
#######################################################
#                                                     #
#                        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  147 ( 1260),  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:    56      78_C - 135_C       4.99    21.17
  LONGEST_CONTINUOUS_SEGMENT:    56      79_C - 136_C       4.98    21.26
  LCS_AVERAGE:     41.27

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45       2_C - 52_C        1.95    19.75
  LONGEST_CONTINUOUS_SEGMENT:    45       3_C - 55_C        1.79    19.76
  LCS_AVERAGE:     21.84

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      87_C - 113_C       0.98    19.45
  LCS_AVERAGE:     13.37

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      3   45   53      0    3    3    3    3    7    9   15   17   33   49   52   52   54   55   56   57   59   60   60 
LCS_GDT     I     3_B     I     3_C     24   45   54      9   19   29   41   44   46   47   49   49   50   52   53   54   56   57   57   61   64   66   68 
LCS_GDT     Q     4_B     Q     4_C     24   45   54      9   19   29   42   44   46   47   49   49   50   52   53   54   56   57   57   61   64   66   68 
LCS_GDT     E     5_B     E     5_C     24   45   54     11   25   34   42   44   46   47   49   49   50   52   53   54   56   57   59   62   64   66   68 
LCS_GDT     E     6_B     E     6_C     24   45   54     11   25   34   42   44   46   47   49   49   50   52   53   54   56   57   61   62   64   66   68 
LCS_GDT     I     7_B     I     7_C     24   45   54     11   25   34   42   44   46   47   49   49   50   52   53   54   56   57   61   62   64   66   68 
LCS_GDT     Q     8_B     Q     8_C     24   45   54     11   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     K     9_B     K     9_C     24   45   54     14   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     K    10_B     K    10_C     24   45   54     11   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     V    11_B     V    11_C     24   45   54     14   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     R    12_B     R    12_C     24   45   54     11   18   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     E    13_B     E    13_C     24   45   54     11   18   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     L    14_B     L    14_C     24   45   54      5   18   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     L    15_B     L    15_C     24   45   54     11   18   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     E    16_B     E    16_C     24   45   54     10   18   27   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     K    17_B     K    17_C     24   45   54     11   18   26   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     L    18_B     L    18_C     24   45   54     10   18   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     I    19_B     I    19_C     24   45   54     10   18   26   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     E    20_B     E    20_C     24   45   54     10   18   26   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     Y    21_B     Y    21_C     24   45   54     10   18   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     L    22_B     L    22_C     24   45   54     10   18   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     E    23_B     E    23_C     24   45   54     10   18   29   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     E    24_B     E    24_C     24   45   54     10   16   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     L    25_B     L    25_C     24   45   54     10   16   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     K    26_B     K    26_C     24   45   54     10   16   33   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     E    27_B     E    27_C     22   45   54      3    3   22   40   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     K    34_B     K    34_C     22   45   54     14   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     E    35_B     E    35_C     22   45   54     13   