
#######################################################
#                                                     #
#                        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  142 ( 1210),  selected  127 , name one
# Molecule2: number of CA atoms  127 ( 1099),  selected  127 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:C  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    59      78_C - 138_C       4.94    17.99
  LCS_AVERAGE:     39.89

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    35      80_C - 114_C       1.98    13.01
  LCS_AVERAGE:     19.30

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      83_C - 113_C       0.99    13.02
  LCS_AVERAGE:     15.08

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  127
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     P     2_B     P     2_C     25   29   50      3   12   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     I     3_B     I     3_C     25   29   50      8   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     Q     4_B     Q     4_C     25   29   50     12   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E     5_B     E     5_C     25   29   50     11   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E     6_B     E     6_C     25   29   50     15   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     I     7_B     I     7_C     25   29   50     15   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     Q     8_B     Q     8_C     25   29   50     15   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     K     9_B     K     9_C     25   29   50     15   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     K    10_B     K    10_C     25   29   50     15   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     V    11_B     V    11_C     25   29   50     15   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     R    12_B     R    12_C     25   29   50     15   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E    13_B     E    13_C     25   29   50     15   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     L    14_B     L    14_C     25   29   50     15   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     L    15_B     L    15_C     25   29   50     15   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E    16_B     E    16_C     25   29   50     15   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     K    17_B     K    17_C     25   29   50     15   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     L    18_B     L    18_C     25   29   50     15   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     I    19_B     I    19_C     25   29   50      8   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E    20_B     E    20_C     25   29   50     10   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     Y    21_B     Y    21_C     25   29   50     15   24   28   35   42   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     L    22_B     L    22_C     25   29   50     15   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E    23_B     E    23_C     25   29   50     15   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E    24_B     E    24_C     25   29   50     15   24   28   35   43   47   51   52   54   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     L    25_B     L    25_C     25   29   50     15   24   28   35   42   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     K    26_B     K    26_C     25   29   50     15   24   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E    27_B     E    27_C     25   29   50      4    4    7   10   20   30   45   48   52   55   58   63   67   72   76   80   83   84   85   86 
