
#######################################################
#                                                     #
#                        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  194 ( 1593),  selected  192 , name one
# Molecule2: number of CA atoms  192 ( 1575),  selected  192 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:D  -ch2:D  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    47      35_D - 81_D        4.95    26.22
  LONGEST_CONTINUOUS_SEGMENT:    47      36_D - 82_D        5.00    25.96
  LCS_AVERAGE:     16.45

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      46_D - 69_D        1.78    24.08
  LONGEST_CONTINUOUS_SEGMENT:    24      47_D - 70_D        1.98    24.35
  LCS_AVERAGE:      6.26

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      49_D - 68_D        0.95    23.84
  LONGEST_CONTINUOUS_SEGMENT:    20      50_D - 69_D        0.92    23.60
  LCS_AVERAGE:      4.15

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  192
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     M     1_D     M     1_D      5   16   42      4    4    5    9   15   18   18   21   22   26   29   35   37   42   52   55   59   60   63   66 
LCS_GDT     N     2_D     N     2_D      5   16   44      4    4    5    5    9   14   18   21   22   26   29   32   37   40   44   45   53   60   62   66 
LCS_GDT     S     3_D     S     3_D      5   16   44      4    4    5    9   15   18   18   21   22   26   32   37   40   42   44   50   55   60   62   66 
LCS_GDT     I     4_D     I     4_D     14   16   44      6   12   13   14   16   18   18   21   25   28   33   37   40   42   44   47   53   58   62   66 
LCS_GDT     T     5_D     T     5_D     14   16   44      9   12   13   14   16   18   18   21   24   28   32   37   40   42   44   45   49   52   55   60 
LCS_GDT     H     6_D     H     6_D     14   16   44      9   12   13   14   16   18   18   21   22   28   33   37   40   42   44   45   49   52   55   62 
LCS_GDT     A     7_D     A     7_D     14   16   44      9   12   13   14   16   18   18   21   25   28   33   37   40   42   44   45   49   53   59   66 
LCS_GDT     E     8_D     E     8_D     14   16   44      9   12   13   14   16   18   18   21   25   28   33   37   40   42   44   45   49   52   55   60 
LCS_GDT     F     9_D     F     9_D     14   16   44      9   12   13   14   16   18   18   21   25   28   33   37   40   42   44   45   47   52   55   60 
LCS_GDT     E    10_D     E    10_D     14   16   44      9   12   13   14   16   18   18   21   25   28   33   37   40   42   44   45   49   52   55   60 
LCS_GDT     F    11_D     F    11_D     14   16   44      9   12   13   14   16   18   18   21   25   28   33   37   40   42   44   45   47   51   55   60 
LCS_GDT     S    12_D     S    12_D     14   16   44      9   12   13   14   16   18   18   21   25   28   33   37   40   42   43   45   46   51   53   58 
LCS_GDT     L    13_D     L    13_D     14   16   44      9   12   13   14   16   18   18   21   25   28   33   37   40   42   43   45   46   51   53   58 
LCS_GDT     L    14_D     L    14_D     14   16   44      6   12   13   14   16   18   18   21   25   28   33   37   40   42   43   45   46   51   53   58 
LCS_GDT     E    15_D     E    15_D     14   16   44      9   12   13   14   16   18   18   21   24   28   33   37   40   42   43   44   44   46   53   53 
LCS_GDT     N    16_D     N    16_D     14   16   44      6   12   13   14   16   18   18   21   25   28   33   37   40   42   43   44   44   46   49   52 
LCS_GDT     V    17_D     V    17_D     14   16   44      3    7   13   14   14   16   18   21   25   28   33   37   40   42   43   44   44   45   48   50 
LCS_GDT     K    18_D     K    18_D      4   16   44      3    4    5    8   13   15   17   21   25   28   33   37   40   42   43   44   44   46   48   51 
LCS_GDT     Y    19_D     Y    19_D      4   10   44      3    4    4    7   11   14   17   21   25   28   33   37   40   42   43   44   44   46   48   56 
LCS_GDT     E    20_D     E    20_D      4    6   44      3    4    5    5    9   13   17   21   25   28   33   37   40   42   43   44   44   46   48   53 
LCS_GDT     T    21_D     T    21_D      5    6   44      4    5    5    6    9   14   21   25   26   28   33   37   40   42   43   44   44   47   51   58 
LCS_GDT     E    22_D     E    22_D      5    6   44      4    5    7   11   15   19   22   25   26   28   33   37   40   45   47   55   59   60   63   66 
LCS_GDT     D    23_D     D    23_D      5    6   44      4    5    5    8    9   15   21   25   26   34   34   38   43   46   52   55   59   60   63   66 
LCS_GDT     E    24_D     E    24_D      5    6   44      4    5    5    6    6    9   14   23   26   28   32   37   40   42   43   44   44   60   62   66 
LCS_GDT     V    25_D     V    25_D      5    8   44      4    5    7   11   15   19   22   25   26   28   33   37   40   46   52   55   59   60   63   66 
LCS_GDT     P    26_D     P    26_D      7    9   44      3    4   10   14   17   23   27   31   33   37   39   42   44   46   52   55   59   60   63   66 
LCS_GDT     I    27_D     I    27_D      7   18   44      3    6    8   14   17   23   27   31   33   37   39   42   44   46   52   55   59   60   63   66 
LCS_GDT     V    28_D     V    28_D      7   19   44      5    6    8   10   16   19   27   31   33   37   39   42   44   46   52   55   59   60   63   66 
LCS_GDT     L    29_D     L    29_D      7   19   44      5    6    8   12   16   19   22   25   33   37   39   42   44   46   52   55   59   60   63   66 
LCS_GDT     E    30_D     E    30_D      7   19   44      5    6    8   11   15   19   22   31   33   37   39   42   44   46   52   55   59   60   63   66 
LCS_GDT     Y    31_D     Y    31_D     15   19   44      9   14   15   15   16   18   21   22   30   37   39   42   44   46   52   55   59   60   63   66 
LCS_GDT     K    32_D     K    32_D     15   19   44      9   14   15   15   16   18   22   25   26   28   33   39   44   46   49   53   59   60   63   66 
LCS_GDT     E    33_D     E    33_D     15   19   44      9   14   15   15   16   19   22   25   27   33   38   41   44   46   49   53   59   60   63   65 
LCS_GDT     E    34_D     E    34_D     15   19   46      9   14   15   16   19   23   27   31   33   37   39   42   44   46   52   55   59   60   63   66 
LCS_GDT     I    35_D     I    35_D     15   19   47      9   14   15   15   18   23   27   31   33   37   39   42   44   46   52   55   59   60   63   66 