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     K    36_B     K    36_C     22   45   54     14   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     L    37_B     L    37_C     22   45   54     14   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     E    38_B     E    38_C     22   45   54     14   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     E    39_B     E    39_C     22   45   54     14   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     V    40_B     V    40_C     22   45   54     14   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     I    41_B     I    41_C     22   45   54     14   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     E    42_B     E    42_C     22   45   54     14   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     G    43_B     G    43_C     22   45   54     14   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     L    44_B     L    44_C     22   45   54     14   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     E    45_B     E    45_C     22   45   54     14   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     R    46_B     R    46_C     22   45   54     10   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     L    47_B     L    47_C     22   45   54      6   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     K    48_B     K    48_C     22   45   54     14   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     E    49_B     E    49_C     22   45   54     14   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     E    50_B     E    50_C     22   45   54      5   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     V    51_B     V    51_C     22   45   54      5   25   34   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     D    52_B     D    52_C     22   45   54      3    3    7   24   42   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     Q    55_B     Q    55_C      3   45   54      0    3    4   10   28   35   40   44   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     L    56_B     L    56_C      3    4   54      3    3    4    5   15   20   25   31   36   41   47   50   53   56   58   61   62   64   66   68 
LCS_GDT     N    57_B     N    57_C      3    4   54      3    3    3    3    9   14   19   20   30   40   47   49   53   56   58   61   62   64   66   68 
LCS_GDT     M    58_B     M    58_C      4    7   54      3    4    5    6    7   14   19   20   35   41   47   50   53   56   58   61   62   64   66   68 
LCS_GDT     N    59_B     N    59_C      4    7   54      3    4    5    6   11   17   24   29   35   41   47   49   53   56   58   61   62   64   66   68 
LCS_GDT     L    60_B     L    60_C      4    9   54      3    4    4    7   10   13   19   29   35   41   47   49   53   56   58   61   62   64   66   68 
LCS_GDT     I    61_B     I    61_C      5    9   54      3    4    6    7   11   14   24   29   35   41   47   49   53   56   58   61   62   64   66   68 
LCS_GDT     V    62_B     V    62_C      5    9   54      3    4    6    7   10   14   18   27   35   41   47   49   53   56   58   61   62   64   66   68 
LCS_GDT     F    63_B     F    63_C      5    9   54      3    4    6    7   11   14   19   28   35   41   46   49   52   54   58   60   62   64   66   68 
LCS_GDT     E    64_B     E    64_C      5    9   54      4    4    8    9   15   20   25   29   35   41   47   49   53   56   58   61   62   64   66   68 
LCS_GDT     G    65_B     G    65_C      5    9   54      4    4   22   27   29   30   30   31   35   41   46   49   52   54   56   60   62   64   66   67 
LCS_GDT     L    66_B     L    66_C      5    9   54      4    4    6    7   10   12   14   23   30   34   40   44   45   49   52   53   55   60   61   64 
LCS_GDT     E    67_B     E    67_C      5    9   51      4    4    8    9   10   11   12   13   13   14   18   30   37   43   48   51   54   56   59   59 
LCS_GDT     V    68_B     V    68_C      5    9   44      4    4    8    9   10   11   12   13   13   14   15   17   18   19   22   27   32   37   43   49 