LCS_GDT     K    34_B     K    34_C     19   29   50     11   18   18   19   29   40   47   49   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E    35_B     E    35_C     19   29   50     10   18   18   20   32   40   47   49   54   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     K    36_B     K    36_C     19   29   50     11   18   18   23   32   40   47   49   52   59   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     L    37_B     L    37_C     19   29   50     11   18   18   23   32   40   47   49   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E    38_B     E    38_C     19   29   50     11   18   18   23   32   40   47   49   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E    39_B     E    39_C     19   29   50     11   18   18   23   32   40   47   49   52   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     V    40_B     V    40_C     19   29   50     11   18   18   23   32   40   47   49   52   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     I    41_B     I    41_C     19   29   50     11   18   18   23   32   40   47   49   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E    42_B     E    42_C     19   29   50     11   18   18   23   32   40   47   49   53   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     G    43_B     G    43_C     19   29   50     11   18   18   23   32   40   47   49   52   58   63   69   72   75   77   80   83   84   85   86 
LCS_GDT     L    44_B     L    44_C     19   29   50     11   18   18   23   32   40   47   49   52   60   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E    45_B     E    45_C     19   29   50     11   18   18   23   32   40   47   49   52   60   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     R    46_B     R    46_C     19   29   50      5   18   18   23   32   40   47   49   52   58   63   68   71   74   76   80   83   84   85   86 
LCS_GDT     L    47_B     L    47_C     19   29   50      5   18   18   20   32   40   47   49   52   57   61   66   71   74   76   80   83   84   85   86 
LCS_GDT     K    48_B     K    48_C     19   29   50      7   18   18   19   32   40   47   49   52   58   65   69   72   74   77   80   83   84   85   86 
LCS_GDT     E    49_B     E    49_C     19   29   50      7   18   18   19   32   40   45   49   52   57   59   66   71   74   76   80   83   84   85   86 
LCS_GDT     E    50_B     E    50_C     19   29   50      4   18   18   19   27   38   44   49   52   55   59   64   67   72   76   78   81   84   85   86 
LCS_GDT     V    51_B     V    51_C     19   29   50      4   18   18   18   26   38   44   49   52   57   59   66   71   74   76   80   83   84   85   86 
LCS_GDT     D    52_B     D    52_C     19   21   50      3    3    4    9   19   20   21   40   45   54   59   63   67   72   76   80   83   84   85   86 
LCS_GDT     Q    55_B     Q    55_C      3   20   50      0    3    3    4    6   14   27   45   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     L    56_B     L    56_C      3    3   50      0    3    6    8   12   23   27   31   37   45   50   63   67   75   77   80   83   84   85   86 
LCS_GDT     N    57_B     N    57_C      4    4   50      3    4    8   14   18   24   29   31   47   52   62   68   72   75   77   80   83   84   85   86 
LCS_GDT     M    58_B     M    58_C      4    4   50      3    4    6   10   19   21   25   33   38   48   54   64   71   75   77   80   83   84   85   86 
LCS_GDT     N    59_B     N    59_C      4    4   50      3    4    4    4    4    6    8   13   29   32   40   47   53   57   64   75   76   79   84   85 
LCS_GDT     L    60_B     L    60_C      4    4   19      0    4    4    4    6   10   11   13   16   18   24   29   43   48   62   70   74   78   84   85 
LCS_GDT     I    61_B     I    61_C      3    3   19      1    3    3    3    6   10   11   13   16   20   27   36   48   56   63   70   74   78   84   85 
LCS_GDT     V    62_B     V    62_C      3    9   19      3    4    4    4    8    9   11   13   14   15   21   25   28   30   32   39   48   58   65   74 
LCS_GDT     F    63_B     F    63_C      3    9   19      3    4    4    4    8    9   11   13   14   14   15   16   17   28   30   33   35   37   38   43 
LCS_GDT     E    64_B     E    64_C      6    9   19      3    4    6    7    8    9   11   13   14   14   15   16   17   28   30   31   33   37   38   43 
LCS_GDT     G    65_B     G    65_C      6    9   19      3    6    6    7    8    9   11   13   14   14   15   16   17   21   30   31   33   37   38   43 
