
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  142 ( 1166),  selected  132 , name one
# Molecule2: number of CA atoms  132 ( 1073),  selected  132 , 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:    36       3_A - 38_A        4.94    24.34
  LCS_AVERAGE:     23.23

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19     116_A - 134_A       1.39    28.66
  LCS_AVERAGE:      9.29

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18     117_A - 134_A       0.70    29.12
  LCS_AVERAGE:      5.85

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
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     D     3_A     D     3_A      3    5   36      2    3    5   10   16   21   26   31   33   36   39   45   48   49   49   51   54   55   55   59 
LCS_GDT     V     4_A     V     4_A      4    8   36      3    5   11   14   17   21   26   31   33   36   39   45   48   49   49   51   54   55   55   59 
LCS_GDT     D     5_A     D     5_A      4    8   36      3    5   11   14   17   21   26   31   33   36   39   45   48   49   49   51   54   55   55   56 
LCS_GDT     K     6_A     K     6_A      4    8   36      3    4    5    7   10   19   21   26   30   36   39   45   48   49   49   51   54   55   55   56 
LCS_GDT     R     7_A     R     7_A      4    9   36      3    4    5   11   16   19   23   26   31   36   39   45   48   49   49   51   54   55   55   56 
LCS_GDT     K     8_A     K     8_A      4    9   36      3    4    5   10   11   15   21   26   27   33   39   45   48   49   49   51   54   55   55   56 
LCS_GDT     I     9_A     I     9_A      6    9   36      3    4    9   12   15   19   23   25   27   29   38   45   48   49   49   51   54   55   55   56 
LCS_GDT     K    10_A     K    10_A      6    9   36      3    4    7   10   14   19   23   26   27   29   38   45   48   49   49   51   54   55   55   56 
LCS_GDT     I    11_A     I    11_A      6    9   36      3    4    7   10   17   19   23   26   28   36   39   45   48   49   49   51   54   55   58   62 
LCS_GDT     I    12_A     I    12_A      6    9   36      3    4    7   10   17   19   23   26   30   36   39   45   48   49   49   51   54   55   58   62 
LCS_GDT     L    13_A     L    13_A      6   15   36      3    7    9   14   17   20   26   31   33   36   39   45   48   49   49   51   54   55   58   62 
LCS_GDT     N    14_A     N    14_A      6   15   36      3    6   11   14   17   21   26   31   33   36   39   45   48   49   49   51   54   55   58   62 
LCS_GDT     G    15_A     G    15_A      3   16   36      3    6   11   13   17   20   23   27   33   36   39   45   48   49   49   51   54   55   58   62 
LCS_GDT     E    16_A     E    16_A      4   16   36      3   12   13   14   17   21   26   31   33   36   39   45   48   49   49   51   54   55   58   62 
LCS_GDT     M    17_A     M    17_A      4   16   36      3    4   11   14   17   20   25   31   33   36   39   45   48   49   49   51   54   55   55   62 
LCS_GDT     E    18_A     E    18_A      5   16   36      4    6   11   14   17   21   26   31   33   36   39   45   48   49   49   51   54   55   57   62 
LCS_GDT     E    19_A     E    19_A      5   16   36      4    6   11   14   17   21   26   31   33   36   39   45   48   49   49   51   54   55   55   59 
LCS_GDT     A    20_A     A    20_A      5   16   36      4    6   11   14   17   21   26   31   33   36   39   45   48   49   49   51   54   55   57   62 
LCS_GDT     E    21_A     E    21_A      5   16   36      4    6   11   14   17   21   26   31   33   36   39   43   48   49   49   51   54   55   57   61 
LCS_GDT     L    22_A     L    22_A      5   16   36      3    6   11   14   17   21   26   31   33   36   39   45   48   49   49   51   54   55   58   62 
LCS_GDT     H    23_A     H    23_A      5   16   36      3    5    9   13   16   20   26   31   33   36   39   43   48   49   49   51   54   55   58   62 
LCS_GDT     M    24_A     M    24_A      5   16   36      4    5   11   14   17   21   26   31   33   36   39   45   48   49   49   51   54   55   58   62 
LCS_GDT     I    25_A     I    25_A      5   16   36      4    6   11   14   17   21   26   31   33   36   39   45   48   49   49   51   54   55   58   63 
LCS_GDT     T    26_A     T    26_A      5   16   36      4    4    7   13   16   21   26   31   33   36   39   45   48   49   49   51   54   56   59   64 
