
#######################################################
#                                                     #
#                        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  158 ( 1268),  selected  157 , name one
# Molecule2: number of CA atoms  157 ( 1259),  selected  157 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48     110_A - 157_A       4.76    23.54
  LCS_AVERAGE:     27.05

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      30_A - 57_A        1.95    17.94
  LCS_AVERAGE:     12.90

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      30_A - 49_A        0.94    16.62
  LONGEST_CONTINUOUS_SEGMENT:    20      88_A - 107_A       0.95    19.63
  LCS_AVERAGE:      8.90

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  157
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     L     1_A     L     1_A      3   26   31      0    3   13   16   20   24   26   27   27   29   29   29   31   33   35   41   43   49   52   55 
LCS_GDT     S     2_A     S     2_A     11   26   31      9   10   13   19   23   25   26   27   27   29   29   29   31   35   39   42   46   50   53   57 
LCS_GDT     D     3_A     D     3_A     11   26   31      9   10   17   19   23   25   26   27   27   29   29   29   30   30   32   36   46   49   51   57 
LCS_GDT     R     4_A     R     4_A     11   26   31      9   10   10   17   23   25   26   27   27   29   29   29   30   30   31   33   36   39   50   52 
LCS_GDT     E     5_A     E     5_A     11   26   31      9   10   13   19   23   25   26   27   27   29   29   29   31   34   38   44   47   51   53   55 
LCS_GDT     L     6_A     L     6_A     11   26   31      9   14   17   20   23   25   26   27   27   29   29   32   37   38   45   47   50   51   53   55 
LCS_GDT     E     7_A     E     7_A     11   26   31      9   10   17   20   23   25   26   27   27   29   29   29   31   33   35   41   43   49   53   55 
LCS_GDT     A     8_A     A     8_A     11   26   42      9   14   17   20   23   25   26   27   27   29   29   29   30   33   35   41   46   51   53   55 
LCS_GDT     S     9_A     S     9_A     17   26   44      9   10   10   20   23   25   26   27   27   31   35   38   42   44   46   49   50   51   53   55 
LCS_GDT     L    10_A     L    10_A     17   26   44      9   12   16   20   23   25   26   27   27   31   35   38   42   44   46   49   50   51   53   55 
LCS_GDT     Q    11_A     Q    11_A     17   26   44      4   12   16   20   23   25   26   27   27   29   32   36   42   44   46   49   50   51   53   55 
LCS_GDT     A    12_A     A    12_A     17   26   44      4   14   16   20   23   25   26   27   27   31   35   38   42   44   46   49   50   51   53   55 
LCS_GDT     F    13_A     F    13_A     17   26   44     10   14   17   20   23   25   26   27   31   34   36   38   42   44   46   49   50   51   53   55 
LCS_GDT     F    14_A     F    14_A     17   26   44     10   14   17   20   23   25   26   27   27   29   32   36   42   44   46   49   50   51   53   55 
LCS_GDT     E    15_A     E    15_A     17   26   44     10   14   17   20   23   25   26   27   27   29   29   35   42   44   46   49   50   51   53   55 
LCS_GDT     V    16_A     V    16_A     17   26   44     10   14   17   20   23   25   26   27   31   34   36   38   42   44   46   49   50   51   53   55 
LCS_GDT     H    17_A     H    17_A     17   26   44     10   14   17   20   23   25   26   28   31   34   36   38   42   44   46   49   50   51   53   58 
LCS_GDT     T    18_A     T    18_A     17   26   44     10   14   17   20   23   25   26   27   27   29   32   38   42   44   46   49   50   51   53   58 
LCS_GDT     R    19_A     R    19_A     17   26   44     10   14   17   20   23   25   26   27   27   32   36   38   42   44   46   49   50   51   53   55 
LCS_GDT     L    20_A     L    20_A     17   26   44     10   14   17   20   23   25   26   28   31   34   36   38   42   44   46   49   50   51   54   61 
LCS_GDT     V    21_A     V    21_A     17   26   44     10   14   17   20   23   25   26   28   31   34   36   38   42   44   46   49   52   61   65   70 
LCS_GDT     H    22_A     H    22_A     17   26   44      6   14   17   20   23   25   26   27   31   34   36   38   42   44   46   49   50   53   57   66 
LCS_GDT     R    23_A     R    23_A     17   26   44      8   14   17   20   23   25   26   27   31   34   36   38   42   44   46   49   50   53   57   61 
LCS_GDT     L    24_A     L    24_A     17   26   44     10   14   17   20   23   25   26   27   29   34   36   38   42   44   46   49   54   61   65   70 
LCS_GDT     A    25_A     A    25_A     17   26   44     10   14   17   20   23   25   26   28   31   34   36   38   42   44   46   55   59   61   65   70 
LCS_GDT     G    26_A     G    26_A     15   26   44      3    5    6   14   23   25   26   28   31   34   36   38   42   44   46   49   55   61   65   70 
LCS_GDT     I    27_A     I    27_A      5   23   44      3    5    6   11   20   23   26   28   31   34   36   38   42   44   48   55   59   61   65   70 
LCS_GDT     E    28_A     E    28_A      5   25   45      3    5    5    8   11   22   26   28   30   34   36   39   42   49   52   56   59   61   65   70 