LCS_GDT     I    36_D     I    36_D     15   19   47      9   14   15   15   16   19   27   31   33   37   39   42   44   46   52   55   59   60   63   66 
LCS_GDT     N    37_D     N    37_D     15   19   47      9   14   15   16   19   23   27   31   33   37   39   42   46   47   52   55   59   60   63   66 
LCS_GDT     L    38_D     L    38_D     15   19   47      9   14   15   16   19   23   27   31   33   37   39   42   46   47   52   55   59   60   63   66 
LCS_GDT     I    39_D     I    39_D     15   19   47      9   14   15   16   19   23   27   31   35   37   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     K    40_D     K    40_D     15   19   47      9   14   15   16   19   24   29   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     K    41_D     K    41_D     15   19   47      7   14   15   15   20   25   29   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     F    42_D     F    42_D     15   19   47      8   14   15   15   16   20   29   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     S    43_D     S    43_D     15   19   47      7   14   15   20   25   27   30   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     N    44_D     N    44_D     15   19   47      7   14   15   19   25   27   30   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     S    45_D     S    45_D     15   19   47      6   12   15   15   16   19   22   31   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     G    46_D     G    46_D      4   24   47      4    8   10   13   19   24   30   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     Q    47_D     Q    47_D      5   24   47      3    5    5    9   13   27   30   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     S    48_D     S    48_D      5   24   47      3    5   11   20   25   27   30   32   35   38   42   42   46   47   48   55   59   60   63   66 
LCS_GDT     G    49_D     G    49_D     20   24   47      4   12   18   22   25   27   30   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     M    50_D     M    50_D     20   24   47      4    6   19   22   25   27   30   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     S    51_D     S    51_D     20   24   47      7   13   19   22   25   27   30   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     A    52_D     A    52_D     20   24   47      7   15   19   22   25   27   30   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     P    53_D     P    53_D     20   24   47      7   15   19   22   25   27   30   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     I    54_D     I    54_D     20   24   47      8   15   19   22   25   27   30   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     T    55_D     T    55_D     20   24   47      7   15   19   22   25   27   30   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     A    56_D     A    56_D     20   24   47      8   15   19   22   25   27   30   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     S    57_D     S    57_D     20   24   47      9   15   19   22   25   27   30   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     I    58_D     I    58_D     20   24   47      8   15   19   22   25   27   30   32   35   38   42   42   46   47   48   51   54   60   63   66 
LCS_GDT     I    59_D     I    59_D     20   24   47     10   15   19   22   25   27   30   32   35   38   42   42   46   47   48   51   53   57   61   65 
LCS_GDT     T    60_D     T    60_D     20   24   47     10   15   19   22   25   27   30   32   35   38   42   42   46   47   48   51   53   57   61   65 
LCS_GDT     N    61_D     N    61_D     20   24   47     10   15   19   22   25   27   30   32   35   38   42   42   46   47   48   51   53   57   61   65 
LCS_GDT     C    62_D     C    62_D     20   24   47     10   15   19   22   25   27   30   32   35   38   42   42   46   47   48   51   53   55   57   60 
LCS_GDT     I    63_D     I    63_D     20   24   47     10   15   19   22   25   27   30   32   35   38   42   42   46   47   48   51   53   55   57   60 
LCS_GDT     K    64_D     K    64_D     20   24   47     10   15   19   22   25   27   30   32   35   38   42   42   46   47   48   51   53   55   57   60 
LCS_GDT     N    65_D     N    65_D     20   24   47     10   15   19   22   25   27   30   32   35   38   42   42   46   47   48   51   53   55   57   60 
LCS_GDT     L    66_D     L    66_D     20   24   47     10   15   19   22   25   27   30   32   35   38   42   42   46   47   48   51   53   55   57   60 
LCS_GDT     M    67_D     M    67_D     20   24   47     10   15   19   22   25   27   30   32   35   38   42   42   46   47   48   51   53   55   57   60 
LCS_GDT     A    68_D     A    68_D     20   24   47     10   15   19   22   25   27   30   32   35   38   42   42   46   47   48   51   53   55   57   60 
LCS_GDT     F    69_D     F    69_D     20   24   47     10   15   18   22   25   27   30   32   35   38   42   42   46   47   48   51   53   55   57   60 
LCS_GDT     K    70_D     K    70_D      3   24   47      3    3    3    5   15   18   27   30   34   35   37   39   42   43   45   46   52   55   57   59 
LCS_GDT     P    71_D     P    71_D      3    5   47      0    3    3    5    5    6   10   13   15   20   27   38   40   42   45   46   47   49   52   57 
LCS_GDT     I    72_D     I    72_D      3    5   47      3    3    3    5    6    8   10   11   15   16   18   23   27   32   40   43   47   48   50   51 
LCS_GDT     G    73_D     G    73_D      3    5   47      3    3    3    6    7    8   11   14   17   21   27   35   39   41   45   46   47   49   50   52 
LCS_GDT     P    74_D     P    74_D      3    8   47      3    3    7    8    9   13   15   20   30   32   35   38   40   42   45   46   47   50   53   57 
LCS_GDT     L    75_D     L    75_D      3    8   47      3    3   15   18   22   26   29   32   34   35   37   40   42   44   47   49   52   55   57   59 
LCS_GDT     V    76_D     V    76_D      5    8   47      3    4    6    8   17   23   27   29   33   35   37   40   42   43   45   46   47   52   56   59 
LCS_GDT     G    77_D     G    77_D      5    8   47      3    4    7    8   18   23   27   29   33   35   37   40   42   43   45   46   47   52   56   59 
LCS_GDT     N    78_D     N    78_D      5    8   47      3    4    9   18   21   25   27   32   34   35   37   40   42   43   45   46   52   54   56   59 