LCS_GDT     D    69_B     D    69_C      5    8   17      4    4    8    9   10   11   12   13   13   14   15   17   18   19   22   28   29   35   38   43 
LCS_GDT     E    70_B     E    70_C      5    8   17      4    4    8    9   10   11   12   13   13   14   15   17   18   19   20   21   29   31   35   36 
LCS_GDT     E    71_B     E    71_C      5    8   17      3    3    8    9   10   10   12   13   13   14   15   17   18   19   20   27   29   31   35   36 
LCS_GDT     G    72_B     G    72_C      3    6   17      3    3    4    5    6    6    9   12   12   14   14   17   18   19   22   27   29   31   35   36 
LCS_GDT     R    73_B     R    73_C      3    6   17      3    3    3    4    6    6    6    8   10   11   12   14   18   23   26   28   35   39   43   44 
LCS_GDT     V    74_B     V    74_C      3    6    9      3    3    4    5    6    6    6    8   10   19   19   23   28   29   29   29   35   39   43   44 
LCS_GDT     W    75_B     W    75_C      3    6   23      3    3    4    5    6    6    6   12   14   19   19   23   28   29   29   29   32   37   38   42 
LCS_GDT     F    76_B     F    76_C      3    4   27      3    3    3    4    4    6    8   12   14   19   21   23   28   29   29   30   34   37   38   42 
LCS_GDT     I    77_B     I    77_C      3    5   38      3    3    3    4    5    5    8   11   14   16   21   23   28   29   29   30   35   39   43   44 
LCS_GDT     V    78_B     V    78_C      3    5   56      2    3    3    4    6    9   13   17   19   22   23   27   36   43   49   51   54   56   59   59 
LCS_GDT     K    79_B     K    79_C      3    5   56      1    3    3    4    6    9   13   17   18   21   23   26   34   43   49   52   54   56   59   59 
LCS_GDT     E    80_B     E    80_C      3    5   56      3    3    3    5    7   12   14   17   18   21   23   26   32   38   43   51   54   56   59   59 
LCS_GDT     M    81_B     M    81_C      3    5   56      3    3    3    4    6    9   12   17   20   27   30   36   38   43   49   52   54   56   59   59 
LCS_GDT     L    82_B     L    82_C      3    4   56      3    3    4    5   10   12   14   17   20   32   36   44   50   51   52   53   54   56   59   59 
LCS_GDT     H    83_B     H    83_C      4    8   56      3    3    4    5    9   11   14   15   19   22   34   37   40   47   49   53   54   56   59   59 
LCS_GDT     A    84_B     A    84_C      4   30   56      3    3    4    4    5    6   11   14   29   32   34   37   43   48   52   53   54   56   59   59 
LCS_GDT     T    85_B     T    85_C     14   30   56      4    7   12   24   28   31   37   41   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     T    86_B     T    86_C     20   30   56      5   10   17   27   29   31   37   41   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     E    87_B     E    87_C     27   30   56      5   12   22   27   29   31   37   41   43   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     E    88_B     E    88_C     27   30   56      6   19   25   27   29   31   37   41   43   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     E    89_B     E    89_C     27   30   56      5   19   25   27   29   31   37   41   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     A    90_B     A    90_C     27   30   56     10   22   25   27   29   31   37   41   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     L    91_B     L    91_C     27   30   56     10   22   25   27   29   31   37   41   43   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     E    92_B     E    92_C     27   30   56     15   22   25   27   29   31   37   41   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     N    93_B     N    93_C     27   30   56     15   22   25   27   29   31   37   41   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     M    94_B     M    94_C     27   30   56     15   22   25   27   29   31   37   41   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     D    95_B     D    95_C     27   30   56     13   22   25   27   29   31   37   41   43   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     K    96_B     K    96_C     27   30   56     15   22   25   27   29   31   37   41   44   48   48   49   50   51   55   56   57   59   60   60 