LCS_GDT     P    29_A     P    29_A      5   27   45      3    5   15   20   22   23   26   28   31   34   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     D    30_A     D    30_A     20   28   45      3    4   19   21   24   28   31   35   35   37   37   39   42   49   52   56   59   61   64   69 
LCS_GDT     P    31_A     P    31_A     20   28   45     14   16   19   21   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     R    32_A     R    32_A     20   28   45     14   16   19   21   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     F    33_A     F    33_A     20   28   45     14   16   19   21   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     E    34_A     E    34_A     20   28   45     14   16   19   21   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     I    35_A     I    35_A     20   28   45     14   16   19   21   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     L    36_A     L    36_A     20   28   45     14   16   19   21   24   28   31   35   35   37   37   40   43   49   52   56   59   61   65   70 
LCS_GDT     D    37_A     D    37_A     20   28   45     14   16   19   21   24   28   31   35   35   37   40   41   43   49   52   56   59   61   65   70 
LCS_GDT     K    38_A     K    38_A     20   28   45     14   16   19   21   24   28   31   35   35   37   40   41   43   49   52   56   59   61   65   70 
LCS_GDT     Y    39_A     Y    39_A     20   28   45     14   16   19   21   24   28   31   35   35   37   37   43   44   49   52   56   59   61   65   70 
LCS_GDT     I    40_A     I    40_A     20   28   45     14   16   19   21   24   28   31   35   35   38   40   43   44   49   52   56   59   61   65   70 
LCS_GDT     F    41_A     F    41_A     20   28   45     14   16   19   21   24   28   31   35   35   38   40   43   44   49   52   56   59   61   65   70 
LCS_GDT     R    42_A     R    42_A     20   28   45     14   16   19   21   24   28   31   35   35   37   39   43   44   49   52   56   59   61   65   70 
LCS_GDT     Q    43_A     Q    43_A     20   28   45     14   16   19   21   24   28   31   35   35   37   37   39   42   47   52   56   59   61   65   70 
LCS_GDT     I    44_A     I    44_A     20   28   45     14   16   19   21   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     V    45_A     V    45_A     20   28   45     11   16   19   21   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     A    46_A     A    46_A     20   28   45     14   16   19   21   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     D    47_A     D    47_A     20   28   45      3    6   18   20   23   26   28   31   35   37   37   39   42   44   49   56   59   61   65   70 
LCS_GDT     N    48_A     N    48_A     20   28   45      3   16   19   21   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     P    49_A     P    49_A     20   28   45      4    6   18   20   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     E    50_A     E    50_A      6   28   45      4    6   13   20   22   23   30   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     E    51_A     E    51_A     12   28   45      9   13   14   19   23   26   30   35   35   37   37   39   41   47   52   56   59   61   65   70 
LCS_GDT     R    52_A     R    52_A     12   28   45      9   13   19   21   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     E    53_A     E    53_A     12   28   45      9   13   14   21   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     K    54_A     K    54_A     12   28   45      9   13   19   21   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     I    55_A     I    55_A     12   28   45      9   13   14   21   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     R    56_A     R    56_A     12   28   45      9   13   14   16   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     L    57_A     L    57_A     12   28   45      9   13   14   16   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     D    58_A     D    58_A     12   21   45      9   13   14   16   24   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     Y    59_A     Y    59_A     12   21   45      4   13   14   16   19   23   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     G    60_A     G    60_A     12   21   45      9   13   14   16   19   23   30   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     R    61_A     R    61_A     12   21   45      4   13   14   16   23   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     A    62_A     A    62_A     12   21   45      4   13   14   16   20   28   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     A    63_A     A    63_A      9   21   45      4    4   10   16   20   27   31   35   35   37   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     E    64_A     E    64_A      9   12   45      7    8   10   10   11   12   13   18   22   29   37   39   42   49   52   56   59   61   65   70 
LCS_GDT     I    65_A     I    65_A      9   12   45      7    8   10   10   11   12   13   18   21   21   28   34   41   43   49   56   59   61   65   70 
LCS_GDT     F    66_A     F    66_A      9   12   45      3    8   10   10   11   12   13   18   21   21   24   29   36   42   49   55   59   61   65   70 
