
#######################################################
#                                                     #
#                        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:    42      12_A - 53_A        4.97    29.17
  LONGEST_CONTINUOUS_SEGMENT:    42      13_A - 54_A        4.97    29.00
  LCS_AVERAGE:     21.58

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      76_A - 108_A       1.94    19.47
  LCS_AVERAGE:     12.11

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      30_A - 49_A        0.66    26.98
  LONGEST_CONTINUOUS_SEGMENT:    20      88_A - 107_A       0.95    18.45
  LCS_AVERAGE:      8.60

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   13   20      3    3    4    7   13   15   16   17   19   20   22   24   24   29   30   34   37   38   39   44 
LCS_GDT     S     2_A     S     2_A     10   14   20     10   10   10   10   13   15   16   17   19   20   22   24   24   26   30   34   36   38   39   44 
LCS_GDT     D     3_A     D     3_A     10   14   20     10   10   10   10   13   15   16   17   19   20   22   24   24   30   32   34   37   38   39   43 
LCS_GDT     R     4_A     R     4_A     10   14   20     10   10   10   10   12   15   16   17   19   20   22   24   24   26   29   32   37   38   39   43 
LCS_GDT     E     5_A     E     5_A     10   14   20     10   10   10   10   13   15   16   17   19   20   22   24   24   30   32   34   37   38   39   42 
LCS_GDT     L     6_A     L     6_A     10   14   20     10   10   10   10   13   15   16   17   21   23   25   26   28   30   32   34   37   38   43   45 
LCS_GDT     E     7_A     E     7_A     10   14   20     10   10   10   10   13   15   16   17   21   23   25   26   28   30   32   34   37   43   45   47 
LCS_GDT     A     8_A     A     8_A     10   14   20     10   10   10   10   13   15   16   17   21   23   25   26   28   30   32   34   37   43   45   47 
LCS_GDT     S     9_A     S     9_A     10   14   20     10   10   10   10   11   15   16   17   19   23   25   26   28   30   32   34   37   43   45   47 
LCS_GDT     L    10_A     L    10_A     10   14   20     10   10   10   10   11   15   15   17   21   23   25   28   33   36   39   41   43   43   46   50 
LCS_GDT     Q    11_A     Q    11_A     10   14   20     10   10   10   10   12   15   16   17   21   23   25   28   31   33   35   39   41   43   46   50 
LCS_GDT     A    12_A     A    12_A      8   14   42      6    7    8   10   13   15   16   17   21   23   26   32   35   36   40   41   43   43   46   50 
LCS_GDT     F    13_A     F    13_A      8   14   42      6    7    8   10   13   15   17   23   28   32   33   35   36   38   40   41   43   43   46   50 
LCS_GDT     F    14_A     F    14_A      8   14   42      6    7    8   10   13   15   16   17   21   26   33   35   36   38   40   41   43   43   46   50 
LCS_GDT     E    15_A     E    15_A      8   14   42      6    7    8   10   13   15   16   17   21   23   25   28   33   36   40   41   43   43   46   50 
LCS_GDT     V    16_A     V    16_A      8   11   42      6    7    8   10   13   14   17   23   28   32   33   35   36   38   40   41   43   43   46   50 
LCS_GDT     H    17_A     H    17_A      8    9   42      3    4    8   10   10   14   15   17   21   23   28   33   35   38   39   41   42   43   45   48 
LCS_GDT     T    18_A     T    18_A      3    8   42      3    3    3    8    8    9   10   12   15   23   23   32   36   38   40   41   43   43   45   47 
LCS_GDT     R    19_A     R    19_A      7    8   42      4    7    7    8    9   16   21   25   28   32   33   35   36   38   40   41   43   43   45   47 
LCS_GDT     L    20_A     L    20_A      7    8   42      4    7    7    8    9   13   21   25   28   32   33   35   36   38   40   41   43   43   45   47 
LCS_GDT     V    21_A     V    21_A      7    8   42      4    7    7    8   19   21   22   25   28   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     H    22_A     H    22_A      7    8   42      4    7    7    8    9   16   21   25   28   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     R    23_A     R    23_A      7    8   42      3    7    7    8    9   10   13   18   27   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     L    24_A     L    24_A      7    8   42      3    7    7    8    9   10   11   14   18   19   22   27   35   38   40   41   43   43   45   45 
LCS_GDT     A    25_A     A    25_A      7    8   42      3    7    7    8    9   10   16   23   28   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     G    26_A     G    26_A      3    8   42      3    3    5    8    8   10   11   14   16   18   25   35   36   38   40   41   43   43   45   45 