LCS_GDT     L    66_B     L    66_C      6    9   19      3    6    6    7    8    9   11   13   14   14   15   17   26   28   30   33   35   37   43   50 
LCS_GDT     E    67_B     E    67_C      6    9   19      3    6    6    7    8    9   11   13   14   15   18   22   26   28   30   33   40   45   54   58 
LCS_GDT     V    68_B     V    68_C      6    9   19      3    6    6    7    8    9   11   13   14   14   19   22   26   29   31   35   41   47   54   59 
LCS_GDT     D    69_B     D    69_C      6    9   19      3    6    6    7    8    9   10   13   15   19   21   23   28   36   40   43   51   57   66   70 
LCS_GDT     E    70_B     E    70_C      3    9   19      3    3    6    7    8    9   11   13   16   19   20   23   29   36   41   46   51   59   66   74 
LCS_GDT     E    71_B     E    71_C      4    8   19      3    4    5    7    8    9   11   13   16   19   20   23   29   36   41   46   52   61   67   74 
LCS_GDT     G    72_B     G    72_C      4    8   19      3    4    5    7    8    8    9   11   16   19   20   23   29   31   36   43   49   55   62   65 
LCS_GDT     R    73_B     R    73_C      4    6   38      3    6    6    6    8    9   11   13   16   19   20   22   29   31   36   43   49   55   62   67 
LCS_GDT     V    74_B     V    74_C      4    6   42      0    4    4    6    6    7   11   13   16   19   21   25   29   36   41   51   61   68   75   82 
LCS_GDT     W    75_B     W    75_C      3    3   42      3    3    3    3    4    6   11   13   15   19   25   35   40   51   57   65   70   76   84   85 
LCS_GDT     F    76_B     F    76_C      3    3   42      3    3    3    3    6    8   11   13   16   20   28   34   39   51   57   65   70   76   84   85 
LCS_GDT     I    77_B     I    77_C      3    3   42      3    3    3    4    6   10   11   14   18   23   33   40   48   56   64   70   74   78   84   85 
LCS_GDT     V    78_B     V    78_C      3    4   59      3    3    3    4    5    5    9   30   36   38   40   47   53   59   67   73   78   79   84   85 
LCS_GDT     K    79_B     K    79_C      3    4   59      3    3    3    4    6    7    9   10   15   24   37   41   49   51   54   65   71   76   84   85 
LCS_GDT     E    80_B     E    80_C      3   35   59      3    3    3    5   13   23   30   35   36   38   40   47   56   65   72   75   78   79   84   85 
LCS_GDT     M    81_B     M    81_C      3   35   59      3    3    6    8   13   31   33   35   40   47   56   64   71   75   77   80   83   84   85   86 
LCS_GDT     L    82_B     L    82_C     29   35   59      3    5    9   20   32   32   33   35   39   45   50   59   70   74   77   78   83   84   85   86 
LCS_GDT     H    83_B     H    83_C     31   35   59      4   15   27   31   32   32   33   35   41   48   56   64   71   75   77   80   83   84   85   86 
LCS_GDT     A    84_B     A    84_C     31   35   59      3   25   28   31   32   32   37   45   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     T    85_B     T    85_C     31   35   59      9   23   28   31   32   32   33   38   48   53   63   68   72   75   77   80   83   84   85   86 
LCS_GDT     T    86_B     T    86_C     31   35   59     11   25   28   31   32   32   37   44   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E    87_B     E    87_C     31   35   59      6   25   28   31   32   32   44   49   52   58   62   69   72   75   77   80   81   84   85   86 
LCS_GDT     E    88_B     E    88_C     31   35   59     19   25   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E    89_B     E    89_C     31   35   59     19   25   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     A    90_B     A    90_C     31   35   59     19   25   28   31   32   46   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     L    91_B     L    91_C     31   35   59     19   25   28   31   38   46   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E    92_B     E    92_C     31   35   59     19   25   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     N    93_B     N    93_C     31   35   59     19   25   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     M    94_B     M    94_C     31   35   59     19   25   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     