_D    38.886     0    0.034   1.116    39.741    0.000    0.000
LGA    I   120_D      I   120_D    37.050     0    0.058   0.779    39.726    0.000    0.000
LGA    N   121_D      N   121_D    44.002     0    0.026   1.140    47.458    0.000    0.000
LGA    K   122_D      K   122_D    46.276     0    0.051   1.036    52.951    0.000    0.000
LGA    Y   123_D      Y   123_D    41.035     0    0.180   1.509    42.388    0.000    0.000
LGA    G   124_D      G   124_D    39.020     0    0.211   0.211    40.941    0.000    0.000
LGA    L   125_D      L   125_D    45.425     0    0.618   0.982    48.136    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):    16.066         16.128                 16.552           24.726   20.714

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     42    2.52    30.444    28.545     1.606

LGA_LOCAL      RMSD:   2.516  Number of atoms:   42  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.035  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  16.066  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.414732 * X  +   0.909773 * Y  +  -0.017619 * Z  + -31.765003
  Y_new =   0.908539 * X  +  -0.415089 * Y  +  -0.047518 * Z  + -57.666641
  Z_new =  -0.050544 * X  +   0.003700 * Y  +  -0.998715 * Z  + 109.753456 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.142565  0.050566  3.137888   [DEG:   65.4641    2.8972  179.7878 ]
ZXZ: -0.355070  3.090892 -1.497729   [DEG:  -20.3440  177.0950  -85.8135 ]
 
# END of job