LCS_GDT     E    79_D     E    79_D      5    8   47      3   15   19   22   25   27   30   32   35   38   40   41   43   46   48   51   53   55   57   59 
LCS_GDT     E    80_D     E    80_D      5    8   47      3    5    7   15   20   23   30   32   35   38   42   42   46   47   48   51   53   55   57   60 
LCS_GDT     E    81_D     E    81_D      3    8   47      3    3    4    4    9   16   29   32   35   38   42   42   46   47   48   51   53   55   57   60 
LCS_GDT     W    82_D     W    82_D      5    6   47      3    4    5    5    9   15   19   24   28   38   42   42   46   47   48   51   53   55   57   60 
LCS_GDT     N    83_D     N    83_D      5    6   24      3    4    5    5    6    8   10   12   14   16   22   25   30   43   47   50   53   55   57   60 
LCS_GDT     Y    84_D     Y    84_D      5    6   24      3    5    5    5    5    9   10   12   14   16   18   20   23   26   30   36   40   44   45   51 
LCS_GDT     N    85_D     N    85_D      5    6   24      3    4    5    5    6    9   10   12   14   16   18   20   23   27   31   35   41   45   48   50 
LCS_GDT     S    86_D     S    86_D      5    6   24      3    5    5    6    6    8   13   16   19   23   26   27   31   32   35   38   41   45   48   51 
LCS_GDT     D    87_D     D    87_D      4    6   24      3    5    5    5    6    8   10   12   19   21   26   27   29   30   35   38   41   45   48   50 
LCS_GDT     D    88_D     D    88_D      4    6   23      3    5    5    5    6    7   10   17   19   21   26   27   29   32   35   38   41   45   48   50 
LCS_GDT     S    89_D     S    89_D      5    7   18      3    5    5    6    8   12   14   19   20   23   26   27   31   32   35   38   41   45   48   50 
LCS_GDT     F    90_D     F    90_D      5    7   18      3    5    5    6    8   10   14   19   20   23   26   27   30   32   35   38   41   45   48   50 
LCS_GDT     Q    91_D     Q    91_D      5    7   19      3    5    5    5    8   14   16   19   20   23   26   27   31   32   35   38   41   45   48   51 
LCS_GDT     N    92_D     N    92_D      5    7   20      3    5    5    7    8   14   16   19   20   23   26   27   31   32   35   38   41   45   48   50 
LCS_GDT     N    93_D     N    93_D      5    7   20      3    5    5    7    8   14   16   19   20   23   26   27   31   32   35   38   41   45   48   50 
LCS_GDT     R    94_D     R    94_D      4    7   25      3    3    5    7    8   14   16   19   20   23   26   27   31   32   35   38   41   45   48   50 
LCS_GDT     L    95_D     L    95_D      4    7   25      3    3    5    6    8   14   16   19   20   23   26   27   31   32   35   38   41   45   48   55 
LCS_GDT     S    96_D     S    96_D      4    6   25      3    4    4    6    8    9   13   17   19   23   26   27   29   32   35   38   41   45   48   54 
LCS_GDT     A    97_D     A    97_D      4    6   25      3    4    4    6    9   14   16   19   20   23   26   27   31   32   41   49   53   55   57   60 
LCS_GDT     V    98_D     V    98_D      4    6   25      3    4    4    4    7    9   12   14   17   20   24   25   27   29   41   48   52   54   56   58 
LCS_GDT     F    99_D     F    99_D      4    6   25      3    4    5    5    7    7   12   13   15   19   24   25   27   31   36   36   40   45   54   58 
LCS_GDT     K   100_D     K   100_D      4    6   25      3    4    5    5    7    9   12   13   15   19   24   25   30   33   36   38   40   44   53   58 
LCS_GDT     T   101_D     T   101_D      4    6   25      3    4    5    5    7    9   11   13   15   19   24   26   30   33   36   38   40   44   45   51 
LCS_GDT     G   102_D     G   102_D      4    6   25      3    4    5    5    7    9   12   13   15   19   24   26   30   33   36   38   40   44   45   51 
LCS_GDT     L   103_D     L   103_D      4    6   25      0    3    5    5    7    7    9   13   16   19   21   25   30   33   36   38   40   44   55   58 
LCS_GDT     N   104_D     N   104_D      3    7   25      1    3    3    4    6    6   12   14   16   19   23   26   30   39   40   43   52   55   57   59 
LCS_GDT     G   105_D     G   105_D      4    7   25      3    4    5    7    9   11   13   14   16   19   24   42   45   46   48   51   53   55   57   60 
LCS_GDT     K   106_D     K   106_D      4    7   25      3    4    5    7    9   11   13   16   29   37   40   42   45   47   48   51   53   55   57   60 
LCS_GDT     P   107_D     P   107_D      4    7   25      3    4    5    7    9   12   16   18   28   37   40   42   46   47   48   51   53   55   57   60 
LCS_GDT     Y   108_D     Y   108_D      4    7   25      3    4    5    7    9   11   14   18   18   21   38   41   45   47   48   51   53   55   57   60 
LCS_GDT     Y   109_D     Y   109_D      4    7   25      1    4    5    6    7   10   14   17   19   22   25   28   31   42   48   50   53   57   61   65 
LCS_GDT     L   110_D     L   110_D      4    8   25      3    4    7    9   12   13   14   17   20   24   26   28   31   39   45   49   52   57   61   65 
LCS_GDT     D   111_D     D   111_D      3    8   26      3    3    5    8   11   13   17   19   21   24   25   28   28   33   38   49   51   57   61   64 
LCS_GDT     A   112_D     A   112_D      5    8   26      4    5    5    6    8    9   13   16   21   22   25   28   28   30   33   38   40   50   55   60 
LCS_GDT     I   113_D     I   113_D      5    8   26      4    5    5    7   11   13   17   19   21   24   25   28   30   33   36   38   44   50   55   60 
LCS_GDT     T   114_D     T   114_D      5    8   26      4    5    6    8   10   13   17   19   21   24   25   28   30   33   36   38   40   44   52   59 
LCS_GDT     F   115_D     F   115_D      5    8   26      4    5    5    8    9   13   17   19   21   24   25   28   30   33   36   38   40   44   48   56 
LCS_GDT     V   116_D     V   116_D      5    8   26      3    5    7    8   11   13   17   19   21   24   25   28   30   33   36   38   40   44   48   52 
LCS_GDT     G   117_D     G   117_D      5    8   26      3    4    7    8   11   13   17   19   21   24   25   28   30   33   36   38   40   44   45   51 
LCS_GDT     E   118_D     E   118_D      4    7   26      3    4    7    8    9   12   17   19   21   22   25   28   28   32   36   38   39   42   45   51 
LCS_GDT     E   119_D     E   119_D      4    7   26      3    4    7    7    8   10   13   16   20   22   24   24   27   30   31   33   36   41   43   46 
LCS_GDT     E   120_D     E   120_D      4    7   26      3    4    4    8    9   13   17   19   21   24   25   28   28   32   36   38   40   44   45   51 