D    95_B     D    95_C     31   35   59     19   25   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     K    96_B     K    96_C     31   35   59     19   25   28   34   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     F    97_B     F    97_C     31   35   59     19   25   28   34   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     L    98_B     L    98_C     31   35   59     19   25   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E    99_B     E    99_C     31   35   59     19   25   28   33   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     S   100_B     S   100_C     31   35   59     19   25   28   31   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     W   101_B     W   101_C     31   35   59     19   25   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E   102_B     E   102_C     31   35   59     19   25   28   33   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     K   103_B     K   103_C     31   35   59     19   25   28   31   42   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     V   104_B     V   104_C     31   35   59     19   25   28   31   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     F   105_B     F   105_C     31   35   59     19   25   28   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     K   106_B     K   106_C     31   35   59     19   25   28   32   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E   107_B     E   107_C     31   35   59     13   25   28   31   36   47   51   52   56   59   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     L   108_B     L   108_C     31   35   59     13   25   28   34   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     L   109_B     L   109_C     31   35   59     13   25   28   33   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E   110_B     E   110_C     31   35   59      9   24   28   31   39   46   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     Y   111_B     Y   111_C     31   35   59      8   22   28   32   43   47   51   52   56   59   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     H   112_B     H   112_C     31   35   59      8   14   27   35   43   47   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     F   113_B     F   113_C     31   35   59      6   14   28   31   38   46   51   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     E   114_B     E   114_C      4   35   59      3    5    7   14   31   42   50   52   56   61   65   69   72   75   77   80   83   84   85   86 
LCS_GDT     H   115_B     H   115_C      4    4   59      3    4   15   19   27   30   38   49   52   59   64   68   72   75   77   80   83   84   85   86 
LCS_GDT     N   116_B     N   116_C      4   19   59      3   13   15   21   25   36   47   49   52   57   61   65   69   73   77   80   83   84   85   86 
LCS_GDT     S   119_B     S   119_C      3   20   59      3    3    3    4    8   12   16   22   22   29   45   50   53   56   58   63   65   70   75   79 
LCS_GDT     P   120_B     P   120_C     17   20   59      4   12   16   18   21   24   25   30   39   43   48   51   53   56   58   60   63   65   66   69 
LCS_GDT     T   121_B     T   121_C     17   20   59      7   14   18   18   21   24   27   34   41   44   48   51   52   56   58   60   63   65   66   69 
LCS_GDT     F   122_B     F   122_C     17   20   59      9   14   18   18   21   24   28   34   41   44   48   54   57   58   64   66   70   75   82   86 
LCS_GDT     D   123_B     D   123_C     17   20   59      9   13   18   18   21   24   27   34   41   44   48   51   53   56   58   60   63   65   66   69 
LCS_GDT     F   124_B     F   124_C     17   20   59      9   14   18   18   21   24   27   34   41   44   48   51   52   54   57   60   62   63   64   69 
LCS_GDT     F   125_B     F   125_C     17   20   59      9   14   18   18   21   24   27   34   41   44   48   51   52   56   58   60   63   65   66   69 
LCS_GDT     L   126_B     L   126_C     17   20   59      9   14   18   18   21   24   27   34   41   44   48   51   53   56   58   60   63   67   68   74 
LCS_GDT     D   127_B     D   127_C     17   20   59      9   14   18   18   21   24   27   34   41   44   48   51   52   53   57   60   62   63   64   66 