LCS_GDT     F    97_B     F    97_C     27   30   56     14   22   25   27   29   31   37   41   44   48   48   49   52   54   55   56   57   59   60   60 
LCS_GDT     L    98_B     L    98_C     27   30   56     14   22   25   27   29   31   37   41   44   48   51   52   53   54   55   57   57   59   65   67 
LCS_GDT     E    99_B     E    99_C     27   30   56     15   22   25   27   29   31   37   41   44   50   52   53   54   56   57   57   61   64   66   68 
LCS_GDT     S   100_B     S   100_C     27   30   56     15   22   25   37   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     W   101_B     W   101_C     27   30   56     15   22   25   34   40   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     E   102_B     E   102_C     27   30   56     15   22   25   27   29   31   37   41   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     K   103_B     K   103_C     27   30   56     15   22   25   27   29   31   37   41   44   48   48   51   54   56   58   61   62   64   66   68 
LCS_GDT     V   104_B     V   104_C     27   30   56     15   22   25   27   29   31   37   41   44   48   48   49   53   56   58   61   62   64   66   68 
LCS_GDT     F   105_B     F   105_C     27   30   56     15   22   25   27   29   31   37   41   44   48   48   49   50   51   57   60   62   64   66   68 
LCS_GDT     K   106_B     K   106_C     27   30   56     15   22   25   27   29   31   37   41   44   48   48   49   50   51   52   53   55   58   60   64 
LCS_GDT     E   107_B     E   107_C     27   30   56     15   22   25   27   29   31   37   41   44   48   48   49   50   51   52   53   54   56   60   63 
LCS_GDT     L   108_B     L   108_C     27   30   56     15   22   25   27   29   31   37   41   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     L   109_B     L   109_C     27   30   56     15   22   25   27   29   31   37   41   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     E   110_B     E   110_C     27   30   56      7   22   25   27   29   31   37   41   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     Y   111_B     Y   111_C     27   30   56      7   22   25   27   29   31   37   41   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     H   112_B     H   112_C     27   30   56      3   22   25   27   29   30   37   41   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     F   113_B     F   113_C     27   30   56      3    3   24   27   29   30   30   34   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     E   114_B     E   114_C      3   30   56      3    4    5   14   20   27   32   37   44   48   48   49   50   51   52   53   53   56   59   59 
LCS_GDT     H   115_B     H   115_C      3   26   56      3    4    4    6    8   19   27   37   44   48   48   49   50   51   52   53   53   56   59   59 
LCS_GDT     N   116_B     N   116_C      3    4   56      3    4    4    6    8   16   26   37   44   48   48   49   50   51   52   53   53   56   59   59 
LCS_GDT     S   119_B     S   119_C      3   17   56      3    3    4    4    8   10   14   16   18   21   34   49   50   51   52   53   53   56   59   59 
LCS_GDT     P   120_B     P   120_C     15   17   56      4   10   14   15   21   25   35   41   44   48   48   49   50   51   52   53   55   58   61   64 
LCS_GDT     T   121_B     T   121_C     15   17   56      9   13   14   16   22   31   37   41   44   48   48   49   50   51   52   53   55   58   60   64 
LCS_GDT     F   122_B     F   122_C     15   17   56      9   13   14   18   24   31   37   41   44   48   48   49   50   51   52   54   57   60   62   64 
LCS_GDT     D   123_B     D   123_C     15   17   56      9   13   14   16   21   26   29   41   44   48   48   49   50   51   53   60   62   64   66   68 
LCS_GDT     F   124_B     F   124_C     15   17   56      9   13   14   16   21   31   37   41   44   48   48   51   54   56   58   61   62   64   66   68 
LCS_GDT     F   125_B     F   125_C     15   17   56      9   13   14   18   24   31   37   41   44   48   50   52   54   56   58   61   62   64   66   68 