LCS_GDT     S    27_A     S    27_A      5   16   36      4    6   11   14   17   21   26   31   33   36   39   45   48   49   49   51   54   56   59   66 
LCS_GDT     P    28_A     P    28_A      5   16   36      3    5    9   13   16   21   26   31   33   36   39   45   48   49   49   51   54   56   59   66 
LCS_GDT     N    29_A     N    29_A      5   16   36      3    5   11   14   17   21   26   31   33   36   39   45   48   49   49   51   54   56   63   67 
LCS_GDT     R    30_A     R    30_A      7   16   36      4    7   11   14   17   21   26   31   33   36   39   45   48   49   49   51   54   58   63   67 
LCS_GDT     H    31_A     H    31_A      7   16   36      4    7   11   14   17   21   26   31   33   36   39   45   48   49   49   51   54   58   63   67 
LCS_GDT     C    32_A     C    32_A      8   16   36      4    7   11   14   17   21   26   31   33   36   39   45   48   49   49   51   54   58   63   67 
LCS_GDT     C    33_A     C    33_A      8   16   36      4    7   11   12   16   20   23   26   28   36   38   42   46   49   49   51   54   58   63   67 
LCS_GDT     L    34_A     L    34_A      8   16   36      3    7   11   13   16   20   25   31   33   36   39   45   48   49   49   51   54   57   61   66 
LCS_GDT     K    35_A     K    35_A      8   16   36      3    7   11   13   16   20   23   25   27   30   34   39   42   44   47   51   54   55   58   62 
LCS_GDT     I    36_A     I    36_A      8   16   36      3    7   11   13   16   20   23   25   27   31   36   39   42   45   49   51   54   55   58   62 
LCS_GDT     F    37_A     F    37_A      8   16   36      3    5   11   13   16   20   23   25   27   29   32   37   40   43   45   47   49   55   58   62 
LCS_GDT     H    38_A     H    38_A      8   16   36      3    7   11   13   16   20   23   25   27   29   31   35   40   43   45   47   48   55   58   62 
LCS_GDT     N    39_A     N    39_A      8   15   32      3    7   11   12   15   19   23   25   27   29   31   32   35   38   41   46   47   55   58   62 
LCS_GDT     N    40_A     N    40_A      4   13   32      3    4    6   12   15   17   21   23   27   29   31   32   32   36   41   46   47   55   58   62 
LCS_GDT     N    41_A     N    41_A      4   13   32      4    4    9   12   15   19   23   25   27   29   31   32   32   36   40   44   48   55   58   62 
LCS_GDT     Q    42_A     Q    42_A      4   13   32      4    5    8   12   15   19   23   25   27   29   31   32   32   36   40   44   53   55   58   62 
LCS_GDT     L    43_A     L    43_A      5    9   32      4    4    5    9   16   18   23   25   27   29   31   32   32   36   40   45   53   55   58   62 
LCS_GDT     A    44_A     A    44_A      5    9   32      4    5    9   12   16   19   23   25   27   29   31   32   38   41   45   48   53   56   60   65 
LCS_GDT     E    45_A     E    45_A      5    8   32      3    4    9   12   16   19   23   25   27   29   31   33   38   41   45   48   53   58   63   67 
LCS_GDT     S    46_A     S    46_A      5    8   32      3    4    9   12   15   19   23   25   27   29   33   40   41   43   47   50   54   58   63   67 
LCS_GDT     N    47_A     N    47_A      5    8   32      4    5    5    8   15   19   23   25   27   29   33   40   41   44   47   50   54   58   63   67 
LCS_GDT     D    48_A     D    48_A      5    8   32      4    5    7   13   16   20   23   26   30   36   39   45   48   49   49   51   54   58   63   67 
LCS_GDT     T    49_A     T    49_A      5   16   32      4    5    7   10   15   19   24   29   33   36   39   45   48   49   49   51   54   58   61   67 
LCS_GDT     D    50_A     D    50_A     13   16   32     11   12   13   13   17   19   23   25   28   32   37   45   48   49   49   51   54   58   63   67 
LCS_GDT     Y    51_A     Y    51_A     13   16   31     11   12   13   13   17   19   23   25   27   32   35   45   48   49   49   51   54   58   63   67 
LCS_GDT     F    52_A     F    52_A     13   16   25     11   12   13   14   17   21   26   31   33   36   39   45   48   49   49   51   54   58   63   67 
LCS_GDT     S    53_A     S    53_A     13   16   25     11   12   13   13   17   21   24   31   33   36   39   45   48   49   49   51   54   58   60   67 