LCS_GDT     Y   121_D     Y   121_D      4    7   26      3    4    4    5    8   10   14   16   20   24   25   28   30   33   36   38   40   44   45   51 
LCS_GDT     D   122_D     D   122_D      4    7   26      3    4    7    8   11   13   17   19   21   24   25   28   28   33   36   38   40   44   45   51 
LCS_GDT     T   123_D     T   123_D      4    7   26      3    3    7    8    9   13   17   19   21   24   25   28   30   33   36   38   40   44   45   51 
LCS_GDT     F   124_D     F   124_D      4    7   26      3    3    6    8   10   13   17   19   21   24   25   28   30   33   36   38   40   44   45   51 
LCS_GDT     H   125_D     H   125_D      4    7   26      1    3    6    8   11   13   17   19   21   24   25   28   30   33   36   38   40   44   45   51 
LCS_GDT     G   126_D     G   126_D      3    6   26      1    3    6    8   11   13   17   19   21   24   25   28   28   33   36   38   40   44   45   51 
LCS_GDT     H   127_D     H   127_D      3    6   26      2    3    3    7    8   13   16   19   21   24   25   28   28   30   34   38   40   44   45   51 
LCS_GDT     V   128_D     V   128_D      3    6   26      0    3    6    8   11   13   17   19   21   24   25   28   28   30   34   38   40   44   45   51 
LCS_GDT     E   129_D     E   129_D      3    6   26      3    3    4    8   11   13   17   19   21   24   25   28   28   30   33   38   40   44   45   51 
LCS_GDT     G   130_D     G   130_D      3    5   26      3    3    3    5    9   13   17   19   21   24   25   28   28   30   34   38   40   44   45   51 
LCS_GDT     I   131_D     I   131_D      5    8   26      3    4    6    7    7    9   12   14   17   21   22   23   25   28   31   34   40   43   45   51 
LCS_GDT     S   132_D     S   132_D      5    8   26      3    4    6    7    7    9   11   12   14   15   21   22   24   26   28   29   37   43   45   51 
LCS_GDT     S   133_D     S   133_D      5    8   26      3    4    6    7    7    9   11   12   14   14   15   17   18   21   22   25   28   32   34   42 
LCS_GDT     R   134_D     R   134_D      5    8   26      3    4    6    7    7    9   11   12   14   14   16   21   23   24   25   26   28   31   34   35 
LCS_GDT     Q   135_D     Q   135_D      5    8   26      3    3    6    7    7    9   12   14   17   20   21   23   24   27   28   32   37   43   45   51 
LCS_GDT     Y   136_D     Y   136_D      5    8   26      4    4    5    6    7    9   11   13   15   18   21   23   24   27   28   32   40   43   45   51 
LCS_GDT     L   137_D     L   137_D      5    8   15      4    4    5    6    7    9   11   12   14   14   15   17   19   23   28   34   35   40   48   49 
LCS_GDT     K   138_D     K   138_D      5    8   15      4    4    5    7    7    9   11   12   14   14   15   17   22   27   31   34   41   45   48   50 
LCS_GDT     G   139_D     G   139_D      5    7   15      4    4    5    5    8    9   11   12   16   19   23   25   29   32   35   38   43   50   56   57 
LCS_GDT     F   140_D     F   140_D      5    7   15      3    4    7    8    8    9   11   12   16   19   22   23   33   39   41   41   44   50   56   57 
LCS_GDT     P   141_D     P   141_D      5    7   15      3    5    7    8    8    9   13   14   18   20   31   34   37   39   41   43   48   51   55   58 
LCS_GDT     F   142_D     F   142_D      5    7   15      1    4    4    8    9   10   13   21   26   32   34   37   46   47   48   51   53   55   57   60 
LCS_GDT     F   143_D     F   143_D      5    7   15      3    5    7    8    8   13   18   24   27   30   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     P   144_D     P   144_D      5    7   16      3    5    7    9   15   17   21   27   33   37   39   42   44   46   52   55   59   60   63   66 
LCS_GDT     K   145_D     K   145_D      5    7   16      3    5    7    9   11   14   16   16   20   22   29   32   37   44   52   55   59   60   63   66 
LCS_GDT     T   146_D     T   146_D      5    8   16      3    5    8    9   11   14   16   16   20   24   29   32   37   40   47   55   59   60   63   66 
LCS_GDT     F   147_D     F   147_D      5   10   16      3    5    8    9   11   11   16   16   20   22   24   29   32   40   42   45   50   53   62   64 
LCS_GDT     Y   148_D     Y   148_D      5   10   16      3    5    5    7    9   14   16   18   21   26   30   32   37   42   52   55   59   60   63   66 
LCS_GDT     I   149_D     I   149_D      6   10   16      4    5    6    7    8   11   15   16   19   24   29   32   35   40   45   51   59   60   63   66 
LCS_GDT     N   150_D     N   150_D      6   10   16      4    5    6    8    8   10   12   15   18   20   22   32   35   40   47   51   59   60   63   66 
LCS_GDT     V   151_D     V   151_D      6   10   16      4    5    6    8    8   10   12   12   12   13   14   18   19   24   30   37   47   56   63   66 
LCS_GDT     Y   152_D     Y   152_D      6   10   16      4    5    6    8    8   10   12   12   12   13   13   13   15   16   19   23   31   35   48   59 
LCS_GDT     K   153_D     K   153_D      6   10   16      4    5    6    8    8   10   12   12   12   13   13   13   15   16   19   22   28   32   39   50 
LCS_GDT     D   154_D     D   154_D      6   10   16      4    5    6    8    8   10   12   12   12   13   13   13   15   18   22   27   29   32   32   36 
LCS_GDT     F   155_D     F   155_D      6   10   16      4    5    6    8    8   10   12   12   12   13   13   13   15   18   22   27   29   32   32   36 
LCS_GDT     E   156_D     E   156_D      5   10   16      3    5    6    8    8   10   12   12   12   13   13   13   15   18   22   27   29   32   32   36 
LCS_GDT     N   157_D     N   157_D      5    9   16      4    4    5    8    8   10   12   12   12   13   13   13   15   18   22   27   29   32   32   36 
LCS_GDT     K   158_D     K   158_D      5    6   16      4    4    5    6    7    8   10   10   12   13   13   13   15   18   22   27   29   32   32   36 
LCS_GDT     D   159_D     D   159_D      5    6   17      4    4    5    5    6    6    8    9   10   11   13   13   15   18   22   27   29   32   32   36 
LCS_GDT     E   160_D     E   160_D      5    8   18      4    4    5    5    6    6    8    8    9    9   11   13   14   16   18   19   24   26   32   36 
LCS_GDT     N   161_D     N   161_D      5    8   18      2    4    5    7    7    8    9   11   11   12   14   15   17   17   20   22   24   31   32   36 