LCS_GDT     I    27_A     I    27_A      4    7   42      3    3    4    8    9   10   15   23   28   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     E    28_A     E    28_A      4    7   42      3    3    4    7    9   10   16   24   27   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     P    29_A     P    29_A      4   22   42      3    4   10   18   21   21   22   25   28   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     D    30_A     D    30_A     20   22   42      0   15   20   20   21   21   22   25   28   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     P    31_A     P    31_A     20   22   42      3   17   20   20   21   21   22   25   28   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     R    32_A     R    32_A     20   22   42     14   17   20   20   21   21   22   25   28   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     F    33_A     F    33_A     20   22   42     14   17   20   20   21   21   22   25   28   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     E    34_A     E    34_A     20   22   42     14   17   20   20   21   21   22   25   28   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     I    35_A     I    35_A     20   22   42     14   17   20   20   21   21   22   25   28   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     L    36_A     L    36_A     20   22   42     14   17   20   20   21   21   22   25   28   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     D    37_A     D    37_A     20   22   42     13   17   20   20   21   21   22   25   28   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     K    38_A     K    38_A     20   22   42     14   17   20   20   21   21   22   25   28   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     Y    39_A     Y    39_A     20   22   42     14   17   20   20   21   21   22   25   28   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     I    40_A     I    40_A     20   22   42     14   17   20   20   21   21   22   25   28   32   33   35   36   38   40   41   43   43   45   45 
LCS_GDT     F    41_A     F    41_A     20   22   42     14   17   20   20   21   21   22   25   28   32   33   35   36   38   40   41   43   43   45   46 
LCS_GDT     R    42_A     R    42_A     20   22   42     14   17   20   20   21   21   22   25   28   32   33   35   36   38   40   41   44   47   48   50 
LCS_GDT     Q    43_A     Q    43_A     20   22   42     14   17   20   20   21   21   22   25   28   32   33   35   36   38   40   42   45   47   48   51 
LCS_GDT     I    44_A     I    44_A     20   22   42     14   17   20   20   21   21   22   25   28   32   33   35   37   39   43   45   49   52   54   57 
LCS_GDT     V    45_A     V    45_A     20   22   42     14   17   20   20   21   21   22   25   28   32   33   35   37   39   43   45   49   52   54   57 
LCS_GDT     A    46_A     A    46_A     20   22   42     14   17   20   20   21   21   22   25   28   32   33   35   37   39   43   46   49   52   54   57 
LCS_GDT     D    47_A     D    47_A     20   22   42     14   17   20   20   21   21   22   23   26   30   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     N    48_A     N    48_A     20   22   42     14   17   20   20   21   21   22   25   28   32   33   35   37   39   43   46   49   52   54   57 
LCS_GDT     P    49_A     P    49_A     20   22   42      8   15   20   20   21   21   22   25   28   32   33   35   37   39   43   46   49   52   54   57 
LCS_GDT     E    50_A     E    50_A      5   22   42      4    5    7   11   13   15   18   24   26   31   33   35   37   39   43   46   49   52   54   57 
LCS_GDT     E    51_A     E    51_A      9   13   42      7    9    9   11   13   16   21   25   28   32   33   35   37   39   43   46   49   52   54   57 
LCS_GDT     R    52_A     R    52_A      9   13   42      7    9    9   11   13   15   16   22   28   32   33   35   37   39   43   46   49   52   54   57 
LCS_GDT     E    53_A     E    53_A      9   13   42      7    9    9   11   13   15   16   24   26   30   32   35   37   39   43   46   49   53   57   60 
LCS_GDT     K    54_A     K    54_A      9   13   42      7    9    9   11   13   15   17   24   26   30   32   35   37   39   43   46   49   52   54   60 
LCS_GDT     I    55_A     I    55_A      9   13   40      7    9    9   11   13   15   17   24   26   30   32   35   37   39   43   46   49   52   54   60 
LCS_GDT     R    56_A     R    56_A      9   13   25      7    9    9   11   13   15   17   24   26   30   32   35   37   39   43   46   49   53   57   60 
LCS_GDT     L    57_A     L    57_A      9   13   25      7    9    9   11   13   13   15   24   26   30   32   35   37   39   43   46   49   53   57   60 
LCS_GDT     D    58_A     D    58_A      9   13   25      5    9    9   11   13   13   14   17   20   26   28   33   37   39   43   46   49   52   54   57 
LCS_GDT     Y    59_A     Y    59_A      9   13   25      5    9    9   11   13   13   14   17   20   26   32   34   37   39   43   46   49   52   57   60 
LCS_GDT     G    60_A     G    60_A      4   14   25      3    4    4   11   13   13   14   24   26   30   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     R    61_A     R    61_A     13   14   25     10   12   12   13   13   15   16   24   26   30   32   35   37   39   43   46   49   52   54   55 
LCS_GDT     A    62_A     A    62_A     13   14   25     10   12   12   13   13   13   15   24   26   30   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     A    63_A     A    63_A     13   14   25     10   12   12   13   13   15   17   24   26   30   32   35   37   39   43   46   49   52   54   56 