LCS_GDT     C    54_A     C    54_A     13   16   25     11   12   13   13   17   19   23   25   27   32   38   45   48   49   49   51   54   58   63   67 
LCS_GDT     F    55_A     F    55_A     13   16   25     11   12   13   13   17   21   24   31   33   36   39   45   48   49   49   51   54   58   63   67 
LCS_GDT     A    56_A     A    56_A     13   16   25     11   12   13   13   17   21   26   31   33   36   39   45   48   49   49   51   54   58   63   67 
LCS_GDT     D    57_A     D    57_A     13   16   25     11   12   13   13   17   19   23   25   27   35   39   45   48   49   49   51   54   58   63   67 
LCS_GDT     L    58_A     L    58_A     13   16   25     11   12   13   13   17   19   23   25   29   32   39   45   48   49   49   51   54   58   63   67 
LCS_GDT     R    59_A     R    59_A     13   16   25     11   12   13   13   17   21   25   31   33   36   39   45   48   49   49   51   54   58   63   67 
LCS_GDT     N    60_A     N    60_A     13   16   25     11   12   13   13   17   19   23   25   27   32   39   45   48   49   49   51   54   58   63   67 
LCS_GDT     Q    61_A     Q    61_A     13   16   25      8   12   13   13   17   19   21   25   27   27   29   36   42   45   47   51   54   58   63   67 
LCS_GDT     L    62_A     L    62_A     13   16   25      3    3    9   13   15   16   17   25   27   27   34   38   48   49   49   51   54   58   63   67 
LCS_GDT     K    63_A     K    63_A      4   16   25      3    5   10   14   17   21   26   31   33   36   39   45   48   49   49   51   54   58   63   67 
LCS_GDT     N    64_A     N    64_A      5   16   25      3    5   11   14   17   21   26   31   33   36   39   45   48   49   49   51   54   58   62   67 
LCS_GDT     I    65_A     I    65_A      5   16   25      3    4    6   10   15   19   26   31   33   36   39   45   48   49   49   51   54   58   63   67 
LCS_GDT     I    66_A     I    66_A      5   10   25      3    4    5    7    9   13   15   18   20   24   31   34   39   45   47   50   53   58   63   67 
LCS_GDT     F    67_A     F    67_A      5   10   25      3    4    5    7    9   13   15   18   19   21   25   29   34   37   42   47   53   58   63   67 
LCS_GDT     L    68_A     L    68_A      5   10   25      3    4    5    7    9   12   14   15   17   19   23   26   32   36   41   46   53   55   59   65 
LCS_GDT     C    69_A     C    69_A      5   10   25      4    4    5    7    9   13   14   16   18   19   23   26   32   37   42   46   53   57   63   67 
LCS_GDT     K    70_A     K    70_A      5    9   28      4    4    5    7    9   11   14   15   16   19   23   27   32   37   42   49   53   58   63   67 
LCS_GDT     G    71_A     G    71_A      5    6   28      4    4    5    6    6    9   11   13   17   20   22   27   30   35   44   49   53   58   63   67 
LCS_GDT     A    72_A     A    72_A      5    6   28      4    4    5    6    7    8   11   15   19   23   27   28   32   35   38   44   53   56   61   65 
LCS_GDT     K    73_A     K    73_A      5    6   28      3    3    5    6    7   13   15   20   23   30   31   32   33   40   44   49   53   58   63   67 
LCS_GDT     I    74_A     I    74_A      3    6   28      3    3    4    5    9   14   18   26   27   30   31   32   33   36   42   49   53   58   61   67 
LCS_GDT     N    75_A     N    75_A      5    6   28      3    4    5    8    9   11   15   18   24   30   31   32   37   41   44   49   53   58   63   67 
LCS_GDT     V    76_A     V    76_A      5    6   28      3    4    6    9   11   18   22   26   27   30   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     Y    77_A     Y    77_A      5    8   28      3    4    6    9   11   15   18   20   26   29   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     P    78_A     P    78_A      5    8   28      3    4    5    6    8   12   16   20   26   29   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     S    79_A     S    79_A      5    8   28      3    4    5    9   11   15   18   20   26   29   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     A    80_A     A    80_A      5    8   28      3    5    6    7    9   13   18   20   26   29   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     M    81_A     M    81_A      5    8   28      3    5    6    8   10   15   18   20   26   29   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     S    82_A     S    82_A      5    8   28      