LCS_GDT     R    67_A     R    67_A      9   12   45      7    8   10   10   11   12   13   18   21   22   29   38   41   43   52   56   59   61   65   70 
LCS_GDT     D    68_A     D    68_A      9   12   45      7    8   10   10   11   12   13   18   21   22   26   37   41   43   49   55   59   61   65   70 
LCS_GDT     A    69_A     A    69_A      9   12   45      7    8   10   10   11   12   13   18   21   21   24   28   33   42   49   55   59   61   65   70 
LCS_GDT     L    70_A     L    70_A      9   12   45      7    8   10   10   11   12   13   18   21   21   24   28   36   42   49   55   59   61   65   70 
LCS_GDT     A    71_A     A    71_A      9   12   45      7    8   10   10   11   12   13   18   21   21   24   28   36   43   49   55   59   61   65   70 
LCS_GDT     R    72_A     R    72_A      9   12   45      3    7   10   10   11   12   13   17   20   21   24   28   34   43   49   55   59   61   65   70 
LCS_GDT     D    73_A     D    73_A      4   12   26      3    4    5    6   10   11   13   14   16   17   20   24   27   31   33   36   48   55   62   65 
LCS_GDT     I    74_A     I    74_A      4   12   28      3    6   10   10   10   12   13   14   17   21   23   27   28   31   33   36   51   57   61   65 
LCS_GDT     T    75_A     T    75_A      4   13   34      3    4    5    7   12   14   16   16   17   21   24   27   29   34   37   47   55   61   63   66 
LCS_GDT     T    76_A     T    76_A     11   13   34      7   10   11   12   13   15   16   17   21   21   24   27   29   34   39   47   55   61   63   67 
LCS_GDT     P    77_A     P    77_A     11   13   34      7   10   11   12   13   15   19   22   24   25   28   30   36   42   49   55   59   61   65   70 
LCS_GDT     E    78_A     E    78_A     11   13   34      7   10   11   12   13   15   16   17   18   24   28   30   36   41   49   55   59   61   65   70 
LCS_GDT     A    79_A     A    79_A     11   13   34      7   10   11   12   13   15   16   18   21   21   24   28   32   39   48   55   59   61   65   70 
LCS_GDT     F    80_A     F    80_A     11   13   34      7   10   11   12   13   16   21   23   24   26   28   29   32   37   44   54   59   61   65   70 
LCS_GDT     N    81_A     N    81_A     11   13   34      7   10   11   12   13   17   20   22   24   26   28   29   30   37   42   48   53   61   65   70 
LCS_GDT     A    82_A     A    82_A     11   13   34      7   10   11   12   13   15   16   19   23   25   28   29   31   37   42   48   53   61   65   70 
LCS_GDT     Y    83_A     Y    83_A     11   13   34      5   10   11   12   13   15   16   18   23   25   28   29   32   37   40   44   49   54   64   69 
LCS_GDT     L    84_A     L    84_A     11   13   34      5   10   11   12   13   15   21   23   24   26   28   30   32   37   40   44   46   50   57   63 
LCS_GDT     E    85_A     E    85_A     11   13   34      5   10   11   12   13   15   20   22   24   26   28   29   30   32   34   38   44   49   57   63 
LCS_GDT     A    86_A     A    86_A     11   22   34      4   10   11   12   15   20   21   23   24   26   28   30   32   37   40   44   46   51   57   63 
LCS_GDT     L    87_A     L    87_A     19   22   34      4    7   14   18   21   22   22   24   24   27   29   30   33   36   40   44   46   50   54   59 
LCS_GDT     G    88_A     G    88_A     20   22   34      6   15   18   20   21   22   22   24   26   28   30   31   34   37   40   44   46   50   57   61 
LCS_GDT     P    89_A     P    89_A     20   22   34      7   15   19   20   21   22   23   24   26   28   30   31   34   37   40   44   49   53   57   65 
LCS_GDT     D    90_A     D    90_A     20   22   34      8   15   19   20   21   22   23   24   26   28   30   31   34   37   40   45   49   53   57   62 
LCS_GDT     A    91_A     A    91_A     20   22   34      7   15   19   20   21   22   23   24   26   28   30   31   34   37   40   45   49   53   57   65 
LCS_GDT     V    92_A     V    92_A     20   22   34      8   15   19   20   21   22   23   24   26   28   30   31   34   37   40   45   49   56   63   69 
LCS_GDT     R    93_A     R    93_A     20   22   34      8   15   19   20   21   22   23   24   26   28   30   31   34   37   40   45   49   57   64   69 
LCS_GDT     T    94_A     T    94_A     20   22   34      8   15   19   20   21   22   23   24   26   28   30   31   34   37   40   45   49   53   62   69 
LCS_GDT     V    95_A     V    95_A     20   22   34      8   15   19   20   21   22   23   24   26   28   30   34   35   38   40   45   53   60   65   70 
LCS_GDT     Q    96_A     Q    96_A     20   22   34      8   15   19   20   21   22   23   24   26   29   32   34   35   39   44   51   57   61   65   70 
LCS_GDT     D    97_A     D    97_A     20   22   34      7   15   19   20   21   22   23   24   26   28   30   31   34   37   40   48   51   60   64   70 
LCS_GDT     L    98_A     L    98_A     20   22   34      8   15   19   20   21   22   23   25   27   28   30   31   34   37   40   48   53   60   64   70 
LCS_GDT     T    99_A     T    99_A     20   22   34      8   15   19   20   21   26   28   30   35   37   37   39   41   43   52   56   59   61   65   70 
LCS_GDT     R   100_A     R   100_A     20   22   34      7   15   19   20   21   22   31   35   35   37   37   39   42   49   52   56   57   60   64   70 