LCS_GDT     E    64_A     E    64_A     13   14   25     10   12   12   13   13   13   14   14   17   18   30   35   37   39   43   46   49   52   54   56 
LCS_GDT     I    65_A     I    65_A     13   14   25     10   12   12   13   13   13   14   14   17   18   24   27   35   38   42   45   49   52   54   56 
LCS_GDT     F    66_A     F    66_A     13   14   28     10   12   12   13   13   13   14   14   17   18   24   26   35   39   42   45   49   51   57   60 
LCS_GDT     R    67_A     R    67_A     13   14   29     10   12   12   13   13   13   14   14   17   17   19   23   26   28   32   40   43   49   57   60 
LCS_GDT     D    68_A     D    68_A     13   14   29     10   12   12   13   13   13   14   14   17   17   18   23   25   28   31   40   43   49   57   60 
LCS_GDT     A    69_A     A    69_A     13   14   32     10   12   12   13   13   13   14   14   17   17   20   24   27   32   38   43   48   53   57   60 
LCS_GDT     L    70_A     L    70_A     13   14   39     10   12   12   13   13   13   14   16   18   22   22   25   27   32   38   43   48   53   57   60 
LCS_GDT     A    71_A     A    71_A     13   14   40     10   12   12   13   13   13   14   14   17   17   20   24   27   32   38   43   46   53   57   60 
LCS_GDT     R    72_A     R    72_A     13   14   40      3   12   12   13   13   13   14   16   18   22   22   25   27   32   38   43   48   53   57   60 
LCS_GDT     D    73_A     D    73_A     13   14   40      3    3    9   13   13   13   15   17   20   22   27   33   39   40   45   47   49   53   57   60 
LCS_GDT     I    74_A     I    74_A      3   14   40      3    3    3    7    8   12   20   24   30   32   36   39   41   42   45   47   49   53   57   60 
LCS_GDT     T    75_A     T    75_A      3   30   40      3    3    8   15   24   29   32   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     T    76_A     T    76_A     17   33   40     11   14   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     P    77_A     P    77_A     17   33   40     11   14   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     E    78_A     E    78_A     17   33   40     11   14   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     A    79_A     A    79_A     17   33   40     11   14   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     F    80_A     F    80_A     17   33   40      8   14   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     N    81_A     N    81_A     17   33   40     11   14   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     A    82_A     A    82_A     17   33   40     11   14   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     Y    83_A     Y    83_A     17   33   40     11   14   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     L    84_A     L    84_A     17   33   40     11   14   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     E    85_A     E    85_A     17   33   40     11   14   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     A    86_A     A    86_A     17   33   40     11   14   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     L    87_A     L    87_A     17   33   40     11   14   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     G    88_A     G    88_A     20   33   40      6   14   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   59 
LCS_GDT     P    89_A     P    89_A     20   33   40      4   13   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     D    90_A     D    90_A     20   33   40      5   16   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     A    91_A     A    91_A     20   33   40      7   16   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     V    92_A     V    92_A     20   33   40      6   14   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     R    93_A     R    93_A     20   33   40      6   16   19   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     T    94_A     T    94_A     20   33   40     11   16   19   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     V    95_A     V    95_A     20   33   40     11   16   19   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     Q    96_A     Q    96_A     20   33   40     11   16   19   21   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     D    97_A     D    97_A     20   33   40     11   16   19   23   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     L    98_A     L    98_A     20   33   40     11   16   19   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     T    99_A     T    99_A     20   33   40     11   16   19   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     R   100_A     R   100_A     20   33   40     11   16   19   21   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     R   101_A     R   101_A     20   33   40     11   16   19   21   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     F   102_A     F   102_A     20   33   40     11   16   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     V   103_A     V   103_A     20   33   40      9   16   19   22   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     D   104_A     D   104_A     20   33   40     11   16   19   21   23   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     V   105_A     V   105_A     20   33   40     10   16   19   21   26   32   33   34   34   34   37   39   41   42   45   47   49   53   56   60 