3    5    6    8   10   12   18   20   26   29   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     R    83_A     R    83_A      5    8   28      3    5    6    8    9   11   13   16   19   25   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     D    84_A     D    84_A      5    8   28      3    5    6    8    9   11   13   16   22   26   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     M    85_A     M    85_A      4    5   28      3    4    4    7   11   15   18   20   26   29   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     S    86_A     S    86_A      4    5   28      3    4    8   11   15   17   21   21   26   29   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     D    87_A     D    87_A      4    6   28      3    5    8   12   15   17   21   21   26   29   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     G    88_A     G    88_A      4    6   28      3    4    9   12   13   14   19   21   25   27   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     I    89_A     I    89_A      3    9   28      3    5    9   12   13   15   19   21   26   29   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     V    90_A     V    90_A      6    9   28      3    4    6    8   10   11   15   20   26   29   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     A    91_A     A    91_A      6    9   28      4    5    6    8   11   15   18   20   26   29   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     Y    92_A     Y    92_A      6    9   28      4    5    6    9   11   15   18   20   26   29   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     E    93_A     E    93_A      6    9   28      3    5    6    8   16   19   22   26   27   30   33   40   41   45   47   50   52   58   63   67 
LCS_GDT     T    94_A     T    94_A      6    9   28      3    5    6    9   11   15   18   21   26   29   33   40   41   45   47   50   52   58   63   67 
LCS_GDT     T    95_A     T    95_A      6    9   28      4    5    6    9   11   15   18   20   26   29   33   40   41   45   47   50   52   56   63   67 
LCS_GDT     L    96_A     L    96_A      6    9   28      4    5    6    9   11   15   18   20   26   29   33   40   41   45   47   50   52   56   63   67 
LCS_GDT     G    97_A     G    97_A      6    9   28      3    4    6    7    8   11   12   19   24   29   33   40   41   43   45   49   51   55   59   64 
LCS_GDT     Q    98_A     Q    98_A      6    7   28      3    4    6    7    8   11   12   16   18   24   30   37   40   42   44   45   48   52   57   63 
LCS_GDT     P    99_A     P    99_A      7    8   25      3    7    7    9   11   12   14   15   17   21   27   28   33   36   39   42   46   50   55   59 
LCS_GDT     G   100_A     G   100_A      7    8   25      4    7    7    9   11   12   14   16   19   23   27   28   33   36   39   42   48   50   55   59 
LCS_GDT     L   101_A     L   101_A      7    8   21      3    7    7    9   11   12   14   16   19   23   27   32   40   42   44   45   48   50   55   59 
LCS_GDT     P   102_A     P   102_A      7    8   21      4    7    7    9   11   12   14   15   17   18   29   37   40   42   44   45   48   50   55   61 
LCS_GDT     E   103_A     E   103_A      7    8   21      4    7    7    9   11   12   14   15   17   24   30   37   40   43   45   49   51   56   59   63 
LCS_GDT     N   104_A     N   104_A      7    8   31      4    7    7    9   11   12   14   16   19   24   30   37   40   42   45   49   51   56   59   63 
LCS_GDT     Q   105_A     Q   105_A      7    8   31      4    7    7    9   11   12   14   16   19   23   30   37   40   42   44   49   51   56   59   63 
LCS_GDT     V   106_A     V   106_A      3    8   31      3    3    5    6    9   10   14   15   21   29   33   40   41   45   47   50   52   56   60   67 
LCS_GDT     H   107_A     H   107_A      4    7   31      3    4    4    5    6    8   11   16   19   23   28   33   38   45   46   50   51   56   59   63 
LCS_GDT     I   108_A     I   108_A      4    7   31      3    5   13   16   18   20   22   26   27   30   31   33   38   42   46   50   51   55   59   62 
LCS_GDT     F   109_A     F   109_A      4    7   31      3    4    4    6    7   14   19   26   27   30   31   37   41   45   47   50   52   56   63   67 