LCS_GDT     L   126_B     L   126_C     15   17   56      7   13   14   16   21   26   37   41   46   48   51   53   54   56   58   61   62   64   66   68 
LCS_GDT     D   127_B     D   127_C     15   17   56      7   18   24   42   44   46   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     F   128_B     F   128_C     15   17   56      9   13   14   16   21   32   47   49   49   50   52   53   54   56   58   61   62   64   66   68 
LCS_GDT     L   129_B     L   129_C     15   17   56      9   13   14   22   24   44   47   49   49   50   52   53   54   56   57   61   62   64   66   68 
LCS_GDT     W   130_B     W   130_C     15   17   56      9   13   14   16   21   26   29   39   44   48   49   50   53   53   55   56   57   59   60   63 
LCS_GDT     W   131_B     W   131_C     15   17   56      7   13   14   16   21   26   33   41   44   48   48   49   53   53   53   56   57   58   59   60 
LCS_GDT     Q   132_B     Q   132_C     15   17   56      6   13   14   16   21   31   37   41   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     L   133_B     L   133_C     15   17   56      4   13   14   16   21   26   30   41   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     Y   134_B     Y   134_C     15   17   56      9   13   14   16   21   26   29   37   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     G   135_B     G   135_C     11   17   56      3    4    8   13   16   21   29   37   44   48   48   49   50   51   52   53   54   56   59   59 
LCS_GDT     E   136_B     E   136_C      3    4   56      3    3    3    4    4    5    8   10   12   19   29   34   39   42   44   46   50   54   57   59 
LCS_GDT     P   137_B     P   137_C      3    4   55      3    3    3    4    4    5    5    6    9   14   14   21   28   31   33   36   39   43   45   50 
LCS_GDT     M   138_B     M   138_C      3    3   55      3    3    3    3    4    5    5    6    9   14   14   17   19   25   29   35   39   43   46   50 
LCS_AVERAGE  LCS_A:  25.49  (  13.37   21.84   41.27 )

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     15     25     34     42     44     46     47     49     49     50     52     53     54     56     58     61     62     64     66     68 
GDT PERCENT_AT  11.81  19.69  26.77  33.07  34.65  36.22  37.01  38.58  38.58  39.37  40.94  41.73  42.52  44.09  45.67  48.03  48.82  50.39  51.97  53.54
GDT RMS_LOCAL    0.38   0.65   1.10   1.38   1.42   1.52   1.60   1.78   1.78   1.94   2.33   2.45   2.65   3.08   4.38   4.61   4.68   4.88   5.06   5.29
GDT RMS_ALL_AT  19.38  19.93  19.77  19.68  19.70  19.69  19.67  19.70  19.70  19.78  19.86  19.85  19.89  19.99  19.93  19.92  19.93  20.06  20.01  19.99

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_C
#   possible swapping detected:  E    20_B      E    20_C
#   possible swapping detected:  E    39_B      E    39_C
#   possible swapping detected:  E    42_B      E    42_C
#   possible swapping detected:  E    49_B      E    49_C
#   possible swapping detected:  E    64_B      E    64_C
#   possible swapping detected:  D    69_B      D    69_C
#   possible swapping detected:  E    70_B      E    70_C
#   possible swapping detected:  F    76_B      F    76_C
#   possible swapping detected:  E    80_B      E    80_C
#   possible swapping detected:  E    88_B      E    88_C
#   possible swapping detected:  D    95_B      D    95_C
#   possible swapping detected:  F    97_B      F    97_C
#   possible swapping detected:  E    99_B      E    99_C
#   possible swapping detected:  E   102_B      E   102_C
#   possible swapping detected:  E   110_B      E   110_C
#   possible swapping detected:  Y   111_B      Y   111_C
#   possible swapping detected:  D   123_B      D   123_C
#   possible swapping detected:  F   124_B      F   124_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     9.528     0    0.136   0.356    13.878    5.952    3.401
LGA    I     3_B      I     3_C     2.339     0    0.675   0.920     4.957   58.452   58.929
LGA    Q     4_B      Q     4_C     1.949     0    0.064   0.739     4.899   70.833   56.667
LGA    E     5_B      E     5_C     1.405     0    0.039   0.200     1.630   81.548   80.529