LCS_GDT     I   106_A     I   106_A     20   33   40      9   16   20   24   27   32   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     R   107_A     R   107_A     20   33   40     11   16   19   21   27   32   33   34   34   34   37   39   41   42   45   47   49   53   56   57 
LCS_GDT     A   108_A     A   108_A      4   33   40      3   13   20   24   26   31   33   34   34   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     D   109_A     D   109_A     10   13   40      4   10   10   15   23   24   28   29   31   33   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     P   110_A     P   110_A     10   13   40      9   10   10   11   12   13   13   13   15   20   25   35   37   39   44   47   49   53   56   60 
LCS_GDT     E   111_A     E   111_A     10   13   40      9   10   10   11   12   13   13   13   14   16   17   21   27   29   35   40   45   50   52   56 
LCS_GDT     A   112_A     A   112_A     10   13   40      9   10   10   11   12   13   13   13   14   17   20   23   26   30   34   38   42   47   51   56 
LCS_GDT     I   113_A     I   113_A     10   13   40      9   10   10   11   12   13   13   13   16   20   25   30   36   37   38   42   46   51   54   59 
LCS_GDT     A   114_A     A   114_A     10   13   25      9   10   10   11   19   19   20   21   21   23   25   29   34   37   39   42   46   50   53   57 
LCS_GDT     K   115_A     K   115_A     10   13   25      9   10   10   11   12   13   19   19   20   20   24   29   34   36   39   42   46   52   54   57 
LCS_GDT     L   116_A     L   116_A     10   13   25      9   10   10   11   12   13   13   15   17   19   22   29   34   36   39   42   46   50   54   57 
LCS_GDT     L   117_A     L   117_A     10   13   25      9   10   10   11   12   13   13   15   20   20   24   29   34   37   43   46   49   52   54   57 
LCS_GDT     N   118_A     N   118_A     10   13   25      9   10   10   11   12   13   13   14   16   19   24   28   34   37   43   46   49   52   54   57 
LCS_GDT     I   119_A     I   119_A      3   14   25      3    4    6   10   12   13   14   15   17   19   24   29   34   38   43   46   49   52   54   57 
LCS_GDT     S   120_A     S   120_A     12   14   25      4    8   12   12   12   13   14   16   21   22   25   26   28   30   36   42   46   50   52   57 
LCS_GDT     K   121_A     K   121_A     12   14   25      9   11   12   12   12   13   14   16   21   23   25   26   34   37   39   42   46   50   53   57 
LCS_GDT     E   122_A     E   122_A     12   14   25     10   11   12   12   12   13   14   15   19   20   25   29   34   38   43   46   49   52   54   57 
LCS_GDT     D   123_A     D   123_A     12   14   25     10   11   12   12   12   13   14   16   21   23   31   34   37   39   43   46   49   52   54   57 
LCS_GDT     V   124_A     V   124_A     12   14   25     10   11   12   12   12   13   14   16   21   23   26   29   37   39   43   46   49   52   54   57 
LCS_GDT     Q   125_A     Q   125_A     12   14   25     10   11   12   12   12   13   14   16   22   28   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     G   126_A     G   126_A     12   14   25     10   11   12   12   12   13   17   24   26   30   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     L   127_A     L   127_A     12   14   25     10   11   12   12   12   15   17   24   26   30   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     A   128_A     A   128_A     12   14   25     10   11   12   12   12   15   17   24   26   30   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     R   129_A     R   129_A     12   14   25     10   11   12   12   12   13   17   24   26   30   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     A   130_A     A   130_A     12   14   25     10   11   12   12   12   13   14   24   26   29   32   35   37   39   43   46   49   52   54   56 
LCS_GDT     G   131_A     G   131_A     12   14   25     10   11   12   12   12   13   14   14   15   19   21   24   32   39   42   45   49   51   54   55 
LCS_GDT     E   132_A     E   132_A      8   14   26      7    8    8   10   12   15   16   24   26   30   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     A   133_A     A   133_A      8    9   26      7    8    8    9   11   15   17   24   26   30   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     A   134_A     A   134_A      8    9   26      7    8    8    8    8   12   17   24   26   30   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     I   135_A     I   135_A      8    9   26      7    8    8    8    8   11   17   24   26   30   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     E   136_A     E   136_A      8    9   26      7    8    8    8    8   13   17   24   26   30   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     R   137_A     R   137_A      8    9   26      7    8    8    8   13   18   18   24   26   30   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     G   138_A     G   138_A      8    9   26      7    8    8    8    8    9   10   14   20   23   25   30   35   39   43   46   49   52   54   57 