LCS_GDT     D   110_A     D   110_A      4    7   31      3    4    4    8   16   18   18   21   27   30   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     F   111_A     F   111_A      3    7   31      2    5    5    7   10   14   22   26   27   30   33   40   41   44   47   50   53   58   63   67 
LCS_GDT     E   112_A     E   112_A      4    7   31      3    4    4    6   16   20   22   26   27   30   31   32   35   41   44   49   53   58   63   67 
LCS_GDT     D   113_A     D   113_A      4    7   31      3    4    5    6    7    8   14   26   27   30   31   32   33   36   41   45   53   56   61   65 
LCS_GDT     K   114_A     K   114_A      4    6   31      3    4    5    6    9   14   16   22   27   30   31   32   33   35   39   45   53   55   61   64 
LCS_GDT     Y   115_A     Y   115_A      4    6   31      3    4    4    5    7    8    9   12   17   19   23   27   30   35   39   45   53   55   61   64 
LCS_GDT     V   116_A     V   116_A      4   19   31      3    4    4    7   16   20   22   26   27   30   31   32   33   36   39   44   53   55   55   59 
LCS_GDT     D   117_A     D   117_A     18   19   31      3   12   18   18   18   18   22   26   27   30   31   32   33   35   38   44   45   48   54   59 
LCS_GDT     I   118_A     I   118_A     18   19   31     10   16   18   18   18   20   22   26   27   30   31   32   33   36   41   44   47   53   57   62 
LCS_GDT     T   119_A     T   119_A     18   19   31      9   16   18   18   18   20   22   26   27   30   31   32   33   36   41   44   47   53   57   61 
LCS_GDT     P   120_A     P   120_A     18   19   31     10   16   18   18   18   20   22   26   27   30   31   32   33   36   41   46   47   53   58   61 
LCS_GDT     E   121_A     E   121_A     18   19   31     10   16   18   18   18   20   22   26   27   30   31   32   33   36   41   46   47   55   58   62 
LCS_GDT     E   122_A     E   122_A     18   19   31     10   16   18   18   18   20   22   26   27   30   31   32   33   36   41   46   47   55   58   62 
LCS_GDT     Q   123_A     Q   123_A     18   19   31     10   16   18   18   18   20   22   26   27   30   31   32   33   36   41   46   53   56   61   64 
LCS_GDT     R   124_A     R   124_A     18   19   31     10   16   18   18   18   20   22   26   27   30   31   32   33   36   41   46   53   55   58   62 
LCS_GDT     K   125_A     K   125_A     18   19   31     10   16   18   18   18   20   22   26   27   30   31   32   33   36   40   44   53   55   60   63 
LCS_GDT     F   126_A     F   126_A     18   19   31     10   16   18   18   18   20   22   26   27   30   31   32   33   36   44   49   53   58   62   67 
LCS_GDT     H   127_A     H   127_A     18   19   31     10   16   18   18   18   20   22   26   27   30   31   35   38   41   45   50   53   58   63   67 
LCS_GDT     S   128_A     S   128_A     18   19   31      9   16   18   18   18   20   22   26   27   30   31   32   38   41   45   49   53   58   63   67 
LCS_GDT     Q   129_A     Q   129_A     18   19   31      9   16   18   18   18   20   22   26   27   30   31   32   36   40   44   49   53   58   63   67 
LCS_GDT     W   130_A     W   130_A     18   19   31     10   16   18   18   18   20   22   26   27   30   31   37   39   45   47   50   53   58   63   67 
LCS_GDT     F   131_A     F   131_A     18   19   31      9   16   18   18   18   20   22   26   27   30   33   40   41   45   47   50   53   58   63   67 
LCS_GDT     E   132_A     E   132_A     18   19   31      9   16   18   18   18   20   22   26   27   30   31   37   39   44   47   50   53   58   63   67 
LCS_GDT     S   133_A     S   133_A     18   19   31      9   16   18   18   18   20   22   26   27   30   31   35   38   45   47   50   52   58   63   67 
LCS_GDT     L   134_A     L   134_A     18   19   31      3    5   18   18   18   20   22   26   27   30   33   36   39   45   47   50   52   55   63   67 
LCS_AVERAGE  LCS_A:  12.79  (   5.85    9.29   23.23 )

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     11     16     18     18     18     21     26     31     33     36     39     45     48     49     49     51     54     58     63     67 
GDT PERCENT_AT   8.33  12.12  13.64  13.64  13.64  15.91  19.70  23.48  25.00  27.27  29.55  34.09  36.36  37.12  37.12  38.64  40.91  43.94  47.73  50.76