LCS_GDT     R   101_A     R   101_A     20   22   34      7   15   19   20   21   22   23   27   27   29   31   34   42   49   52   56   57   60   64   69 
LCS_GDT     F   102_A     F   102_A     20   22   34      7   15   19   20   21   22   23   35   35   37   37   38   42   49   52   56   57   60   64   70 
LCS_GDT     V   103_A     V   103_A     20   22   34      7   15   19   20   21   22   23   24   27   31   31   37   42   49   52   56   57   60   64   69 
LCS_GDT     D   104_A     D   104_A     20   22   34      7   15   19   20   21   22   23   24   26   28   30   37   42   49   52   56   57   59   62   66 
LCS_GDT     V   105_A     V   105_A     20   22   34      7   15   19   20   21   22   23   25   27   29   30   33   38   43   48   53   56   58   62   62 
LCS_GDT     I   106_A     I   106_A     20   22   34      7   13   19   20   21   22   23   24   26   28   30   31   34   43   48   49   53   58   62   62 
LCS_GDT     R   107_A     R   107_A     20   22   34      5   11   19   20   21   22   23   24   26   28   30   31   34   37   40   44   46   50   59   61 
LCS_GDT     A   108_A     A   108_A      3   22   34      3    3    4    8   12   14   17   21   26   28   30   34   42   49   52   56   57   59   62   67 
LCS_GDT     D   109_A     D   109_A     10   11   34      9   10   10   11   14   15   17   18   22   26   30   34   42   49   52   56   57   59   62   66 
LCS_GDT     P   110_A     P   110_A     10   11   48      9   10   10   11   14   15   17   18   22   26   30   37   42   49   52   56   57   59   62   62 
LCS_GDT     E   111_A     E   111_A     10   11   48      9   10   10   11   14   15   17   18   22   26   30   35   41   49   52   56   57   59   62   62 
LCS_GDT     A   112_A     A   112_A     10   11   48      9   10   10   11   14   15   17   23   29   32   37   41   43   49   52   56   57   59   62   66 
LCS_GDT     I   113_A     I   113_A     10   11   48      9   10   10   11   14   15   17   18   22   26   33   39   43   49   52   56   57   59   62   66 
LCS_GDT     A   114_A     A   114_A     10   11   48      9   10   10   11   14   15   17   18   23   32   39   43   44   49   52   56   57   59   62   66 
LCS_GDT     K   115_A     K   115_A     10   11   48      9   10   10   12   16   22   27   31   34   37   39   43   44   47   52   56   57   59   62   66 
LCS_GDT     L   116_A     L   116_A     10   11   48      9   10   10   13   18   24   27   32   35   38   40   43   44   49   52   56   57   59   62   66 
LCS_GDT     L   117_A     L   117_A     10   11   48      9   10   10   11   14   19   25   31   35   38   40   43   44   49   52   56   57   59   62   66 
LCS_GDT     N   118_A     N   118_A     10   11   48      8   10   10   12   18   24   27   32   35   38   40   43   44   49   52   56   57   59   62   66 
LCS_GDT     I   119_A     I   119_A      3    4   48      3    3    7   12   16   22   27   30   34   37   39   43   44   47   49   54   57   60   64   69 
LCS_GDT     S   120_A     S   120_A      7    9   48      5    6    9   10   10   12   16   18   21   27   30   35   40   43   48   50   52   53   60   62 
LCS_GDT     K   121_A     K   121_A      7    9   48      3    6    9   10   10   12   16   19   26   33   39   43   44   47   49   51   53   56   60   62 
LCS_GDT     E   122_A     E   122_A      7    9   48      5    6    9   10   10   13   16   24   27   33   38   43   44   47   49   52   58   61   64   70 
LCS_GDT     D   123_A     D   123_A      7    9   48      5    6    9   10   10   13   17   24   27   33   39   43   44   47   49   54   59   61   65   70 
LCS_GDT     V   124_A     V   124_A      7    9   48      5    6    9   10   12   22   27   32   35   38   40   43   44   47   49   55   59   61   65   70 
LCS_GDT     Q   125_A     Q   125_A      7    9   48      5    6    9   12   16   22   27   32   35   38   40   43   44   47   49   55   59   61   65   70 
LCS_GDT     G   126_A     G   126_A      7   13   48      3    5    9   13   18   25   28   32   35   38   40   43   44   47   49   55   59   61   65   70 
LCS_GDT     L   127_A     L   127_A     12   13   48     10   12   12   13   13   22   26   32   33   36   40   43   44   47   49   55   59   61   65   70 
LCS_GDT     A   128_A     A   128_A     12   13   48     11   12   12   13   17   25   28   32   35   38   40   43   44   47   49   51   53   56   62   65 
LCS_GDT     R   129_A     R   129_A     12   13   48     11   12   12   13   18   25   28   32   35   38   40   43   44   47   49   51   53   56   60   62 
LCS_GDT     A   130_A     A   130_A     12   13   48     11   12   12   13   13   25   28   32   35   38   40   43   44   47   49   51   53   56   62   67 
LCS_GDT     G   131_A     G   131_A     12   13   48     11   12   12   13   14   25   28   32   35   38   40   43   44   47   49   51   53   56   62   65 
LCS_GDT     E   132_A     E   132_A     12   13   48     11   12   12   13   18   25   28   32   35   38   40   43   44   47   49   51   53   56   60   62 
LCS_GDT     A   133_A     A   133_A     12   13   48     11   12   12   14   18   25   28   32   35   38   40   43   44   47   49   51   53   56   60   62 
LCS_GDT     A   134_A     A   134_A     12   13   48     11   12   12   13   16   25   28   32   35   38   40   43   44   47   49   51   53   56   60   62 