LGA    E     6_B      E     6_C     1.012     0    0.043   1.011     2.153   85.952   79.683
LGA    I     7_B      I     7_C     1.256     0    0.032   0.632     2.826   83.690   76.369
LGA    Q     8_B      Q     8_C     0.933     0    0.045   1.526     5.399   90.595   71.429
LGA    K     9_B      K     9_C     0.406     0    0.043   1.236     6.377   97.619   76.931
LGA    K    10_B      K    10_C     0.479     0    0.105   0.995     5.448   95.357   75.503
LGA    V    11_B      V    11_C     0.282     0    0.111   1.135     3.130   92.976   84.830
LGA    R    12_B      R    12_C     1.134     0    0.120   0.809     2.829   81.548   74.632
LGA    E    13_B      E    13_C     1.461     0    0.113   1.186     6.393   81.429   62.540
LGA    L    14_B      L    14_C     1.327     0    0.077   1.424     4.097   81.429   68.929
LGA    L    15_B      L    15_C     1.424     0    0.065   1.187     3.085   77.143   71.131
LGA    E    16_B      E    16_C     2.072     0    0.073   0.723     2.434   66.786   72.222
LGA    K    17_B      K    17_C     2.005     0    0.049   0.602     5.698   70.833   59.471
LGA    L    18_B      L    18_C     1.227     0    0.035   0.801     2.398   81.429   79.405
LGA    I    19_B      I    19_C     2.080     0    0.045   1.595     4.536   66.786   63.869
LGA    E    20_B      E    20_C     2.541     0    0.056   0.820     3.243   64.881   64.127
LGA    Y    21_B      Y    21_C     1.488     0    0.030   0.919     5.138   79.286   63.016
LGA    L    22_B      L    22_C     1.251     0    0.032   1.011     3.015   79.286   74.345
LGA    E    23_B      E    23_C     1.932     0    0.046   1.255     5.044   70.833   61.587
LGA    E    24_B      E    24_C     1.640     0    0.036   1.140     3.983   77.143   71.481
LGA    L    25_B      L    25_C     1.314     0    0.097   1.338     3.747   81.429   75.595
LGA    K    26_B      K    26_C     1.789     0    0.624   0.531     3.602   65.476   63.651
LGA    E    27_B      E    27_C     2.183     0    0.585   1.025     6.479   55.714   43.069
LGA    K    34_B      K    34_C     1.498     0    0.214   1.168     9.246   75.357   51.217
LGA    E    35_B      E    35_C     1.205     0    0.055   0.803     5.932   81.429   60.794
LGA    K    36_B      K    36_C     1.242     0    0.047   1.058     7.793   83.690   59.577
LGA    L    37_B      L    37_C     1.096     0    0.051   0.923     3.478   81.429   76.429
LGA    E    38_B      E    38_C     1.085     0    0.040   0.812     2.411   81.429   80.582
LGA    E    39_B      E    39_C     1.027     0    0.061   0.890     4.215   83.690   66.402
LGA    V    40_B      V    40_C     0.821     0    0.061   1.092     2.667   90.476   83.197
LGA    I    41_B      I    41_C     0.922     0    0.025   1.340     2.880   85.952   77.619
LGA    E    42_B      E    42_C     1.197     0    0.074   0.657     1.983   83.690   78.624
LGA    G    43_B      G    43_C     1.020     0    0.062   0.062     1.092   83.690   83.690
LGA    L    44_B      L    44_C     0.934     0    0.064   1.342     4.142   88.214   75.298
LGA    E    45_B      E    45_C     0.828     0    0.090   0.613     1.841   85.952   86.561
LGA    R    46_B      R    46_C     1.209     0    0.043   1.134     5.383   81.548   58.095
LGA    L    47_B      L    47_C     1.420     0    0.067   1.345     3.372   81.429   79.881
LGA    K    48_B      K    48_C     1.239     0    0.057   1.051     4.450   83.690   70.741
LGA    E    49_B      E    49_C     1.093     0    0.195   0.723     3.285   81.429   71.693
LGA    E    50_B      E    50_C     1.061     0    0.183   0.489     1.348   83.690   85.503
LGA    V    51_B      V    51_C     0.622     0    0.150   0.970     2.247   79.643   76.939
LGA    D    52_B      D    52_C     2.964     0    0.195   0.402     4.643   57.262   47.262
LGA    Q    55_B      Q    55_C     7.460     0    0.592   0.528    15.625    7.262    3.280
LGA    L    56_B      L    56_C    13.158     0    0.585   1.486    18.551    0.000    0.000
LGA    N    57_B      N    57_C    14.923     0    0.580   0.975    17.890    0.000    0.000