GDT RMS_LOCAL    0.26   0.51   0.70   0.70   0.70   1.94   2.28   2.61   2.78   3.16   3.45   4.09   4.22   6.22   4.28   4.49   4.95   6.31   6.59   6.78
GDT RMS_ALL_AT  22.80  28.66  29.12  29.12  29.12  23.38  23.39  23.51  23.43  23.37  23.86  23.39  23.51  23.51  23.55  23.75  24.01  15.73  15.32  15.40

# Checking swapping
#   possible swapping detected:  D     5_A      D     5_A
#   possible swapping detected:  E    21_A      E    21_A
#   possible swapping detected:  F    37_A      F    37_A
#   possible swapping detected:  D    48_A      D    48_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  Y    51_A      Y    51_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  F    67_A      F    67_A
#   possible swapping detected:  Y    77_A      Y    77_A
#   possible swapping detected:  D    84_A      D    84_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  Y   115_A      Y   115_A
#   possible swapping detected:  F   131_A      F   131_A
#   possible swapping detected:  E   132_A      E   132_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     3_A      D     3_A     3.403     3    0.145   0.187     4.595   53.810   30.833
LGA    V     4_A      V     4_A     1.076     0    0.251   0.929     2.404   77.143   75.374
LGA    D     5_A      D     5_A     2.275     0    0.086   0.945     7.323   54.524   41.310
LGA    K     6_A      K     6_A     5.682     0    0.673   0.529     8.291   19.167   17.831
LGA    R     7_A      R     7_A     6.857     0    0.274   1.404    12.619   11.310    6.364
LGA    K     8_A      K     8_A     8.405     0    0.203   0.930     9.997    4.405    3.810
LGA    I     9_A      I     9_A     9.309     0    0.125   1.247    10.971    1.429    4.821
LGA    K    10_A      K    10_A     9.084     0    0.116   0.785    14.104    3.690    1.693
LGA    I    11_A      I    11_A     7.673     0    0.220   1.389     8.687    5.476   10.298
LGA    I    12_A      I    12_A     7.069     0    0.139   0.702    12.878   19.405   10.893
LGA    L    13_A      L    13_A     3.123     0    0.272   1.026     5.213   50.357   45.536
LGA    N    14_A      N    14_A     2.511     0    0.435   0.435     5.027   45.952   48.274
LGA    G    15_A      G    15_A     5.487     0    0.683   0.683     5.487   37.500   37.500
LGA    E    16_A      E    16_A     2.504     0    0.255   0.894     3.779   48.452   57.672
LGA    M    17_A      M    17_A     3.864     0    0.122   1.042    11.681   55.833   31.786
LGA    E    18_A      E    18_A     1.299     0    0.388   1.146     9.356   81.429   46.402
LGA    E    19_A      E    19_A     0.919     0    0.062   1.146     5.614   79.405   61.323
LGA    A    20_A      A    20_A     2.002     0    0.141   0.205     2.536   64.881   64.857
LGA    E    21_A      E    21_A     2.399     0    0.061   0.757     6.306   66.786   48.889
LGA    L    22_A      L    22_A     0.409     0    0.215   1.267     5.989   78.333   60.000
LGA    H    23_A      H    23_A     3.630     0    0.545   0.629     9.625   47.381   23.714
LGA    M    24_A      M    24_A     1.098     0    0.127   0.382     8.116   75.833   48.095
LGA    I    25_A      I    25_A     1.074     0    0.230   1.170     5.048   71.905   53.333
LGA    T    26_A      T    26_A     3.224     0    0.252   0.988     7.549   63.214   41.633
LGA    S    27_A      S    27_A     1.073     0    0.373   0.456     5.149   67.262   56.429
LGA    P    28_A      P    28_A     3.370     0    0.072   0.732     5.721   59.167   46.667
LGA    N    29_A      N    29_A     2.584     0    0.606   1.175     6.328   61.071   52.440
LGA    R    30_A      R    30_A     2.054     0    0.370   1.365    11.256   73.452   36.970
LGA    H    31_A      H    31_A     2.370     0    0.105   0.841    10.923   63.571   30.667
LGA    C    32_A      C    32_A     1.265     0    0.162   0.164     3.953   67.500   64.365
LGA    C    33_A      C    33_A     6.076     0    0.339   0.780    10.618   25.476   17.460
LGA    L    34_A      L    34_A     3.778     0    0.039   1.349     5.533   32.024   39.107
LGA    K    35_A      K    35_A     8.162     0    0.215   0.824    17.598    9.048    4.021
LGA    I    36_A      I    36_A     7.390     0    0.120   0.231     8.966    6.905   16.190
LGA    F    37_A      F    37_A    10.004     0    0.104   1.243    17.768    0.357    0.130
LGA    H    38_A      H    38_A    10.896     0    0.453   1.239    15.516    0.000    3.476