LCS_GDT     N   162_D     N   162_D      5    8   18      4    5    5    7    7    8    9   11   12   13   15   16   17   17   20   24   28   31   33   35 
LCS_GDT     L   163_D     L   163_D      5    8   18      4    5    5    7    7    8    9   11   12   13   15   16   17   17   20   22   24   28   39   50 
LCS_GDT     C   164_D     C   164_D      5    8   18      4    5    5    7    7    8   12   12   13   13   15   16   17   17   22   26   32   47   55   60 
LCS_GDT     S   165_D     S   165_D      5    8   18      4    5    5    7    7    8   10   12   13   13   15   16   17   17   29   34   41   48   53   60 
LCS_GDT     G   166_D     G   166_D      5    8   18      4    5    5    7    7   10   12   12   13   13   22   26   29   30   34   35   38   44   52   58 
LCS_GDT     D   167_D     D   167_D      4    8   18      3    3    4    7    7    8   12   19   21   23   24   26   29   30   34   34   35   43   47   56 
LCS_GDT     D   168_D     D   168_D      4    9   18      3    4    6    8    9   10   17   18   20   23   24   25   27   29   34   34   35   38   45   48 
LCS_GDT     G   169_D     G   169_D      4    9   18      3    4    6    8    9   10   12   12   13   13   15   25   27   30   34   34   35   38   45   48 
LCS_GDT     E   170_D     E   170_D      4    9   18      3    4    6    8    9   10   12   12   13   13   15   16   17   19   23   30   33   37   40   46 
LCS_GDT     Y   171_D     Y   171_D      5    9   18      4    5    5    6    9   10   12   12   13   13   15   16   17   19   25   30   35   39   44   47 
LCS_GDT     T   172_D     T   172_D      5    9   19      4    5    6    8    9   10   12   12   13   13   15   16   18   19   25   34   41   48   55   60 
LCS_GDT     Y   173_D     Y   173_D      5    9   19      4    5    6    8    9   10   12   12   13   13   15   20   26   28   39   47   51   57   63   66 
LCS_GDT     R   174_D     R   174_D      5    9   19      4    5    6    8    9   10   12   15   17   32   39   42   44   46   52   55   59   60   63   66 
LCS_GDT     I   175_D     I   175_D      5   14   19      3    6    7    8   12   13   19   26   31   37   39   42   44   46   52   55   59   60   63   66 
LCS_GDT     K   176_D     K   176_D      5   14   19      4    9   12   16   19   23   27   31   33   37   39   42   44   46   52   55   59   60   63   66 
LCS_GDT     Y   177_D     Y   177_D      5   14   19      3    4    5    9   14   23   27   31   33   37   39   42   44   46   52   55   59   60   63   66 
LCS_GDT     P   178_D     P   178_D      5   14   19      8    9   10   19   21   23   27   31   33   37   40   42   44   46   52   55   59   60   63   66 
LCS_GDT     E   179_D     E   179_D      5   14   19      4    6   10   16   19   23   27   31   33   37   40   42   44   46   52   55   59   60   63   66 
LCS_GDT     Q   180_D     Q   180_D      5   14   19      4    6    7   17   23   27   30   32   35   38   42   42   45   46   52   55   59   60   63   66 
LCS_GDT     L   181_D     L   181_D      8   14   19      5    9   12   18   23   27   30   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     E   182_D     E   182_D      8   14   19      8    9   12   16   25   27   30   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     E   183_D     E   183_D      8   14   19      8    9   12   16   25   27   30   32   35   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     V   184_D     V   184_D      8   14   19      8    9   12   16   19   23   27   31   33   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     F   185_D     F   185_D      8   14   19      8    9   12   16   19   23   27   31   33   38   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     N   186_D     N   186_D      8   14   19      8    9   12   16   19   23   27   31   33   37   42   42   46   47   52   55   59   60   63   66 
LCS_GDT     Y   187_D     Y   187_D      8   14   19      8    9   12   16   19   23   27   31   33   37   39   42   46   47   52   55   59   60   63   66 
LCS_GDT     Y   188_D     Y   188_D      8   14   19      8    9   12   16   19   23   27   31   33   37   39   42   44   46   52   55   59   60   63   66 
LCS_GDT     D   189_D     D   189_D      5   14   19      3    4    7   10   14   23   27   31   33   37   39   42   44   46   52   55   59   60   63   66 
LCS_GDT     K   190_D     K   190_D      5    5   19      3    4    5    5    8    8   10   12   14   17   19   31   38   41   45   49   53   57   63   66 
LCS_GDT     F   191_D     F   191_D      5    5   19      3    4    5    5    6    7    7    8   11   14   18   20   23   26   35   39   47   51   56   60 
LCS_GDT     T   192_D     T   192_D      5    5   16      2    4    5    5    6    7    7    7   10   11   13   15   19   21   25   32   38   41   48   56 
LCS_AVERAGE  LCS_A:   8.95  (   4.15    6.26   16.45 )

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     10     15     19     22     25     27     30     32     35     38     42     42     46     47     52     55     59     60     63     66 
GDT PERCENT_AT   5.21   7.81   9.90  11.46  13.02  14.06  15.62  16.67  18.23  19.79  21.88  21.88  23.96  24.48  27.08  28.65  30.73  31.25  32.81  34.38
GDT RMS_LOCAL    0.23   0.52   0.78   0.99   1.48   1.66   2.02   2.30   2.66   3.02   3.58   3.58   4.11   4.20   4.98   5.21   5.46   5.54   5.89   6.25
GDT RMS_ALL_AT  23.52  23.37  23.70  23.69  24.03  23.53  23.43  23.78  23.21  22.81  22.22  22.22  21.95  21.92  19.74  19.80  19.85  19.83  19.70  19.82

# Checking swapping
#   possible swapping detected:  F    11_D      F    11_D
#   possible swapping detected:  D    23_D      D    23_D
#   possible swapping detected:  E    24_D      E    24_D
#   possible swapping detected:  E    30_D      E    30_D
#   possible swapping detected:  F    42_D      F    42_D
#   possible swapping detected:  E    79_D      E    79_D
#   possible swapping detected:  E    80_D      E    80_D
#   possible swapping detected:  E    81_D      E    81_D
#   possible swapping detected:  Y    84_D      Y    84_D
#   possible swapping detected:  D    88_D      D    88_D
#   possible swapping detected:  F    99_D      F    99_D
#   possible swapping detected:  D   111_D      D   111_D
#   possible swapping detected:  E   118_D      E   118_D
#   possible swapping detected:  E   119_D      E   119_D
#   possible swapping detected:  E   120_D      E   120_D
#   possible swapping detected:  F   143_D      F   143_D
#   possible swapping detected:  Y   148_D      Y   148_D
#   possible swapping detected:  D   154_D      D   154_D
#   possible swapping detected:  E   156_D      E   156_D
#   possible swapping detected:  E   160_D      E   160_D
#   possible swapping detected:  E   170_D      E   170_D
#   possible swapping detected:  Y   173_D      Y   173_D
#   possible swapping detected:  E   182_D      E   182_D
#   possible swapping detected:  E   183_D      E   183_D
#   possible swapping detected:  Y   187_D      Y   187_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_D      M     1_D    20.374     0    0.010   0.785    26.928    0.000    0.000
LGA    N     2_D      N     2_D    19.798     0    0.197   0.410    21.362    0.000    0.000