LCS_GDT     E   139_A     E   139_A      3   19   26      3    3    5   12   15   18   19   24   26   30   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     G   140_A     G   140_A     18   19   26      3   10   15   18   19   19   20   24   26   30   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     A   141_A     A   141_A     18   19   26     12   14   16   18   19   19   20   21   25   30   32   35   37   39   43   46   49   52   54   57 
LCS_GDT     S   142_A     S   142_A     18   19   26     12   14   16   18   19   19   20   24   26   30   32   35   37   39   43   46   49   53   57   60 
LCS_GDT     L   143_A     L   143_A     18   19   26     12   14   16   18   19   19   20   21   21   26   31   35   37   39   43   47   49   53   57   60 
LCS_GDT     G   144_A     G   144_A     18   19   26     12   14   16   18   19   19   20   21   21   23   26   33   37   42   45   47   49   53   57   60 
LCS_GDT     V   145_A     V   145_A     18   19   26     12   14   16   18   19   22   26   27   30   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     L   146_A     L   146_A     18   19   26     12   14   16   18   19   19   21   27   30   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     R   147_A     R   147_A     18   19   26     12   14   16   18   19   19   20   21   27   31   35   38   41   42   45   47   49   53   57   60 
LCS_GDT     E   148_A     E   148_A     18   19   26     12   14   19   21   21   22   26   27   30   34   37   39   41   42   45   47   49   53   57   60 
LCS_GDT     L   149_A     L   149_A     18   19   26     12   14   16   18   19   22   23   26   30   32   36   37   41   42   45   47   49   53   57   60 
LCS_GDT     R   150_A     R   150_A     18   19   26     12   14   16   18   19   19   20   21   21   23   34   37   39   42   45   47   49   53   57   60 
LCS_GDT     K   151_A     K   151_A     18   19   26     12   14   16   18   19   19   23   24   24   27   34   37   39   42   45   47   49   53   57   60 
LCS_GDT     I   152_A     I   152_A     18   19   26     12   14   16   18   19   19   20   21   22   26   33   37   39   40   44   47   49   53   57   60 
LCS_GDT     E   153_A     E   153_A     18   19   26     12   14   16   18   19   19   20   21   21   23   25   27   31   37   39   42   46   50   53   56 
LCS_GDT     K   154_A     K   154_A     18   19   26     12   14   16   18   19   19   20   21   21   23   25   27   29   37   39   42   45   48   52   55 
LCS_GDT     K   155_A     K   155_A     18   19   26      3    8   16   18   19   19   20   21   21   23   25   27   29   37   39   42   45   50   52   56 
LCS_GDT     R   156_A     R   156_A     18   19   26      3    7   16   18   19   19   20   21   21   23   25   27   31   37   39   42   45   50   52   56 
LCS_GDT     N   157_A     N   157_A     18   19   26      3    3   12   18   19   19   20   21   21   23   24   27   29   36   39   42   45   47   49   51 
LCS_AVERAGE  LCS_A:  14.10  (   8.60   12.11   21.58 )

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     17     20     24     27     32     33     34     34     34     37     39     41     42     45     47     49     53     57     60 
GDT PERCENT_AT   8.92  10.83  12.74  15.29  17.20  20.38  21.02  21.66  21.66  21.66  23.57  24.84  26.11  26.75  28.66  29.94  31.21  33.76  36.31  38.22
GDT RMS_LOCAL    0.31   0.37   0.66   1.22   1.52   1.88   1.94   2.08   2.08   2.08   3.09   3.49   3.84   3.95   4.46   4.70   4.93   5.65   6.61   6.88
GDT RMS_ALL_AT  26.89  27.00  26.98  19.54  19.52  19.48  19.47  19.37  19.37  19.37  19.05  19.02  19.09  19.11  19.35  19.37  19.37  19.73  20.54  20.42

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  F    14_A      F    14_A
#   possible swapping detected:  F    33_A      F    33_A
#   possible swapping detected:  D    37_A      D    37_A
#   possible swapping detected:  F    41_A      F    41_A
#   possible swapping detected:  D    47_A      D    47_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    78_A      E    78_A
#   possible swapping detected:  F    80_A      F    80_A
#   possible swapping detected:  Y    83_A      Y    83_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  D    90_A      D    90_A
#   possible swapping detected:  D    97_A      D    97_A
#   possible swapping detected:  D   104_A      D   104_A
#   possible swapping detected:  E   111_A      E   111_A
#   possible swapping detected:  D   123_A      D   123_A
#   possible swapping detected:  E   136_A      E   136_A
#   possible swapping detected:  E   153_A      E   153_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     1_A      L     1_A    34.166     0    0.525   1.465    39.141    0.000    0.000
LGA    S     2_A      S     2_A    32.504     0    0.540   0.560    32.510    0.000    0.000