LGA    N    39_A      N    39_A    15.706     0    0.498   1.358    18.912    0.000    0.000
LGA    N    40_A      N    40_A    19.219     0    0.361   1.151    22.578    0.000    0.000
LGA    N    41_A      N    41_A    20.298     0    0.449   0.653    22.709    0.000    0.000
LGA    Q    42_A      Q    42_A    18.438     0    0.101   1.398    22.903    0.000    0.000
LGA    L    43_A      L    43_A    15.350     0    0.597   1.199    17.610    0.000    0.000
LGA    A    44_A      A    44_A    16.109     0    0.703   0.662    16.371    0.000    0.000
LGA    E    45_A      E    45_A    14.465     0    0.065   0.668    17.155    0.000    0.000
LGA    S    46_A      S    46_A    11.292     0    0.540   0.767    12.588    0.000    0.000
LGA    N    47_A      N    47_A    12.251     0    0.524   0.491    16.420    0.000    0.000
LGA    D    48_A      D    48_A     6.378     0    0.107   0.448     8.468   15.357   19.821
LGA    T    49_A      T    49_A     4.310     0    0.117   0.128     7.027   29.167   41.361
LGA    D    50_A      D    50_A     5.635     0    0.140   0.998     6.288   33.690   29.583
LGA    Y    51_A      Y    51_A     6.120     0    0.262   0.837     7.941   23.333   15.833
LGA    F    52_A      F    52_A     2.738     0    0.037   0.110     3.890   57.500   69.697
LGA    S    53_A      S    53_A     3.669     0    0.062   0.662     4.918   39.048   39.444
LGA    C    54_A      C    54_A     6.071     0    0.053   0.091     8.664   22.738   17.302
LGA    F    55_A      F    55_A     3.649     0    0.037   0.609     4.175   45.119   50.173
LGA    A    56_A      A    56_A     3.031     0    0.048   0.047     4.734   43.929   45.143
LGA    D    57_A      D    57_A     6.454     0    0.026   0.961     9.990   16.667   10.060
LGA    L    58_A      L    58_A     6.278     0    0.000   1.319     9.753   19.405   14.821
LGA    R    59_A      R    59_A     3.677     0    0.042   1.001     5.110   34.524   44.935
LGA    N    60_A      N    60_A     7.172     0    0.066   0.929    10.207    9.762    6.310
LGA    Q    61_A      Q    61_A     9.445     0    0.444   0.974    14.071    2.381    1.058
LGA    L    62_A      L    62_A     7.551     0    0.454   1.387    12.450   16.786    8.810
LGA    K    63_A      K    63_A     1.497     0    0.570   0.914    11.193   67.500   40.317
LGA    N    64_A      N    64_A     1.327     0    0.394   1.337     4.685   71.071   59.464
LGA    I    65_A      I    65_A     3.307     0    0.215   0.973     6.058   46.429   43.869
LGA    I    66_A      I    66_A     8.804     0    0.203   0.285    13.568    4.762    2.381
LGA    F    67_A      F    67_A    10.033     0    0.234   1.222    13.881    0.119    8.442
LGA    L    68_A      L    68_A    16.958     0    0.451   1.078    21.062    0.000    0.000
LGA    C    69_A      C    69_A    18.362     0    0.089   0.762    20.203    0.000    0.000
LGA    K    70_A      K    70_A    20.609     0    0.092   0.982    26.554    0.000    0.000
LGA    G    71_A      G    71_A    20.240     0    0.073   0.073    21.305    0.000    0.000
LGA    A    72_A      A    72_A    21.419     0    0.690   0.638    21.879    0.000    0.000
LGA    K    73_A      K    73_A    24.518     0    0.522   1.167    32.882    0.000    0.000
LGA    I    74_A      I    74_A    26.785     0    0.101   0.937    30.496    0.000    0.000
LGA    N    75_A      N    75_A    28.202     0    0.357   1.269    34.050    0.000    0.000
LGA    V    76_A      V    76_A    23.510     0    0.649   0.582    25.052    0.000    0.000
LGA    Y    77_A      Y    77_A    21.790     0    0.304   1.311    24.946    0.000    0.000
LGA    P    78_A      P    78_A    21.780     0    0.378   0.722    23.119    0.000    0.000
LGA    S    79_A      S    79_A    25.973     0    0.114   0.141    28.541    0.000    0.000
LGA    A    80_A      A    80_A    25.599     0    0.052   0.053    26.539    0.000    0.000
LGA    M    81_A      M    81_A    29.246     0    0.065   0.857    33.918    0.000    0.000
LGA    S    82_A      S    82_A    29.748     0    0.099   0.165    30.441    0.000    0.000
LGA    R    83_A      R    83_A    25.517     0    0.546   1.292    29.291    0.000    0.000
LGA    D    84_A      D    84_A    24.404     0    0.545   1.081    29.044    0.000    0.000