LGA    M    58_B      M    58_C    14.742     0    0.643   1.105    15.809    0.000    0.000
LGA    N    59_B      N    59_C    15.846     0    0.030   1.150    19.733    0.000    0.000
LGA    L    60_B      L    60_C    14.692     0    0.177   1.141    14.770    0.000    0.000
LGA    I    61_B      I    61_C    15.543     0    0.062   0.581    16.722    0.000    0.000
LGA    V    62_B      V    62_C    15.481     0    0.198   0.277    15.682    0.000    0.000
LGA    F    63_B      F    63_C    16.142     0    0.099   1.152    17.088    0.000    0.000
LGA    E    64_B      E    64_C    15.053     0    0.644   1.251    17.371    0.000    0.000
LGA    G    65_B      G    65_C    15.808     0    0.096   0.096    18.459    0.000    0.000
LGA    L    66_B      L    66_C    19.060     0    0.044   1.278    20.525    0.000    0.000
LGA    E    67_B      E    67_C    24.514     0    0.088   0.976    31.496    0.000    0.000
LGA    V    68_B      V    68_C    25.600     0    0.023   0.107    28.967    0.000    0.000
LGA    D    69_B      D    69_C    29.218     0    0.050   1.202    31.084    0.000    0.000
LGA    E    70_B      E    70_C    33.734     0    0.638   1.129    37.766    0.000    0.000
LGA    E    71_B      E    71_C    31.502     0    0.268   0.459    33.155    0.000    0.000
LGA    G    72_B      G    72_C    29.395     0    0.608   0.608    30.553    0.000    0.000
LGA    R    73_B      R    73_C    31.489     0    0.035   1.474    36.836    0.000    0.000
LGA    V    74_B      V    74_C    32.399     0    0.124   1.023    34.231    0.000    0.000
LGA    W    75_B      W    75_C    36.380     0    0.572   1.322    47.794    0.000    0.000
LGA    F    76_B      F    76_C    34.004     0    0.046   0.197    36.744    0.000    0.000
LGA    I    77_B      I    77_C    31.914     0    0.206   1.036    32.218    0.000    0.000
LGA    V    78_B      V    78_C    29.026     0    0.626   1.463    30.271    0.000    0.000
LGA    K    79_B      K    79_C    28.905     0    0.449   0.987    32.807    0.000    0.000
LGA    E    80_B      E    80_C    33.385     0    0.622   1.140    37.580    0.000    0.000
LGA    M    81_B      M    81_C    32.174     0    0.605   0.895    34.406    0.000    0.000
LGA    L    82_B      L    82_C    32.605     0    0.485   0.447    35.282    0.000    0.000
LGA    H    83_B      H    83_C    39.475     0    0.582   1.180    44.853    0.000    0.000
LGA    A    84_B      A    84_C    40.130     0    0.126   0.135    40.483    0.000    0.000
LGA    T    85_B      T    85_C    41.828     0    0.541   0.537    44.315    0.000    0.000
LGA    T    86_B      T    86_C    42.175     0    0.120   0.272    43.937    0.000    0.000
LGA    E    87_B      E    87_C    39.161     0    0.057   1.101    40.937    0.000    0.000
LGA    E    88_B      E    88_C    36.181     0    0.055   0.803    42.489    0.000    0.000
LGA    E    89_B      E    89_C    32.261     0    0.070   0.709    37.247    0.000    0.000
LGA    A    90_B      A    90_C    30.162     0    0.043   0.068    31.918    0.000    0.000
LGA    L    91_B      L    91_C    27.208     0    0.035   1.121    32.471    0.000    0.000
LGA    E    92_B      E    92_C    23.873     0    0.064   0.609    30.921    0.000    0.000
LGA    N    93_B      N    93_C    20.765     0    0.054   1.418    23.518    0.000    0.000
LGA    M    94_B      M    94_C    18.154     0    0.028   1.246    20.674    0.000    0.000
LGA    D    95_B      D    95_C    16.135     0    0.073   1.180    20.180    0.000    0.000
LGA    K    96_B      K    96_C    11.766     0    0.064   1.040    13.864    2.619    2.593
LGA    F    97_B      F    97_C     9.663     0    0.073   1.336    11.745    7.976    2.900
LGA    L    98_B      L    98_C     6.963     0    0.055   1.012    10.936   19.167   10.357
LGA    E    99_B      E    99_C     6.063     0    0.071   0.940    12.502   28.690   13.862
LGA    S   100_B      S   100_C     2.578     0    0.066   0.564     5.545   46.667   39.921
LGA    W   101_B      W   101_C     3.660     0    0.029   0.782     9.909   37.738   27.245