LGA    D     3_A      D     3_A    29.194     0    0.051   1.153    30.677    0.000    0.000
LGA    R     4_A      R     4_A    30.195     0    0.046   1.060    33.891    0.000    0.000
LGA    E     5_A      E     5_A    30.448     0    0.063   1.122    36.572    0.000    0.000
LGA    L     6_A      L     6_A    26.177     0    0.061   0.144    27.950    0.000    0.000
LGA    E     7_A      E     7_A    23.807     0    0.033   0.304    25.019    0.000    0.000
LGA    A     8_A      A     8_A    26.395     0    0.041   0.046    28.386    0.000    0.000
LGA    S     9_A      S     9_A    25.859     0    0.086   0.193    26.285    0.000    0.000
LGA    L    10_A      L    10_A    20.753     0    0.335   0.320    22.566    0.000    0.000
LGA    Q    11_A      Q    11_A    21.293     0    0.056   1.513    21.931    0.000    0.000
LGA    A    12_A      A    12_A    21.179     0    0.114   0.116    21.458    0.000    0.000
LGA    F    13_A      F    13_A    19.826     0    0.086   0.407    20.225    0.000    0.000
LGA    F    14_A      F    14_A    19.098     0    0.022   0.570    19.424    0.000    0.000
LGA    E    15_A      E    15_A    19.667     0    0.050   0.941    20.265    0.000    0.000
LGA    V    16_A      V    16_A    19.428     0    0.612   0.566    20.995    0.000    0.000
LGA    H    17_A      H    17_A    20.300     0    0.155   1.174    23.851    0.000    0.000
LGA    T    18_A      T    18_A    23.154     0    0.575   0.565    26.893    0.000    0.000
LGA    R    19_A      R    19_A    22.063     0    0.284   1.262    26.152    0.000    0.000
LGA    L    20_A      L    20_A    17.248     0    0.194   1.447    18.757    0.000    0.000
LGA    V    21_A      V    21_A    22.971     0    0.041   1.192    26.572    0.000    0.000
LGA    H    22_A      H    22_A    23.598     0    0.075   1.124    31.225    0.000    0.000
LGA    R    23_A      R    23_A    16.742     0    0.343   1.388    18.972    0.000    0.736
LGA    L    24_A      L    24_A    18.484     0    0.108   0.103    21.242    0.000    0.000
LGA    A    25_A      A    25_A    24.296     0    0.230   0.222    26.291    0.000    0.000
LGA    G    26_A      G    26_A    25.143     0    0.455   0.455    26.249    0.000    0.000
LGA    I    27_A      I    27_A    28.618     0    0.598   1.469    33.582    0.000    0.000
LGA    E    28_A      E    28_A    32.248     0    0.132   1.076    35.328    0.000    0.000
LGA    P    29_A      P    29_A    33.965     0    0.333   0.732    37.982    0.000    0.000
LGA    D    30_A      D    30_A    37.571     0    0.272   1.259    41.695    0.000    0.000
LGA    P    31_A      P    31_A    36.226     0    0.079   0.567    39.742    0.000    0.000
LGA    R    32_A      R    32_A    36.178     0    0.311   1.589    46.391    0.000    0.000
LGA    F    33_A      F    33_A    31.538     0    0.094   1.447    33.683    0.000    0.000
LGA    E    34_A      E    34_A    29.161     0    0.069   0.848    32.059    0.000    0.000
LGA    I    35_A      I    35_A    31.347     0    0.051   0.103    36.754    0.000    0.000
LGA    L    36_A      L    36_A    29.506     0    0.041   1.388    33.775    0.000    0.000
LGA    D    37_A      D    37_A    24.638     0    0.053   1.056    26.583    0.000    0.000
LGA    K    38_A      K    38_A    25.014     0    0.043   0.141    29.966    0.000    0.000
LGA    Y    39_A      Y    39_A    26.541     0    0.059   1.531    36.274    0.000    0.000
LGA    I    40_A      I    40_A    24.062     0    0.026   0.243    25.994    0.000    0.000
LGA    F    41_A      F    41_A    20.461     0    0.054   1.455    21.784    0.000    0.000
LGA    R    42_A      R    42_A    21.867     0    0.030   1.173    25.178    0.000    0.000
LGA    Q    43_A      Q    43_A    23.178     0    0.059   1.474    31.455    0.000    0.000
LGA    I    44_A      I    44_A    20.644     0    0.055   0.116    21.528    0.000    0.000
LGA    V    45_A      V    45_A    18.519     0    0.085   1.174    19.488    0.000    0.000
LGA    A    46_A      A    46_A    20.480     0    0.061   0.061    21.581    0.000    0.000
LGA    D    47_A      D    47_A    23.163     0    0.085   0.193    26.218    0.000    0.000
LGA    N    48_A      N    48_A    20.197     0    0.526   0.654    21.789    0.000    0.000
LGA    P    49_A      P    49_A    17.919     0    0.082   0.638    20.184    0.000    0.000
LGA    E    50_A      E    50_A    21.415     0    0.228   1.132    25.081    0.000    0.000
LGA    E    51_A      E    51_A    20.968     0    0.270   0.911    24.110    0.000    0.000
LGA    R    52_A      R    52_A    17.283     0    0.094   1.438    24.358    0.000    0.000
LGA    E    53_A      E    53_A    15.827     0    0.060   1.465    16.536    0.000    0.000
LGA    K    54_A      K    54_A    19.025     0    0.037   1.485    23.381    0.000    0.000
LGA    I    55_A      I    55_A    16.860     0    0.027   0.170    18.839    0.000    0.000
LGA    R    56_A      R    56_A    15.478     0    0.091   1.650    16.882    0.000    0.000
LGA    L    57_A      L    57_A    18.264     0    0.042   1.027    20.642    0.000    0.000