LCS_GDT     F   128_B     F   128_C     17   20   59      9   14   18   18   21   24   27   34   41   44   48   51   52   53   57   60   62   63   64   66 
LCS_GDT     L   129_B     L   129_C     17   20   59      9   14   18   18   21   24   28   34   41   44   48   51   52   56   57   60   63   65   66   69 
LCS_GDT     W   130_B     W   130_C     17   20   59      9   14   18   18   21   24   27   34   41   44   48   51   52   53   57   60   62   63   64   66 
LCS_GDT     W   131_B     W   131_C     17   20   59      9   14   18   18   21   24   27   34   41   44   48   51   52   53   54   56   57   58   64   65 
LCS_GDT     Q   132_B     Q   132_C     17   20   59      9   14   18   18   21   24   27   34   41   44   48   51   52   53   54   60   61   62   64   66 
LCS_GDT     L   133_B     L   133_C     17   20   59      9   14   18   18   21   24   28   34   41   44   48   51   52   53   57   60   62   63   64   68 
LCS_GDT     Y   134_B     Y   134_C     17   20   59      9   14   18   18   21   24   27   33   41   44   48   51   52   53   54   56   57   58   60   61 
LCS_GDT     G   135_B     G   135_C     17   20   59      6   14   18   18   21   24   27   34   41   44   48   51   52   53   54   56   57   58   59   61 
LCS_GDT     E   136_B     E   136_C     17   20   59      6   14   18   18   21   24   24   30   39   44   48   51   52   53   54   56   57   58   59   59 
LCS_GDT     P   137_B     P   137_C     13   20   59      4    6   11   13   20   24   24   29   39   42   48   51   52   53   54   54   56   58   59   59 
LCS_GDT     M   138_B     M   138_C      7   20   59      4    5    8   12   19   24   27   33   41   44   48   51   52   53   54   56   57   58   59   59 
LCS_AVERAGE  LCS_A:  24.76  (  15.08   19.30   39.89 )

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     19     25     28     35     43     47     51     52     56     61     65     69     72     75     77     80     83     84     85     86 
GDT PERCENT_AT  14.96  19.69  22.05  27.56  33.86  37.01  40.16  40.94  44.09  48.03  51.18  54.33  56.69  59.06  60.63  62.99  65.35  66.14  66.93  67.72
GDT RMS_LOCAL    0.34   0.60   0.77   1.25   1.63   1.77   1.97   2.05   2.67   3.22   3.40   3.66   3.88   4.20   4.34   4.45   4.79   4.81   4.89   5.06
GDT RMS_ALL_AT  12.91  12.91  12.91  14.30  14.15  14.13  14.05  14.02  13.90  13.86  13.86  13.91  13.82  13.57  13.55  14.10  13.83  13.81  13.87  13.88

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_C
#   possible swapping detected:  E    24_B      E    24_C
#   possible swapping detected:  E    27_B      E    27_C
#   possible swapping detected:  E    35_B      E    35_C
#   possible swapping detected:  E    39_B      E    39_C
#   possible swapping detected:  E    42_B      E    42_C
#   possible swapping detected:  E    45_B      E    45_C
#   possible swapping detected:  E    50_B      E    50_C
#   possible swapping detected:  F    63_B      F    63_C
#   possible swapping detected:  E    64_B      E    64_C
#   possible swapping detected:  E    67_B      E    67_C
#   possible swapping detected:  E    70_B      E    70_C
#   possible swapping detected:  E    80_B      E    80_C
#   possible swapping detected:  E    88_B      E    88_C
#   possible swapping detected:  E    92_B      E    92_C
#   possible swapping detected:  F    97_B      F    97_C
#   possible swapping detected:  E   114_B      E   114_C
#   possible swapping detected:  F   122_B      F   122_C
#   possible swapping detected:  D   123_B      D   123_C
#   possible swapping detected:  F   124_B      F   124_C
#   possible swapping detected:  F   125_B      F   125_C
#   possible swapping detected:  D   127_B      D   127_C
#   possible swapping detected:  Y   134_B      Y   134_C

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    P     2_B      P     2_C     1.232     0    0.611   0.603     3.860   75.357   63.605
LGA    I     3_B      I     3_C     1.295     0    0.077   0.154     1.485   81.429   81.429
LGA    Q     4_B      Q     4_C     1.353     0    0.030   1.373     7.810   83.690   56.614