LGA    S     3_D      S     3_D    18.310     0    0.253   0.310    20.353    0.000    0.000
LGA    I     4_D      I     4_D    23.560     0    0.264   1.362    27.483    0.000    0.000
LGA    T     5_D      T     5_D    28.698     0    0.055   1.122    30.923    0.000    0.000
LGA    H     6_D      H     6_D    27.470     0    0.058   1.326    29.086    0.000    0.000
LGA    A     7_D      A     7_D    26.719     0    0.027   0.029    30.502    0.000    0.000
LGA    E     8_D      E     8_D    32.550     0    0.027   1.183    35.923    0.000    0.000
LGA    F     9_D      F     9_D    35.169     0    0.033   1.149    40.584    0.000    0.000
LGA    E    10_D      E    10_D    32.918     0    0.030   0.957    35.518    0.000    0.000
LGA    F    11_D      F    11_D    35.825     0    0.028   0.449    39.849    0.000    0.000
LGA    S    12_D      S    12_D    41.231     0    0.060   0.720    44.136    0.000    0.000
LGA    L    13_D      L    13_D    41.306     0    0.045   1.185    43.390    0.000    0.000
LGA    L    14_D      L    14_D    40.724     0    0.047   0.268    44.242    0.000    0.000
LGA    E    15_D      E    15_D    45.630     0    0.035   1.021    49.652    0.000    0.000
LGA    N    16_D      N    16_D    49.548     0    0.153   1.120    52.156    0.000    0.000
LGA    V    17_D      V    17_D    49.554     0    0.653   0.557    50.747    0.000    0.000
LGA    K    18_D      K    18_D    51.721     0    0.272   1.015    58.231    0.000    0.000
LGA    Y    19_D      Y    19_D    49.332     0    0.666   1.383    50.076    0.000    0.000
LGA    E    20_D      E    20_D    48.849     0    0.639   1.519    54.881    0.000    0.000
LGA    T    21_D      T    21_D    42.027     0    0.617   0.659    44.398    0.000    0.000
LGA    E    22_D      E    22_D    38.393     0    0.106   1.333    40.097    0.000    0.000
LGA    D    23_D      D    23_D    39.015     0    0.089   0.348    43.027    0.000    0.000
LGA    E    24_D      E    24_D    37.785     0    0.110   1.232    43.262    0.000    0.000
LGA    V    25_D      V    25_D    32.632     0    0.612   0.601    34.684    0.000    0.000
LGA    P    26_D      P    26_D    31.283     0    0.626   0.903    34.644    0.000    0.000
LGA    I    27_D      I    27_D    28.665     0    0.057   0.194    31.853    0.000    0.000
LGA    V    28_D      V    28_D    23.340     0    0.085   0.986    25.504    0.000    0.000
LGA    L    29_D      L    29_D    23.693     0    0.059   0.173    28.085    0.000    0.000
LGA    E    30_D      E    30_D    24.214     0    0.061   1.262    26.359    0.000    0.000
LGA    Y    31_D      Y    31_D    20.405     0    0.334   0.500    24.969    0.000    0.000
LGA    K    32_D      K    32_D    17.911     0    0.066   0.098    19.139    0.000    0.000
LGA    E    33_D      E    33_D    16.617     0    0.035   0.787    18.048    0.000    0.000
LGA    E    34_D      E    34_D    15.859     0    0.046   1.273    23.149    0.000    0.000
LGA    I    35_D      I    35_D    13.466     0    0.063   0.680    17.434    0.000    0.000
LGA    I    36_D      I    36_D    11.200     0    0.035   0.669    13.842    0.714    0.357
LGA    N    37_D      N    37_D    10.147     0    0.047   0.122    12.662    0.833    0.417
LGA    L    38_D      L    38_D    10.002     0    0.037   1.399    13.218    2.500    1.250
LGA    I    39_D      I    39_D     7.266     0    0.040   0.722     8.470   14.524   12.560
LGA    K    40_D      K    40_D     5.560     0    0.068   0.132     8.477   25.476   17.989
LGA    K    41_D      K    41_D     6.398     0    0.024   0.622    10.412   18.214    9.788
LGA    F    42_D      F    42_D     6.023     0    0.068   1.063     7.432   24.286   17.403
LGA    S    43_D      S    43_D     2.760     0    0.152   0.665     3.946   53.690   53.810
LGA    N    44_D      N    44_D     3.594     0    0.304   0.782     6.065   35.476   46.488
LGA    S    45_D      S    45_D     6.091     0    0.500   0.480     7.472   20.000   19.127
LGA    G    46_D      G    46_D     4.974     0    0.069   0.069     4.974   32.857   32.857
LGA    Q    47_D      Q    47_D     4.645     0    0.590   0.996     6.436   29.286   24.497
LGA    S    48_D      S    48_D     2.574     0    0.106   0.148     3.155   61.190   59.841
LGA    G    49_D      G    49_D     1.507     0    0.228   0.228     2.485   75.238   75.238
LGA    M    50_D      M    50_D     2.389     0    0.043   0.658     4.880   64.881   54.405
LGA    S    51_D      S    51_D     1.415     0    0.068   0.158     1.625   77.143   83.175
LGA    A    52_D      A    52_D     1.462     0    0.073   0.084     1.519   79.286   79.714
LGA    P    53_D      P    53_D     1.611     0    0.084   0.645     3.411   72.857   69.592
LGA    I    54_D      I    54_D     1.506     0    0.037   0.205     1.650   79.286   77.143
LGA    T    55_D      T    55_D     1.170     0    0.056   1.086     2.837   81.429   76.735
LGA    A    56_D      A    56_D     1.395     0    0.046   0.043     1.526   81.429   79.714
LGA    S    57_D      S    57_D     1.639     0    0.058   0.670     3.475   72.857   69.048
LGA    I    58_D      I    58_D     1.284     0    0.074   0.237     1.412   81.429   81.429
LGA    I    59_D      I    59_D     1.436     0    0.041   0.928     4.021   81.429   67.976
LGA    T    60_D      T    60_D     1.274     0    0.084   1.080     3.824   83.690   73.810
LGA    N    61_D      N    61_D     0.637     0    0.054   0.865     4.069   95.238   79.762
LGA    C    62_D      C    62_D     0.131     0    0.040   0.762     3.103  100.000   91.667
LGA    I    63_D      I    63_D     0.526     0    0.018   0.065     0.911   92.857   92.857
LGA    K    64_D      K    64_D     0.990     0    0.020   0.965     4.138   88.214   75.873