LGA    D    58_A      D    58_A    20.192     0    0.033   1.188    22.419    0.000    0.000
LGA    Y    59_A      Y    59_A    18.878     0    0.539   0.709    20.078    0.000    0.000
LGA    G    60_A      G    60_A    24.427     0    0.167   0.167    27.808    0.000    0.000
LGA    R    61_A      R    61_A    26.971     0    0.382   1.534    33.132    0.000    0.000
LGA    A    62_A      A    62_A    21.136     0    0.091   0.099    23.285    0.000    0.000
LGA    A    63_A      A    63_A    23.809     0    0.028   0.029    25.852    0.000    0.000
LGA    E    64_A      E    64_A    25.692     0    0.019   0.983    30.364    0.000    0.000
LGA    I    65_A      I    65_A    20.813     0    0.078   1.264    22.491    0.000    0.000
LGA    F    66_A      F    66_A    18.186     0    0.055   1.552    19.247    0.000    0.000
LGA    R    67_A      R    67_A    21.490     0    0.046   0.976    28.090    0.000    0.000
LGA    D    68_A      D    68_A    20.473     0    0.056   1.173    24.709    0.000    0.000
LGA    A    69_A      A    69_A    15.902     0    0.094   0.098    17.474    0.000    0.000
LGA    L    70_A      L    70_A    17.164     0    0.034   0.166    20.360    0.000    0.000
LGA    A    71_A      A    71_A    19.047     0    0.087   0.100    20.609    0.000    0.000
LGA    R    72_A      R    72_A    15.694     0    0.530   1.214    19.250    0.000    0.000
LGA    D    73_A      D    73_A    11.378     0    0.086   1.390    13.046    0.000    0.000
LGA    I    74_A      I    74_A     9.778     0    0.562   0.730    12.620    2.024    1.012
LGA    T    75_A      T    75_A     4.505     0    0.270   0.302     6.570   41.667   36.667
LGA    T    76_A      T    76_A     1.271     0    0.416   0.448     5.447   75.119   58.163
LGA    P    77_A      P    77_A     0.410     0    0.054   0.440     2.099   92.857   88.163
LGA    E    78_A      E    78_A     1.994     0    0.051   0.886     6.946   75.000   51.005
LGA    A    79_A      A    79_A     2.084     0    0.056   0.067     2.718   72.976   69.810
LGA    F    80_A      F    80_A     1.379     0    0.094   1.207     6.282   85.952   59.524
LGA    N    81_A      N    81_A     1.444     0    0.054   0.260     2.622   81.548   72.202
LGA    A    82_A      A    82_A     1.999     0    0.045   0.041     2.623   77.143   73.143
LGA    Y    83_A      Y    83_A     1.102     0    0.023   1.285     6.918   85.952   64.127
LGA    L    84_A      L    84_A     0.795     0    0.030   0.935     3.948   88.214   74.226
LGA    E    85_A      E    85_A     1.224     0    0.074   0.831     3.904   88.214   73.757
LGA    A    86_A      A    86_A     0.478     0    0.052   0.058     0.686   95.238   94.286
LGA    L    87_A      L    87_A     1.052     0    0.055   0.196     1.446   83.690   82.560
LGA    G    88_A      G    88_A     1.305     0    0.116   0.116     1.305   85.952   85.952
LGA    P    89_A      P    89_A     0.224     0    0.080   0.348     1.118  100.000   97.347
LGA    D    90_A      D    90_A     0.800     0    0.085   0.180     2.305   97.619   85.298
LGA    A    91_A      A    91_A     1.397     0    0.069   0.070     1.933   83.690   81.524
LGA    V    92_A      V    92_A     1.658     0    0.096   0.134     2.340   77.143   72.993
LGA    R    93_A      R    93_A     0.998     0    0.042   0.987     2.944   92.857   72.944
LGA    T    94_A      T    94_A     1.591     0    0.031   0.093     3.338   77.262   67.619
LGA    V    95_A      V    95_A     2.730     0    0.046   0.048     4.864   62.976   51.156
LGA    Q    96_A      Q    96_A     2.409     0    0.039   1.062     7.288   70.833   49.312
LGA    D    97_A      D    97_A     1.813     0    0.031   1.030     6.517   77.143   53.333
LGA    L    98_A      L    98_A     2.267     0    0.050   1.067     5.944   72.976   58.929
LGA    T    99_A      T    99_A     2.411     0    0.042   0.163     4.153   66.786   55.918
LGA    R   100_A      R   100_A     2.810     0    0.027   1.643    12.677   62.976   30.173
LGA    R   101_A      R   101_A     2.515     0    0.052   0.986     6.153   66.905   42.771
LGA    F   102_A      F   102_A     1.885     0    0.100   1.091     5.085   77.143   56.710
LGA    V   103_A      V   103_A     2.584     0    0.039   0.227     5.331   64.881   50.612
LGA    D   104_A      D   104_A     3.484     0    0.044   0.147     6.577   53.810   37.857
LGA    V   105_A      V   105_A     3.172     0    0.069   0.111     5.603   59.167   45.918
LGA    I   106_A      I   106_A     1.630     0    0.031   0.074     5.111   88.571   65.536
LGA    R   107_A      R   107_A     2.580     0    0.363   1.152    13.933   75.476   31.082
LGA    A   108_A      A   108_A     3.263     0    0.655   0.632     6.027   43.929   38.571
LGA    D   109_A      D   109_A     8.504     0    0.239   1.317    12.392    4.048    2.083
LGA    P   110_A      P   110_A    11.518     0    0.062   0.349    14.951    0.000    0.068
LGA    E   111_A      E   111_A    18.044     0    0.061   1.190    20.578    0.000    0.000
LGA    A   112_A      A   112_A    19.073     0    0.044   0.044    20.278    0.000    0.000