LGA    E     5_B      E     5_C     1.332     0    0.018   0.141     2.106   81.429   74.868
LGA    E     6_B      E     6_C     0.799     0    0.018   1.026     5.293   90.476   66.349
LGA    I     7_B      I     7_C     0.489     0    0.024   0.075     0.859   97.619   94.048
LGA    Q     8_B      Q     8_C     1.019     0    0.028   1.492     6.357   88.214   64.392
LGA    K     9_B      K     9_C     0.941     0    0.016   1.173     3.808   90.476   79.312
LGA    K    10_B      K    10_C     0.443     0    0.061   0.847     4.462   97.619   76.614
LGA    V    11_B      V    11_C     0.757     0    0.064   0.107     1.709   92.857   85.510
LGA    R    12_B      R    12_C     1.090     0    0.134   1.150     5.667   83.690   70.087
LGA    E    13_B      E    13_C     1.608     0    0.113   0.214     4.345   79.286   62.540
LGA    L    14_B      L    14_C     1.361     0    0.051   1.422     5.482   83.690   62.798
LGA    L    15_B      L    15_C     0.699     0    0.032   1.421     4.760   97.619   81.190
LGA    E    16_B      E    16_C     1.343     0    0.070   0.217     2.676   81.548   71.429
LGA    K    17_B      K    17_C     2.222     0    0.035   0.660     8.141   68.810   48.148
LGA    L    18_B      L    18_C     1.653     0    0.066   1.390     4.331   75.000   71.667
LGA    I    19_B      I    19_C     0.568     0    0.019   0.697     2.147   95.238   84.107
LGA    E    20_B      E    20_C     2.235     0    0.044   0.220     4.922   68.929   52.116
LGA    Y    21_B      Y    21_C     2.902     0    0.045   0.622     7.425   59.048   38.254
LGA    L    22_B      L    22_C     1.886     0    0.048   1.385     4.345   70.833   66.369
LGA    E    23_B      E    23_C     1.084     0    0.015   0.205     2.156   77.143   76.772
LGA    E    24_B      E    24_C     2.764     0    0.077   1.173     3.767   57.262   55.714
LGA    L    25_B      L    25_C     3.086     0    0.135   1.376     5.163   51.905   52.798
LGA    K    26_B      K    26_C     1.960     0    0.574   0.892     5.800   70.952   65.926
LGA    E    27_B      E    27_C     5.465     0    0.606   1.082    12.601   21.190   11.005
LGA    K    34_B      K    34_C     7.024     0    0.584   0.872    11.144    4.643   16.085
LGA    E    35_B      E    35_C     8.705     0    0.175   1.130    11.382    2.143    1.481
LGA    K    36_B      K    36_C     9.794     0    0.038   0.893    10.810    1.905    0.952
LGA    L    37_B      L    37_C     7.125     0    0.050   1.395     8.029   10.357   18.333
LGA    E    38_B      E    38_C     7.031     0    0.039   0.833     7.827    8.571   17.937
LGA    E    39_B      E    39_C     9.453     0    0.029   0.952    14.880    1.548    0.688
LGA    V    40_B      V    40_C     8.501     0    0.054   0.857     8.781    4.405    4.898
LGA    I    41_B      I    41_C     6.753     0    0.042   0.060     7.430   10.833   17.440
LGA    E    42_B      E    42_C     8.449     0    0.056   0.807    10.183    4.048    2.751
LGA    G    43_B      G    43_C     9.876     0    0.072   0.072     9.876    0.952    0.952
LGA    L    44_B      L    44_C     8.228     0    0.055   1.229    10.030    4.286    3.810
LGA    E    45_B      E    45_C     8.190     0    0.056   0.856    11.253    3.810    2.963
LGA    R    46_B      R    46_C     9.898     0    0.019   1.137    10.880    0.476    2.208
LGA    L    47_B      L    47_C     9.880     0    0.026   0.955    11.378    0.952    0.952
LGA    K    48_B      K    48_C     8.284     0    0.102   1.116     8.926    3.333    8.995
LGA    E    49_B      E    49_C    10.491     0    0.197   0.623    11.376    0.119    0.106
LGA    E    50_B      E    50_C    11.776     0    0.207   1.005    16.885    0.000    0.000
LGA    V    51_B      V    51_C     9.475     0    0.127   0.158    10.426    1.190    1.769
LGA    D    52_B      D    52_C    10.839     0    0.156   0.279    12.384    0.000    0.000
LGA    Q    55_B      Q    55_C     6.421     0    0.612   1.074    14.123   17.262    8.519
LGA    L    56_B      L    56_C    10.388     0    0.596   1.438    16.866    0.595    0.298
LGA    N    57_B      N    57_C     8.584     0    0.626   0.745    10.314    1.786    3.095