LGA    N    65_D      N    65_D     0.802     0    0.057   0.137     1.541   83.810   90.714
LGA    L    66_D      L    66_D     1.212     0    0.049   1.405     3.619   81.548   74.702
LGA    M    67_D      M    67_D     1.748     0    0.113   1.001     5.473   69.048   60.655
LGA    A    68_D      A    68_D     1.947     0    0.283   0.288     2.382   68.810   68.000
LGA    F    69_D      F    69_D     2.437     0    0.370   1.415    11.802   59.167   26.147
LGA    K    70_D      K    70_D     6.648     0    0.667   1.199    17.103   15.595    7.249
LGA    P    71_D      P    71_D     9.638     0    0.659   1.030    12.276    1.310    0.748
LGA    I    72_D      I    72_D    11.271     0    0.554   0.570    14.829    0.119    0.060
LGA    G    73_D      G    73_D    10.484     0    0.456   0.456    10.484    0.238    0.238
LGA    P    74_D      P    74_D     8.959     0    0.395   0.454    11.871    7.381    4.218
LGA    L    75_D      L    75_D     3.586     0    0.536   0.514     5.998   29.286   37.917
LGA    V    76_D      V    76_D     6.899     0    0.590   1.008     9.111   11.548   13.537
LGA    G    77_D      G    77_D     7.080     0    0.031   0.031     7.368   12.619   12.619
LGA    N    78_D      N    78_D     4.516     0    0.098   1.167     9.507   52.976   31.012
LGA    E    79_D      E    79_D     1.353     0    0.090   0.683     6.515   58.095   48.466
LGA    E    80_D      E    80_D     7.076     0    0.673   1.229     9.230   14.762    8.413
LGA    E    81_D      E    81_D     9.411     0    0.204   0.551    12.137    1.548    0.741
LGA    W    82_D      W    82_D    11.155     0    0.662   1.459    13.886    0.000    1.395
LGA    N    83_D      N    83_D    16.963     0    0.510   1.214    21.140    0.000    0.000
LGA    Y    84_D      Y    84_D    22.468     0    0.345   1.241    26.853    0.000    0.000
LGA    N    85_D      N    85_D    28.645     0    0.359   1.066    31.954    0.000    0.000
LGA    S    86_D      S    86_D    31.724     0    0.319   0.929    32.617    0.000    0.000
LGA    D    87_D      D    87_D    35.781     0    0.080   1.187    39.804    0.000    0.000
LGA    D    88_D      D    88_D    34.814     0    0.549   0.747    39.729    0.000    0.000
LGA    S    89_D      S    89_D    30.599     0    0.594   0.534    31.953    0.000    0.000
LGA    F    90_D      F    90_D    28.394     0    0.125   1.089    33.001    0.000    0.000
LGA    Q    91_D      Q    91_D    26.974     0    0.181   0.334    32.528    0.000    0.000
LGA    N    92_D      N    92_D    20.835     0    0.160   0.575    22.733    0.000    0.000
LGA    N    93_D      N    93_D    21.172     0    0.162   0.206    24.995    0.000    0.000
LGA    R    94_D      R    94_D    18.468     0    0.372   1.179    20.602    0.000    0.000
LGA    L    95_D      L    95_D    17.130     0    0.575   0.522    18.279    0.000    0.000
LGA    S    96_D      S    96_D    17.233     0    0.175   0.664    18.726    0.000    0.000
LGA    A    97_D      A    97_D    14.922     0    0.084   0.083    15.424    0.000    0.000
LGA    V    98_D      V    98_D    13.130     0    0.614   0.564    14.124    0.000    0.000
LGA    F    99_D      F    99_D    16.682     0    0.686   1.429    21.205    0.000    0.000
LGA    K   100_D      K   100_D    15.969     0    0.195   0.612    16.782    0.000    0.000
LGA    T   101_D      T   101_D    18.653     0    0.308   1.052    23.000    0.000    0.000
LGA    G   102_D      G   102_D    17.567     0    0.655   0.655    17.788    0.000    0.000
LGA    L   103_D      L   103_D    12.611     0    0.643   1.456    16.769    0.000    0.000
LGA    N   104_D      N   104_D     8.732     0    0.696   0.584    12.752    1.071    0.774
LGA    G   105_D      G   105_D    10.220     0    0.665   0.665    10.220    0.952    0.952
LGA    K   106_D      K   106_D     8.773     0    0.213   0.719    10.061    0.952   10.317
LGA    P   107_D      P   107_D    10.772     0    0.083   0.354    11.418    0.119    0.136
LGA    Y   108_D      Y   108_D    12.346     0    0.687   1.374    14.287    0.000    0.000
LGA    Y   109_D      Y   109_D    16.409     0    0.376   0.443    22.580    0.000    0.000
LGA    L   110_D      L   110_D    19.440     0    0.437   1.286    21.761    0.000    0.000
LGA    D   111_D      D   111_D    18.113     0    0.565   0.535    19.986    0.000    0.000
LGA    A   112_D      A   112_D    18.586     0    0.333   0.332    20.428    0.000    0.000
LGA    I   113_D      I   113_D    19.919     0    0.035   0.133    21.578    0.000    0.000
LGA    T   114_D      T   114_D    21.751     0    0.066   1.140    23.540    0.000    0.000
LGA    F   115_D      F   115_D    23.697     0    0.177   0.566    24.459    0.000    0.000
LGA    V   116_D      V   116_D    25.935     0    0.249   0.274    28.152    0.000    0.000
LGA    G   117_D      G   117_D    31.353     0    0.203   0.203    31.353    0.000    0.000
LGA    E   118_D      E   118_D    32.865     0    0.473   0.930    34.428    0.000    0.000
LGA    E   119_D      E   119_D    38.279     0    0.703   0.643    41.858    0.000    0.000
LGA    E   120_D      E   120_D    40.358     0    0.065   0.732    45.952    0.000    0.000
LGA    Y   121_D      Y   121_D    39.178     0    0.340   1.359    39.992    0.000    0.000
LGA    D   122_D      D   122_D    37.543     0    0.321   1.000    41.009    0.000    0.000
LGA    T   123_D      T   123_D    32.617     0    0.452   0.539    34.833    0.000    0.000
LGA    F   124_D      F   124_D    31.760     0    0.278   1.386    35.087    0.000    0.000
LGA    H   125_D      H   125_D    31.054     0    0.071   1.277    34.649    0.000    0.000
LGA    G   126_D      G   126_D    33.811     0    0.436   0.436    34.122    0.000    0.000
LGA    H   127_D      H   127_D    36.845     0    0.606   1.363    41.663    0.000    0.000
LGA    V   128_D      V   128_D    35.297     0    0.161   1.132    35.324    0.000    0.000
LGA    E   129_D      E   129_D    37.245     0    0.430   1.178    38.890    0.000    0.000
LGA    G   130_D      G   130_D    36.450     0    0.062   0.062    36.698    0.000    0.000
LGA    I   131_D      I   131_D    35.498     0    0.620   0.786    37.658    0.000    0.000
LGA    S   132_D      S   132_D    32.634     0    0.062   0.114    33.323    0.000    0.000
LGA    S   133_D      S   133_D    27.169     0    0.306   0.312    29.694    0.000    0.000