LCS_GDT     I   135_A     I   135_A     12   13   48     11   12   12   13   15   23   28   32   35   38   40   43   44   47   49   51   53   56   60   62 
LCS_GDT     E   136_A     E   136_A     12   20   48     11   12   12   13   18   25   28   32   35   38   40   43   44   47   49   51   53   56   60   62 
LCS_GDT     R   137_A     R   137_A     12   20   48     11   12   12   13   18   25   28   32   35   38   40   43   44   47   49   51   53   56   60   62 
LCS_GDT     G   138_A     G   138_A     12   20   48     11   12   12   13   13   17   28   32   35   38   40   43   44   47   49   51   53   56   60   62 
LCS_GDT     E   139_A     E   139_A      3   20   48      3    3    6   11   17   25   28   32   35   38   40   43   44   47   49   51   53   56   60   62 
LCS_GDT     G   140_A     G   140_A     17   20   48      7   15   16   18   20   25   28   32   35   38   40   43   44   47   49   51   53   56   60   62 
LCS_GDT     A   141_A     A   141_A     17   20   48      9   15   16   18   20   25   28   32   35   38   40   43   44   47   49   51   53   56   60   62 
LCS_GDT     S   142_A     S   142_A     17   20   48     10   15   16   18   20   25   28   32   35   38   40   43   44   47   49   51   53   56   60   62 
LCS_GDT     L   143_A     L   143_A     17   20   48     10   15   16   18   20   25   28   32   35   38   40   43   44   47   49   51   53   56   60   62 
LCS_GDT     G   144_A     G   144_A     17   20   48     10   15   16   18   20   25   28   32   35   38   40   43   44   47   49   51   53   56   60   62 
LCS_GDT     V   145_A     V   145_A     17   20   48     10   15   16   18   20   25   28   32   35   38   40   43   44   47   49   51   54   61   65   69 
LCS_GDT     L   146_A     L   146_A     17   20   48     10   15   16   18   20   25   28   32   35   38   40   43   44   47   49   51   53   58   64   69 
LCS_GDT     R   147_A     R   147_A     17   20   48     10   15   16   18   20   25   28   32   35   38   40   43   44   47   49   51   53   56   60   62 
LCS_GDT     E   148_A     E   148_A     17   20   48     10   15   16   18   20   25   28   32   35   38   40   43   44   47   49   51   53   61   65   70 
LCS_GDT     L   149_A     L   149_A     17   20   48     10   15   16   18   20   25   28   32   35   38   40   43   44   47   49   55   59   61   65   70 
LCS_GDT     R   150_A     R   150_A     17   20   48     10   15   16   18   20   25   28   32   35   38   40   43   44   47   49   51   53   58   64   69 
LCS_GDT     K   151_A     K   151_A     17   20   48     10   15   16   18   20   25   28   32   35   38   40   43   44   47   49   51   53   59   64   70 
LCS_GDT     I   152_A     I   152_A     17   20   48     10   15   16   18   20   25   28   32   35   38   40   43   44   47   49   55   59   61   65   70 
LCS_GDT     E   153_A     E   153_A     17   20   48      6   15   16   18   20   25   28   32   35   38   40   43   44   47   49   51   55   60   64   70 
LCS_GDT     K   154_A     K   154_A     17   20   48      6   14   16   18   20   25   28   32   35   38   40   43   44   47   49   51   53   56   64   69 
LCS_GDT     K   155_A     K   155_A     17   20   48      3   15   16   18   20   25   28   32   35   38   40   43   44   47   49   51   55   60   64   70 
LCS_GDT     R   156_A     R   156_A     17   20   48      3    3   15   18   20   20   22   27   33   38   40   43   44   47   49   51   53   60   64   69 
LCS_GDT     N   157_A     N   157_A     12   20   48      3    3    4   15   20   20   21   31   33   38   40   43   44   47   49   51   52   56   60   63 
LCS_AVERAGE  LCS_A:  16.28  (   8.90   12.90   27.05 )

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     14     16     19     21     24     28     31     35     35     38     40     43     44     49     52     56     59     61     65     70 
GDT PERCENT_AT   8.92  10.19  12.10  13.38  15.29  17.83  19.75  22.29  22.29  24.20  25.48  27.39  28.03  31.21  33.12  35.67  37.58  38.85  41.40  44.59
GDT RMS_LOCAL    0.32   0.37   0.86   1.11   1.76   2.07   2.31   2.55   2.55   3.09   3.28   3.53   3.65   6.81   5.31   5.51   6.24   6.31   6.81   7.12
GDT RMS_ALL_AT  16.54  16.63  19.61  17.54  18.51  19.01  19.38  19.57  19.57  22.38  22.24  22.88  22.97  20.01  19.80  19.80  16.64  16.60  16.23  16.06

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  F    13_A      F    13_A
#   possible swapping detected:  F    14_A      F    14_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  D    30_A      D    30_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  D    37_A      D    37_A
#   possible swapping detected:  Y    39_A      Y    39_A
#   possible swapping detected:  D    47_A      D    47_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  D    58_A      D    58_A
#   possible swapping detected:  Y    59_A      Y    59_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  D    68_A      D    68_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  E    78_A      E    78_A
#   possible swapping detected:  D    90_A      D    90_A
#   possible swapping detected:  F   102_A      F   102_A
#   possible swapping detected:  D   109_A      D   109_A
#   possible swapping detected:  E   111_A      E   111_A
#   possible swapping detected:  E   122_A      E   122_A
#   possible swapping detected:  E   139_A      E   139_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     1_A      L     1_A    38.093     0    0.111   1.173    42.358    0.000    0.000
LGA    S     2_A      S     2_A    33.967     0    0.610   0.606    35.855    0.000    0.000