LGA    I   113_A      I   113_A    15.487     0    0.023   0.676    17.635    0.000    0.000
LGA    A   114_A      A   114_A    19.236     0    0.010   0.013    22.918    0.000    0.000
LGA    K   115_A      K   115_A    25.187     0    0.022   0.237    29.774    0.000    0.000
LGA    L   116_A      L   116_A    23.442     0    0.015   0.756    24.654    0.000    0.000
LGA    L   117_A      L   117_A    21.200     0    0.239   1.386    23.666    0.000    0.000
LGA    N   118_A      N   118_A    26.952     0    0.451   0.961    31.149    0.000    0.000
LGA    I   119_A      I   119_A    25.559     0    0.605   1.415    26.260    0.000    0.000
LGA    S   120_A      S   120_A    22.582     0    0.644   0.620    22.933    0.000    0.000
LGA    K   121_A      K   121_A    22.197     0    0.640   1.208    23.347    0.000    0.000
LGA    E   122_A      E   122_A    23.974     0    0.108   0.300    27.627    0.000    0.000
LGA    D   123_A      D   123_A    22.138     0    0.052   0.194    24.935    0.000    0.000
LGA    V   124_A      V   124_A    19.635     0    0.064   0.072    20.368    0.000    0.000
LGA    Q   125_A      Q   125_A    21.041     0    0.051   0.205    23.780    0.000    0.000
LGA    G   126_A      G   126_A    21.397     0    0.087   0.087    21.397    0.000    0.000
LGA    L   127_A      L   127_A    19.388     0    0.025   1.423    22.964    0.000    0.000
LGA    A   128_A      A   128_A    19.088     0    0.018   0.022    19.590    0.000    0.000
LGA    R   129_A      R   129_A    20.588     0    0.057   0.987    25.275    0.000    0.000
LGA    A   130_A      A   130_A    19.107     0    0.059   0.063    19.432    0.000    0.000
LGA    G   131_A      G   131_A    19.685     0    0.551   0.551    19.685    0.000    0.000
LGA    E   132_A      E   132_A    20.272     0    0.098   0.740    27.672    0.000    0.000
LGA    A   133_A      A   133_A    17.106     0    0.086   0.080    18.450    0.000    0.000
LGA    A   134_A      A   134_A    11.787     0    0.056   0.058    13.955    0.000    0.000
LGA    I   135_A      I   135_A    13.820     0    0.069   0.634    16.759    0.000    0.000
LGA    E   136_A      E   136_A    16.666     0    0.116   0.980    24.255    0.000    0.000
LGA    R   137_A      R   137_A    12.085     0    0.195   0.780    13.262    0.000    0.433
LGA    G   138_A      G   138_A    11.646     0    0.269   0.269    11.876    0.000    0.000
LGA    E   139_A      E   139_A    11.568     0    0.120   0.967    12.584    0.000    0.847
LGA    G   140_A      G   140_A    15.170     0    0.600   0.600    15.170    0.000    0.000
LGA    A   141_A      A   141_A    12.156     0    0.064   0.064    13.419    0.000    0.000
LGA    S   142_A      S   142_A    10.446     0    0.049   0.687    12.468    0.119    0.079
LGA    L   143_A      L   143_A    11.171     0    0.075   1.389    12.856    0.000    0.000
LGA    G   144_A      G   144_A     9.659     0    0.042   0.042    10.118    0.595    0.595
LGA    V   145_A      V   145_A     9.437     0    0.052   0.100    10.608    0.833    0.952
LGA    L   146_A      L   146_A    11.036     0    0.058   1.409    12.693    0.000    0.000
LGA    R   147_A      R   147_A    12.688     0    0.042   1.320    17.008    0.000    0.000
LGA    E   148_A      E   148_A    12.222     0    0.045   1.174    14.238    0.000    0.000
LGA    L   149_A      L   149_A    13.758     0    0.060   0.232    16.257    0.000    0.000
LGA    R   150_A      R   150_A    16.456     0    0.036   1.653    18.698    0.000    0.000
LGA    K   151_A      K   151_A    17.072     0    0.051   0.635    19.344    0.000    0.000
LGA    I   152_A      I   152_A    18.339     0    0.051   0.183    21.125    0.000    0.000
LGA    E   153_A      E   153_A    20.844     0    0.089   1.284    24.487    0.000    0.000
LGA    K   154_A      K   154_A    23.031     0    0.069   0.965    25.881    0.000    0.000
LGA    K   155_A      K   155_A    24.603     0    0.213   0.766    27.306    0.000    0.000
LGA    R   156_A      R   156_A    28.230     0    0.024   1.274    30.782    0.000    0.000
LGA    N   157_A      N   157_A    29.728     0    0.240   0.668    31.126    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):    16.848         16.789                 17.550           16.620   13.605

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  158  157    4.0     34    2.08    19.427    17.949     1.556

LGA_LOCAL      RMSD:   2.085  Number of atoms:   34  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.365  Number of assigned atoms:  157 
Std_ASGN_ATOMS RMSD:  16.848  Standard rmsd on all 157 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.770642 * X  +   0.556615 * Y  +   0.310307 * Z  +  -6.971828
  Y_new =   0.148172 * X  +  -0.630094 * Y  +   0.762251 * Z  +  27.789288
  Z_new =   0.619803 * X  +  -0.541444 * Y  +  -0.568052 * Z  + -30.365019 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.189953 -0.668492 -2.380172   [DEG:   10.8835  -38.3018 -136.3738 ]
ZXZ:  2.754986  2.174933  2.288818   [DEG:  157.8491  124.6145  131.1396 ]
 
# END of job