LGA    R   134_D      R   134_D    26.984     0    0.592   1.522    33.759    0.000    0.000
LGA    Q   135_D      Q   135_D    25.870     0    0.567   1.383    27.549    0.000    0.000
LGA    Y   136_D      Y   136_D    23.480     0    0.440   1.386    26.750    0.000    0.000
LGA    L   137_D      L   137_D    22.048     0    0.041   1.012    24.837    0.000    0.000
LGA    K   138_D      K   138_D    20.873     0    0.487   0.758    23.930    0.000    0.000
LGA    G   139_D      G   139_D    22.845     0    0.190   0.190    22.845    0.000    0.000
LGA    F   140_D      F   140_D    19.525     0    0.098   1.231    24.686    0.000    0.000
LGA    P   141_D      P   141_D    14.905     0    0.291   0.483    17.724    0.000    0.000
LGA    F   142_D      F   142_D    10.951     0    0.228   1.304    12.842    0.000    0.000
LGA    F   143_D      F   143_D     9.832     0    0.265   1.350    13.334    0.238    0.606
LGA    P   144_D      P   144_D    15.880     0    0.192   0.261    17.920    0.000    0.000
LGA    K   145_D      K   145_D    18.108     0    0.318   0.696    20.204    0.000    0.000
LGA    T   146_D      T   146_D    20.581     0    0.224   1.137    23.905    0.000    0.000
LGA    F   147_D      F   147_D    19.621     0    0.098   1.347    19.936    0.000    0.000
LGA    Y   148_D      Y   148_D    19.671     0    0.126   1.381    20.242    0.000    0.000
LGA    I   149_D      I   149_D    19.393     0    0.506   0.579    20.316    0.000    0.000
LGA    N   150_D      N   150_D    20.587     0    0.077   1.304    22.551    0.000    0.000
LGA    V   151_D      V   151_D    19.683     0    0.043   1.076    21.100    0.000    0.000
LGA    Y   152_D      Y   152_D    20.493     0    0.103   0.177    26.558    0.000    0.000
LGA    K   153_D      K   153_D    20.643     0    0.152   1.048    21.337    0.000    0.000
LGA    D   154_D      D   154_D    21.707     0    0.125   0.950    25.921    0.000    0.000
LGA    F   155_D      F   155_D    21.551     0    0.601   0.975    23.021    0.000    0.000
LGA    E   156_D      E   156_D    23.486     0    0.299   1.063    27.276    0.000    0.000
LGA    N   157_D      N   157_D    25.827     0    0.312   0.551    28.237    0.000    0.000
LGA    K   158_D      K   158_D    23.666     0    0.083   0.728    25.727    0.000    0.000
LGA    D   159_D      D   159_D    24.721     0    0.100   0.353    25.985    0.000    0.000
LGA    E   160_D      E   160_D    24.480     0    0.626   1.231    25.315    0.000    0.000
LGA    N   161_D      N   161_D    23.402     0    0.663   0.610    27.212    0.000    0.000
LGA    N   162_D      N   162_D    20.993     0    0.338   1.106    23.409    0.000    0.000
LGA    L   163_D      L   163_D    25.851     0    0.083   0.186    28.996    0.000    0.000
LGA    C   164_D      C   164_D    29.150     0    0.063   0.081    32.207    0.000    0.000
LGA    S   165_D      S   165_D    34.869     0    0.048   0.661    36.036    0.000    0.000
LGA    G   166_D      G   166_D    39.857     0    0.114   0.114    42.253    0.000    0.000
LGA    D   167_D      D   167_D    44.577     0    0.761   1.313    46.468    0.000    0.000
LGA    D   168_D      D   168_D    45.772     0    0.159   1.344    48.679    0.000    0.000
LGA    G   169_D      G   169_D    43.032     0    0.486   0.486    43.724    0.000    0.000
LGA    E   170_D      E   170_D    39.179     0    0.158   1.070    40.990    0.000    0.000
LGA    Y   171_D      Y   171_D    33.675     0    0.144   1.328    38.557    0.000    0.000
LGA    T   172_D      T   172_D    26.411     0    0.107   0.847    29.039    0.000    0.000
LGA    Y   173_D      Y   173_D    20.788     0    0.082   1.365    22.637    0.000    0.000
LGA    R   174_D      R   174_D    15.964     0    0.098   1.085    22.915    0.000    0.000
LGA    I   175_D      I   175_D    10.985     0    0.117   0.669    12.222    0.000    1.607
LGA    K   176_D      K   176_D    13.707     0    0.413   1.079    15.680    0.000    0.000
LGA    Y   177_D      Y   177_D    12.379     0    0.584   1.398    17.972    0.000    0.000
LGA    P   178_D      P   178_D     6.610     0    0.411   0.561    11.278   19.881   12.789
LGA    E   179_D      E   179_D     5.242     0    0.179   1.245    10.396   30.476   15.291
LGA    Q   180_D      Q   180_D     2.937     0    0.198   1.005     7.436   61.667   46.243
LGA    L   181_D      L   181_D     3.376     0    0.224   1.364     7.488   48.571   33.750
LGA    E   182_D      E   182_D     3.205     0    0.119   0.835     7.551   46.071   37.937
LGA    E   183_D      E   183_D     3.105     0    0.048   0.983     6.125   38.929   55.238
LGA    V   184_D      V   184_D     7.129     0    0.049   0.062     9.880   10.357    8.027
LGA    F   185_D      F   185_D     9.195     0    0.206   1.018    10.974    2.262    1.255
LGA    N   186_D      N   186_D    10.206     0    0.152   0.178    12.085    0.357    1.131
LGA    Y   187_D      Y   187_D    11.644     0    0.032   0.619    15.063    0.000    0.000
LGA    Y   188_D      Y   188_D    15.136     0    0.595   1.066    16.333    0.000    0.000
LGA    D   189_D      D   189_D    19.283     0    0.611   1.424    23.085    0.000    0.000
LGA    K   190_D      K   190_D    22.169     0    0.107   0.750    27.905    0.000    0.000
LGA    F   191_D      F   191_D    25.237     0    0.636   0.980    30.578    0.000    0.000
LGA    T   192_D      T   192_D    31.354     0    0.631   0.531    34.429    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      192     768    768  100.00    1575   1575  100.00               192
SUMMARY(RMSD_GDC):    18.218         18.202                 18.455           12.792   11.653

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  194  192    4.0     32    2.30    16.146    13.889     1.336

LGA_LOCAL      RMSD:   2.296  Number of atoms:   32  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.778  Number of assigned atoms:  192 
Std_ASGN_ATOMS RMSD:  18.218  Standard rmsd on all 192 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.700202 * X  +  -0.337874 * Y  +   0.628935 * Z  +  23.781675
  Y_new =  -0.384809 * X  +  -0.563412 * Y  +  -0.731088 * Z  +  -0.849753
  Z_new =   0.601365 * X  +  -0.753928 * Y  +   0.264485 * Z  + -67.163261 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.639081 -0.645208 -1.233400   [DEG: -151.2082  -36.9677  -70.6686 ]
ZXZ:  0.710428  1.303126  2.468291   [DEG:   40.7045   74.6636  141.4227 ]
 
# END of job