LGA    E   102_B      E   102_C     7.043     0    0.025   0.876    12.564   12.500    6.138
LGA    K   103_B      K   103_C    10.111     0    0.080   1.031    13.967    1.190    1.164
LGA    V   104_B      V   104_C    12.539     0    0.037   0.064    16.005    0.000    0.000
LGA    F   105_B      F   105_C    13.274     0    0.043   1.257    17.668    0.000    0.087
LGA    K   106_B      K   106_C    18.028     0    0.042   0.741    23.658    0.000    0.000
LGA    E   107_B      E   107_C    21.478     0    0.058   0.582    25.090    0.000    0.000
LGA    L   108_B      L   108_C    22.468     0    0.030   0.154    26.146    0.000    0.000
LGA    L   109_B      L   109_C    24.764     0    0.038   0.841    29.366    0.000    0.000
LGA    E   110_B      E   110_C    29.409     0    0.039   1.098    33.395    0.000    0.000
LGA    Y   111_B      Y   111_C    31.859     0    0.030   1.247    35.407    0.000    0.000
LGA    H   112_B      H   112_C    32.483     0    0.656   0.635    35.523    0.000    0.000
LGA    F   113_B      F   113_C    38.336     0    0.676   0.584    42.673    0.000    0.000
LGA    E   114_B      E   114_C    40.496     0    0.222   1.134    43.848    0.000    0.000
LGA    H   115_B      H   115_C    40.935     0    0.636   1.118    40.935    0.000    0.000
LGA    N   116_B      N   116_C    37.773     0    0.450   0.965    40.560    0.000    0.000
LGA    S   119_B      S   119_C    27.327     0    0.575   0.763    29.291    0.000    0.000
LGA    P   120_B      P   120_C    21.092     0    0.217   0.596    24.515    0.000    0.000
LGA    T   121_B      T   121_C    20.376     0    0.072   1.002    23.400    0.000    0.000
LGA    F   122_B      F   122_C    17.073     0    0.035   1.271    21.776    0.000    0.000
LGA    D   123_B      D   123_C    13.486     0    0.024   1.010    17.522    0.714    0.357
LGA    F   124_B      F   124_C    10.249     0    0.042   0.243    13.817    4.048    1.472
LGA    F   125_B      F   125_C     8.795     0    0.051   1.052    15.571   14.405    5.238
LGA    L   126_B      L   126_C     6.052     0    0.052   1.057    11.549   27.738   14.226
LGA    D   127_B      D   127_C     2.919     0    0.080   0.562     7.756   56.429   39.702
LGA    F   128_B      F   128_C     4.250     0    0.039   1.306    13.032   38.690   16.147
LGA    L   129_B      L   129_C     3.788     0    0.089   0.787     8.004   31.667   44.762
LGA    W   130_B      W   130_C     8.310     0    0.043   1.029    17.880    6.667    2.109
LGA    W   131_B      W   131_C    10.731     0    0.065   0.971    14.983    0.714    0.238
LGA    Q   132_B      Q   132_C    13.467     0    0.148   0.976    16.845    0.000    0.000
LGA    L   133_B      L   133_C    15.334     0    0.046   1.468    19.924    0.000    0.000
LGA    Y   134_B      Y   134_C    19.601     0    0.086   1.245    23.273    0.000    0.000
LGA    G   135_B      G   135_C    21.258     0    0.241   0.241    23.834    0.000    0.000
LGA    E   136_B      E   136_C    22.094     0    0.570   0.494    24.262    0.000    0.000
LGA    P   137_B      P   137_C    21.038     0    0.195   0.290    22.093    0.000    0.000
LGA    M   138_B      M   138_C    21.144     0    0.140   0.866    25.007    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):    18.234         18.222                 18.859           30.260   26.262

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  147  127    4.0     49    1.78    34.843    32.265     2.612

LGA_LOCAL      RMSD:   1.776  Number of atoms:   49  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.700  Number of assigned atoms:  127 
Std_ASGN_ATOMS RMSD:  18.234  Standard rmsd on all 127 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.692439 * X  +  -0.668187 * Y  +   0.272131 * Z  +  18.596405
  Y_new =  -0.592652 * X  +  -0.741892 * Y  +  -0.313625 * Z  +  72.802948
  Z_new =   0.411451 * X  +   0.055887 * Y  +  -0.909717 * Z  +  80.058365 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.707904 -0.424046  3.080236   [DEG:  -40.5599  -24.2960  176.4845 ]
ZXZ:  0.714677  2.713398  1.435793   [DEG:   40.9480  155.4662   82.2649 ]
 
# END of job