LGA    M    58_B      M    58_C    10.579     0    0.081   1.289    12.738    0.119    0.060
LGA    N    59_B      N    59_C    15.267     0    0.622   0.756    18.905    0.000    0.000
LGA    L    60_B      L    60_C    15.150     0    0.599   0.565    17.485    0.000    0.000
LGA    I    61_B      I    61_C    15.462     0    0.633   1.594    17.278    0.000    0.000
LGA    V    62_B      V    62_C    20.427     0    0.641   0.579    24.475    0.000    0.000
LGA    F    63_B      F    63_C    26.496     0    0.683   0.551    28.601    0.000    0.000
LGA    E    64_B      E    64_C    28.925     0    0.078   1.410    32.417    0.000    0.000
LGA    G    65_B      G    65_C    28.938     0    0.098   0.098    28.938    0.000    0.000
LGA    L    66_B      L    66_C    27.980     0    0.085   1.276    30.225    0.000    0.000
LGA    E    67_B      E    67_C    29.460     0    0.071   0.862    33.904    0.000    0.000
LGA    V    68_B      V    68_C    28.009     0    0.042   1.204    29.538    0.000    0.000
LGA    D    69_B      D    69_C    26.458     0    0.344   0.562    26.754    0.000    0.000
LGA    E    70_B      E    70_C    26.212     0    0.674   1.431    28.743    0.000    0.000
LGA    E    71_B      E    71_C    24.420     0    0.496   0.574    24.660    0.000    0.000
LGA    G    72_B      G    72_C    23.435     0    0.164   0.164    23.621    0.000    0.000
LGA    R    73_B      R    73_C    21.736     0    0.630   1.508    24.676    0.000    0.000
LGA    V    74_B      V    74_C    17.508     0    0.610   0.871    18.683    0.000    0.000
LGA    W    75_B      W    75_C    16.939     0    0.631   0.662    18.984    0.000    0.000
LGA    F    76_B      F    76_C    17.007     0    0.591   0.501    19.982    0.000    0.000
LGA    I    77_B      I    77_C    15.570     0    0.611   0.785    16.737    0.000    0.000
LGA    V    78_B      V    78_C    13.253     0    0.592   0.653    16.793    0.000    0.000
LGA    K    79_B      K    79_C    17.377     0    0.141   0.813    22.454    0.000    0.000
LGA    E    80_B      E    80_C    13.758     0    0.550   0.956    14.506    0.000    0.000
LGA    M    81_B      M    81_C     9.211     0    0.619   1.039    11.177    0.357    4.286
LGA    L    82_B      L    82_C    10.808     0    0.459   0.472    12.937    0.119    0.060
LGA    H    83_B      H    83_C    10.724     0    0.480   0.330    11.734    0.119    0.048
LGA    A    84_B      A    84_C     6.706     0    0.053   0.058     8.199    8.095   12.762
LGA    T    85_B      T    85_C     8.545     0    0.075   1.214    11.370    5.000    3.469
LGA    T    86_B      T    86_C     5.931     0    0.075   1.029     6.413   22.738   26.667
LGA    E    87_B      E    87_C     5.581     0    0.047   0.850    10.253   29.286   16.243
LGA    E    88_B      E    88_C     2.252     0    0.022   1.024     5.427   69.405   59.365
LGA    E    89_B      E    89_C     1.751     0    0.053   0.174     5.851   70.833   50.265
LGA    A    90_B      A    90_C     3.520     0    0.037   0.050     4.649   51.905   47.810
LGA    L    91_B      L    91_C     3.106     0    0.019   1.027     6.730   59.167   45.952
LGA    E    92_B      E    92_C     1.123     0    0.079   1.026     6.065   85.952   57.619
LGA    N    93_B      N    93_C     1.511     0    0.013   1.015     4.242   77.262   66.607
LGA    M    94_B      M    94_C     2.250     0    0.011   0.980     5.748   70.833   56.905
LGA    D    95_B      D    95_C     1.636     0    0.052   0.101     3.440   77.143   66.310
LGA    K    96_B      K    96_C     1.714     0    0.004   1.204     8.457   77.262   53.704
LGA    F    97_B      F    97_C     2.097     0    0.029   1.148     3.654   70.833   60.996
LGA    L    98_B      L    98_C     1.724     0    0.074   1.402     7.294   79.286   53.393
LGA    E    99_B      E    99_C     2.016     0    0.074   0.233     4.972   70.952   55.185
LGA    S   100_B      S   100_C     2.530     0    0.082   0.703     3.451   66.905   65.079
LGA    W   101_B      W   101_C     1.401     0    0.031   1.542     8.536   85.952   53.946
LGA    E   102_B      E   102_C     1.911     0    0.040   0.887     5.333   72.976   55.503