LGA    D     3_A      D     3_A    31.718     0    0.022   1.292    32.880    0.000    0.000
LGA    R     4_A      R     4_A    35.506     0    0.037   1.680    41.685    0.000    0.000
LGA    E     5_A      E     5_A    34.450     0    0.034   1.132    38.438    0.000    0.000
LGA    L     6_A      L     6_A    28.302     0    0.055   0.153    30.468    0.000    0.000
LGA    E     7_A      E     7_A    29.658     0    0.018   1.331    31.003    0.000    0.000
LGA    A     8_A      A     8_A    34.253     0    0.032   0.032    36.285    0.000    0.000
LGA    S     9_A      S     9_A    31.492     0    0.089   0.753    32.258    0.000    0.000
LGA    L    10_A      L    10_A    26.800     0    0.266   0.230    28.474    0.000    0.000
LGA    Q    11_A      Q    11_A    31.159     0    0.025   1.257    38.805    0.000    0.000
LGA    A    12_A      A    12_A    31.700     0    0.074   0.093    32.859    0.000    0.000
LGA    F    13_A      F    13_A    24.476     0    0.086   1.455    26.921    0.000    0.000
LGA    F    14_A      F    14_A    23.632     0    0.035   1.360    24.924    0.000    0.000
LGA    E    15_A      E    15_A    28.759     0    0.101   0.276    37.541    0.000    0.000
LGA    V    16_A      V    16_A    26.901     0    0.060   1.114    28.168    0.000    0.000
LGA    H    17_A      H    17_A    20.116     0    0.046   0.543    22.584    0.000    0.000
LGA    T    18_A      T    18_A    21.297     0    0.049   0.097    25.149    0.000    0.000
LGA    R    19_A      R    19_A    26.301     0    0.058   1.230    38.106    0.000    0.000
LGA    L    20_A      L    20_A    23.854     0    0.052   1.424    25.145    0.000    0.000
LGA    V    21_A      V    21_A    18.266     0    0.046   1.190    20.063    0.000    0.000
LGA    H    22_A      H    22_A    21.779     0    0.099   0.698    23.351    0.000    0.000
LGA    R    23_A      R    23_A    26.072     0    0.063   1.757    36.692    0.000    0.000
LGA    L    24_A      L    24_A    22.428     0    0.079   0.086    23.837    0.000    0.000
LGA    A    25_A      A    25_A    18.972     0    0.699   0.645    21.481    0.000    0.000
LGA    G    26_A      G    26_A    22.121     0    0.380   0.380    22.121    0.000    0.000
LGA    I    27_A      I    27_A    16.206     0    0.317   1.049    17.871    0.000    0.000
LGA    E    28_A      E    28_A    11.930     0    0.297   1.096    13.913    0.833    0.370
LGA    P    29_A      P    29_A     9.077     0    0.625   0.628    11.902    4.167    2.381
LGA    D    30_A      D    30_A     2.599     0    0.261   1.236     5.919   50.833   49.940
LGA    P    31_A      P    31_A     1.386     0    0.169   0.682     2.945   83.810   73.469
LGA    R    32_A      R    32_A     1.551     0    0.079   1.566     8.392   75.238   48.312
LGA    F    33_A      F    33_A     3.097     0    0.080   0.406     9.443   57.500   28.312
LGA    E    34_A      E    34_A     2.676     0    0.054   0.132     5.407   65.000   47.884
LGA    I    35_A      I    35_A     0.966     0    0.054   0.083     3.285   88.214   72.857
LGA    L    36_A      L    36_A     2.635     0    0.055   1.398     8.172   62.976   41.786
LGA    D    37_A      D    37_A     3.279     0    0.067   0.778     7.925   57.262   36.726
LGA    K    38_A      K    38_A     1.966     0    0.069   0.893     2.658   77.143   73.069
LGA    Y    39_A      Y    39_A     1.424     0    0.019   0.197     5.459   79.405   54.802
LGA    I    40_A      I    40_A     2.600     0    0.056   0.101     4.868   64.881   51.071
LGA    F    41_A      F    41_A     2.083     0    0.046   0.996     6.287   75.119   47.143
LGA    R    42_A      R    42_A     1.573     0    0.040   0.905     7.821   75.238   43.636
LGA    Q    43_A      Q    43_A     3.229     0    0.083   0.806     4.964   52.024   45.185
LGA    I    44_A      I    44_A     2.959     0    0.100   1.264     7.081   60.952   47.202
LGA    V    45_A      V    45_A     0.869     0    0.083   1.188     3.215   83.690   79.524
LGA    A    46_A      A    46_A     2.694     0    0.609   0.568     3.659   57.500   54.667
LGA    D    47_A      D    47_A     5.456     0    0.298   0.333     9.383   32.976   19.286
LGA    N    48_A      N    48_A     3.022     0    0.394   0.444     4.602   55.833   47.381
LGA    P    49_A      P    49_A     2.116     0    0.186   0.373     3.352   67.024   66.327
LGA    E    50_A      E    50_A     3.653     0    0.180   0.952     5.493   43.810   37.037
LGA    E    51_A      E    51_A     3.510     0    0.290   1.104     7.785   53.810   36.720
LGA    R    52_A      R    52_A     1.336     0    0.033   0.906     4.210   79.524   68.182
LGA    E    53_A      E    53_A     2.195     0    0.047   0.727     4.959   70.833   51.005
LGA    K    54_A      K    54_A     1.726     0    0.053   0.186     2.374   79.405   75.873
LGA    I    55_A      I    55_A     1.015     0    0.051   0.716     4.270   85.952   72.917
LGA    R    56_A      R    56_A     1.731     0    0.072   1.833     8.550   71.310   46.667
LGA    L    57_A      L    57_A     2.406     0    0.094   0.989     3.626   70.833   66.250
LGA    D    58_A      D    58_A     1.161     0    0.112   0.335     1.976   79.405   79.345
LGA    Y    59_A      Y    59_A     3.469     0    0.026   1.571    12.372   48.452   22.897
LGA    G    60_A      G    60_A     3.800     0    0.038   0.038     3.800   46.667   46.667
LGA    R    61_A      R    61_A     1.806     0    0.067   1.738     6.707   66.786   55.411
LGA    A    62_A      A    62_A     2.623     0    0.126   0.125     3.063   57.262   58.762
LGA    A    63_A      A    63_A     3.368     0    0.329   0.350     6.480   38.929   44.095
LGA    E    64_A      E    64_A     7.210     0    0.522   0.937    11.805   14.048    7.354
LGA    I    65_A      I    65_A     8.634     0    0.055   1.123    11.470    2.619    2.202
LGA    F    66_A      F    66_A    10.216     0    0.182   0.482    12.183    0.357    0.130
LGA    R    67_A      R    67_A     9.658     0    0.475   1.069    12.740    0.714    0.260
LGA    D    68_A      D    68_A    10.548     0    0.067   0.196    12.324    0.119    0.655
LGA    A    69_A      A    69_A    12.651     0    0.061   0.056    14.392    0.000    0.000
LGA    L    70_A      L    70_A    13.194     0    0.140   0.278    14.305    0.000    0.000
LGA    A    71_A      A    71_A    13.440     0    0.144   0.165    15.542    0.000    0.000
LGA    R    72_A      R    72_A    13.364     0    0.513   1.048    14.460    0.000    0.000
LGA    D    73_A      D    73_A    14.684     0    0.342   1.365    16.914    0.000    0.000
LGA    I    74_A      I    74_A    15.070     0    0.540   1.347    15.832    0.000    0.000
LGA    T    75_A      T    75_A    14.085     0    0.548   1.360    15.444    0.000    0.000
LGA    T    76_A      T    76_A    16.285     0    0.632   0.584    20.468    0.000    0.000
LGA    P    77_A      P    77_A    14.003     0    0.053   0.559    15.454    0.000    0.000
LGA    E    78_A      E    78_A    14.707     0    0.047   1.448    17.503    0.000    0.000
LGA    A    79_A      A    79_A    18.626     0    0.057   0.058    21.222    0.000    0.000
LGA    F    80_A      F    80_A    19.737     0    0.081   1.137    22.190    0.000    0.000
LGA    N    81_A      N    81_A    20.318     0    0.058   0.115    23.465    0.000    0.000
LGA    A    82_A      A    82_A    23.054     0    0.225   0.235    25.593    0.000    0.000
LGA    Y    83_A      Y    83_A    26.003     0    0.102   1.146    30.230    0.000    0.000
LGA    L    84_A      L    84_A    27.542     0    0.067   0.282    30.961    0.000    0.000
LGA    E    85_A      E    85_A    29.853     0    0.054   1.169    33.083    0.000    0.000
LGA    A    86_A      A    86_A    31.347     0    0.158   0.163    33.519    0.000    0.000
LGA    L    87_A      L    87_A    33.491     0    0.157   0.345    35.732    0.000    0.000
LGA    G    88_A      G    88_A    33.191     0    0.026   0.026    33.191    0.000    0.000
LGA    P    89_A      P    89_A    28.983     0    0.065   0.102    33.395    0.000    0.000
LGA    D    90_A      D    90_A    27.602     0    0.036   1.124    30.370    0.000    0.000
LGA    A    91_A      A    91_A    25.273     0    0.047   0.047    26.781    0.000    0.000
LGA    V    92_A      V    92_A    22.082     0    0.065   0.070    24.961    0.000    0.000
LGA    R    93_A      R    93_A    19.206     0    0.053   1.774    23.837    0.000    0.000
LGA    T    94_A      T    94_A    18.988     0    0.051   0.052    22.909    0.000    0.000
LGA    V    95_A      V    95_A    15.128     0    0.027   0.037    18.333    0.000    0.000
LGA    Q    96_A      Q    96_A    11.699     0    0.028   1.056    16.318    1.190    0.529
LGA    D    97_A      D    97_A    10.994     0    0.048   1.194    15.245    0.833    0.417
LGA    L    98_A      L    98_A     9.379     0    0.079   1.011    13.905    8.214    4.167
LGA    T    99_A      T    99_A     5.680     0    0.093   0.237     9.149   32.976   21.905
LGA    R   100_A      R   100_A     3.078     0    0.075   1.749     6.500   40.476   32.727
LGA    R   101_A      R   101_A     7.043     0    0.046   0.999    14.299   13.929    5.325
LGA    F   102_A      F   102_A     4.066     0    0.121   0.371     6.332   27.976   34.589
LGA    V   103_A      V   103_A     6.593     0    0.027   0.204     9.758   12.500   11.633
LGA    D   104_A      D   104_A     9.643     0    0.046   1.191    13.028    1.905    3.214
LGA    V   105_A      V   105_A    11.727     0    0.044   0.057    14.379    0.000    0.000
LGA    I   106_A      I   106_A    12.656     0    0.625   0.595    15.876    0.000    0.179
LGA    R   107_A      R   107_A    16.129     0    0.098   1.310    23.297    0.000    0.000
LGA    A   108_A      A   108_A    12.134     0    0.639   0.606    12.864    0.000    0.000
LGA    D   109_A      D   109_A    13.811     0    0.391   0.983    18.290    0.000    0.000
LGA    P   110_A      P   110_A    13.882     0    0.077   0.329    14.927    0.000    0.000
LGA    E   111_A      E   111_A    15.292     0    0.051   1.256    16.487    0.000    0.000