LGA    K   103_B      K   103_C     2.965     0    0.018   0.594     8.282   57.262   36.296
LGA    V   104_B      V   104_C     2.588     0    0.035   0.063     3.867   64.881   56.599
LGA    F   105_B      F   105_C     0.689     0    0.000   1.153     4.039   88.214   72.208
LGA    K   106_B      K   106_C     2.205     0    0.047   0.834     4.218   67.024   57.090
LGA    E   107_B      E   107_C     3.153     0    0.038   0.453     6.278   55.357   40.635
LGA    L   108_B      L   108_C     1.511     0    0.037   0.834     4.505   79.643   65.595
LGA    L   109_B      L   109_C     1.900     0    0.042   0.914     6.859   70.952   52.857
LGA    E   110_B      E   110_C     3.398     0    0.030   0.158     5.768   51.786   38.836
LGA    Y   111_B      Y   111_C     2.444     0    0.029   0.060     4.847   66.905   51.587
LGA    H   112_B      H   112_C     1.602     0    0.036   1.142     4.250   69.048   62.571
LGA    F   113_B      F   113_C     3.244     0    0.123   0.537     4.728   45.476   50.952
LGA    E   114_B      E   114_C     4.275     0    0.432   1.092     7.501   27.857   32.593
LGA    H   115_B      H   115_C    10.247     0    0.497   1.296    14.024    1.786    0.714
LGA    N   116_B      N   116_C    12.962     0    0.494   0.575    16.253    0.000    0.357
LGA    S   119_B      S   119_C    19.611     0    0.560   0.762    20.711    0.000    0.000
LGA    P   120_B      P   120_C    23.824     0    0.269   0.350    26.476    0.000    0.000
LGA    T   121_B      T   121_C    20.742     0    0.057   0.056    21.494    0.000    0.000
LGA    F   122_B      F   122_C    15.347     0    0.025   1.306    17.139    0.000    1.342
LGA    D   123_B      D   123_C    20.355     0    0.061   1.072    22.701    0.000    0.000
LGA    F   124_B      F   124_C    23.642     0    0.054   1.280    27.761    0.000    0.000
LGA    F   125_B      F   125_C    17.936     0    0.054   1.469    19.650    0.000    0.000
LGA    L   126_B      L   126_C    16.419     0    0.056   0.290    18.691    0.000    0.000
LGA    D   127_B      D   127_C    23.418     0    0.050   1.003    27.104    0.000    0.000
LGA    F   128_B      F   128_C    22.795     0    0.007   1.472    26.669    0.000    0.000
LGA    L   129_B      L   129_C    16.397     0    0.051   1.335    18.316    0.000    0.000
LGA    W   130_B      W   130_C    20.730     0    0.074   0.070    28.683    0.000    0.000
LGA    W   131_B      W   131_C    25.610     0    0.022   0.924    34.110    0.000    0.000
LGA    Q   132_B      Q   132_C    21.559     0    0.098   0.674    25.676    0.000    0.000
LGA    L   133_B      L   133_C    17.363     0    0.049   1.459    19.370    0.000    0.000
LGA    Y   134_B      Y   134_C    23.502     0    0.016   0.504    27.100    0.000    0.000
LGA    G   135_B      G   135_C    28.562     0    0.165   0.165    33.141    0.000    0.000
LGA    E   136_B      E   136_C    33.364     0    0.154   0.195    35.218    0.000    0.000
LGA    P   137_B      P   137_C    36.154     0    0.547   0.776    40.134    0.000    0.000
LGA    M   138_B      M   138_C    34.292     0    0.455   0.793    36.605    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      127     508    508  100.00    1099   1099  100.00               127
SUMMARY(RMSD_GDC):    12.232         12.240                 12.811           31.521   26.459

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  127    4.0     52    2.05    37.795    34.525     2.417

LGA_LOCAL      RMSD:   2.051  Number of atoms:   52  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  14.023  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:  12.232  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.599329 * X  +   0.314664 * Y  +  -0.736065 * Z  +  44.021946
  Y_new =  -0.613968 * X  +   0.409332 * Y  +   0.674900 * Z  +  -7.285728
  Z_new =   0.513662 * X  +   0.856408 * Y  +  -0.052131 * Z  +  56.881630 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.344130 -0.539447  1.631593   [DEG: -134.3087  -30.9081   93.4834 ]
ZXZ: -2.312872  1.622951  0.540263   [DEG: -132.5178   92.9882   30.9548 ]
 
# END of job