LGA    A   112_A      A   112_A    14.141     0    0.085   0.077    14.423    0.000    0.000
LGA    I   113_A      I   113_A    12.372     0    0.037   0.656    13.116    0.000    0.060
LGA    A   114_A      A   114_A    13.337     0    0.039   0.038    13.867    0.000    0.000
LGA    K   115_A      K   115_A    14.810     0    0.040   0.273    18.599    0.000    0.000
LGA    L   116_A      L   116_A    12.893     0    0.123   1.062    13.570    0.000    0.000
LGA    L   117_A      L   117_A    12.295     0    0.170   0.275    13.412    0.000    0.417
LGA    N   118_A      N   118_A    13.966     0    0.459   1.167    16.782    0.000    0.000
LGA    I   119_A      I   119_A    14.901     0    0.537   1.337    17.890    0.000    0.000
LGA    S   120_A      S   120_A    14.049     0    0.654   0.894    17.984    0.000    0.000
LGA    K   121_A      K   121_A     9.296     0    0.285   0.647    13.487    1.905    1.376
LGA    E   122_A      E   122_A    12.187     0    0.063   0.855    14.579    0.000    0.000
LGA    D   123_A      D   123_A    14.366     0    0.084   1.155    19.361    0.000    0.000
LGA    V   124_A      V   124_A     9.866     0    0.080   0.140    11.552    0.119    3.197
LGA    Q   125_A      Q   125_A    11.902     0    0.679   1.148    15.735    0.000    0.000
LGA    G   126_A      G   126_A    16.617     0    0.245   0.245    18.933    0.000    0.000
LGA    L   127_A      L   127_A    15.052     0    0.082   0.163    15.631    0.000    0.000
LGA    A   128_A      A   128_A    16.748     0    0.121   0.114    20.498    0.000    0.000
LGA    R   129_A      R   129_A    22.243     0    0.051   1.626    25.361    0.000    0.000
LGA    A   130_A      A   130_A    23.771     0    0.067   0.069    25.696    0.000    0.000
LGA    G   131_A      G   131_A    21.929     0    0.073   0.073    24.822    0.000    0.000
LGA    E   132_A      E   132_A    25.772     0    0.034   0.963    29.596    0.000    0.000
LGA    A   133_A      A   133_A    30.851     0    0.051   0.049    33.302    0.000    0.000
LGA    A   134_A      A   134_A    30.271     0    0.017   0.018    32.200    0.000    0.000
LGA    I   135_A      I   135_A    29.386     0    0.061   0.086    33.150    0.000    0.000
LGA    E   136_A      E   136_A    34.974     0    0.051   1.406    38.557    0.000    0.000
LGA    R   137_A      R   137_A    38.435     0    0.262   0.786    39.880    0.000    0.000
LGA    G   138_A      G   138_A    37.105     0    0.619   0.619    37.206    0.000    0.000
LGA    E   139_A      E   139_A    33.477     0    0.204   0.271    38.604    0.000    0.000
LGA    G   140_A      G   140_A    29.448     0    0.266   0.266    31.451    0.000    0.000
LGA    A   141_A      A   141_A    24.386     0    0.041   0.040    26.049    0.000    0.000
LGA    S   142_A      S   142_A    20.112     0    0.057   0.061    21.938    0.000    0.000
LGA    L   143_A      L   143_A    26.281     0    0.039   0.120    33.295    0.000    0.000
LGA    G   144_A      G   144_A    26.444     0    0.037   0.037    26.444    0.000    0.000
LGA    V   145_A      V   145_A    19.318     0    0.072   0.914    21.744    0.000    0.000
LGA    L   146_A      L   146_A    21.309     0    0.063   0.094    25.020    0.000    0.000
LGA    R   147_A      R   147_A    27.157     0    0.048   0.765    36.352    0.000    0.000
LGA    E   148_A      E   148_A    22.943     0    0.037   0.195    25.131    0.000    0.000
LGA    L   149_A      L   149_A    18.337     0    0.062   1.061    20.284    0.000    0.000
LGA    R   150_A      R   150_A    24.721     0    0.080   1.103    27.172    0.000    0.000
LGA    K   151_A      K   151_A    26.051     0    0.043   0.643    32.638    0.000    0.000
LGA    I   152_A      I   152_A    19.407     0    0.050   0.727    21.483    0.000    0.000
LGA    E   153_A      E   153_A    21.921     0    0.098   0.871    24.945    0.000    0.000
LGA    K   154_A      K   154_A    28.082     0    0.085   0.955    36.932    0.000    0.000
LGA    K   155_A      K   155_A    23.967     0    0.207   0.769    24.922    0.000    0.000
LGA    R   156_A      R   156_A    22.626     0    0.048   1.002    25.586    0.000    0.000
LGA    N   157_A      N   157_A    29.926     0    0.213   0.702    32.268    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      157     628    628  100.00    1259   1259  100.00               157
SUMMARY(RMSD_GDC):    14.245         14.195                 14.883           15.162   12.252

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  158  157    4.0     35    2.55    20.382    18.425     1.322

LGA_LOCAL      RMSD:   2.547  Number of atoms:   35  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.569  Number of assigned atoms:  157 
Std_ASGN_ATOMS RMSD:  14.245  Standard rmsd on all 157 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.368890 * X  +  -0.614206 * Y  +   0.697618 * Z  +  -1.305468
  Y_new =  -0.928865 * X  +  -0.270752 * Y  +   0.252791 * Z  +  12.865265
  Z_new =   0.033616 * X  +  -0.741245 * Y  +  -0.670392 * Z  + -17.653425 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.192757 -0.033622 -2.306044   [DEG:  -68.3400   -1.9264 -132.1266 ]
ZXZ:  1.918442  2.305533  3.096273   [DEG:  109.9186  132.0973  177.4034 ]
 
# END of job