LGA    M    85_A      M    85_A    22.115     0    0.505   0.794    26.223    0.000    0.000
LGA    S    86_A      S    86_A    19.980     0    0.070   0.092    22.694    0.000    0.000
LGA    D    87_A      D    87_A    13.316     0    0.328   1.331    15.627    0.000    0.000
LGA    G    88_A      G    88_A    17.252     0    0.214   0.214    17.340    0.000    0.000
LGA    I    89_A      I    89_A    18.035     0    0.617   1.705    20.229    0.000    0.000
LGA    V    90_A      V    90_A    21.349     0    0.199   1.097    23.638    0.000    0.000
LGA    A    91_A      A    91_A    25.250     0    0.561   0.584    28.965    0.000    0.000
LGA    Y    92_A      Y    92_A    29.053     0    0.158   1.242    38.134    0.000    0.000
LGA    E    93_A      E    93_A    28.189     0    0.054   1.080    31.916    0.000    0.000
LGA    T    94_A      T    94_A    33.509     0    0.580   1.356    35.214    0.000    0.000
LGA    T    95_A      T    95_A    35.380     0    0.076   1.171    39.521    0.000    0.000
LGA    L    96_A      L    96_A    39.762     0    0.078   0.141    43.256    0.000    0.000
LGA    G    97_A      G    97_A    44.762     0    0.066   0.066    46.594    0.000    0.000
LGA    Q    98_A      Q    98_A    43.081     0    0.062   0.800    43.628    0.000    0.000
LGA    P    99_A      P    99_A    45.100     0    0.434   0.830    47.994    0.000    0.000
LGA    G   100_A      G   100_A    40.644     0    0.616   0.616    42.373    0.000    0.000
LGA    L   101_A      L   101_A    44.685     0    0.111   0.130    50.076    0.000    0.000
LGA    P   102_A      P   102_A    43.904     0    0.062   0.083    47.401    0.000    0.000
LGA    E   103_A      E   103_A    45.099     0    0.134   1.293    51.082    0.000    0.000
LGA    N   104_A      N   104_A    39.788     0    0.207   1.434    41.972    0.000    0.000
LGA    Q   105_A      Q   105_A    34.935     0    0.606   1.037    37.274    0.000    0.000
LGA    V   106_A      V   106_A    33.470     0    0.618   1.454    35.785    0.000    0.000
LGA    H   107_A      H   107_A    32.356     0    0.652   0.911    35.347    0.000    0.000
LGA    I   108_A      I   108_A    26.826     0    0.136   1.144    28.408    0.000    0.000
LGA    F   109_A      F   109_A    23.634     0    0.435   1.207    24.975    0.000    0.000
LGA    D   110_A      D   110_A    28.363     0    0.652   0.572    34.935    0.000    0.000
LGA    F   111_A      F   111_A    25.830     0    0.481   1.345    27.449    0.000    0.000
LGA    E   112_A      E   112_A    27.992     0    0.066   1.299    29.103    0.000    0.000
LGA    D   113_A      D   113_A    32.081     0    0.341   1.141    34.510    0.000    0.000
LGA    K   114_A      K   114_A    34.519     0    0.125   0.889    38.579    0.000    0.000
LGA    Y   115_A      Y   115_A    32.738     0    0.092   0.590    38.346    0.000    0.000
LGA    V   116_A      V   116_A    29.909     0    0.665   0.960    31.484    0.000    0.000
LGA    D   117_A      D   117_A    27.955     0    0.376   1.547    30.350    0.000    0.000
LGA    I   118_A      I   118_A    28.029     0    0.075   0.403    29.706    0.000    0.000
LGA    T   119_A      T   119_A    27.665     0    0.067   0.072    30.418    0.000    0.000
LGA    P   120_A      P   120_A    28.430     0    0.000   0.076    30.808    0.000    0.000
LGA    E   121_A      E   121_A    32.611     0    0.032   0.993    37.544    0.000    0.000
LGA    E   122_A      E   122_A    32.520     0    0.052   1.238    33.080    0.000    0.000
LGA    Q   123_A      Q   123_A    30.323     0    0.045   0.408    32.248    0.000    0.000
LGA    R   124_A      R   124_A    34.336     0    0.064   0.951    37.063    0.000    0.000
LGA    K   125_A      K   125_A    37.532     0    0.067   1.262    44.986    0.000    0.000
LGA    F   126_A      F   126_A    35.216     0    0.030   1.444    36.748    0.000    0.000
LGA    H   127_A      H   127_A    35.669     0    0.046   0.051    38.811    0.000    0.000
LGA    S   128_A      S   128_A    41.351     0    0.090   0.693    43.700    0.000    0.000
LGA    Q   129_A      Q   129_A    42.578     0    0.034   0.780    43.696    0.000    0.000
LGA    W   130_A      W   130_A    39.160     0    0.056   0.160    41.118    0.000    0.000
LGA    F   131_A      F   131_A    42.609     0    0.054   1.433    47.740    0.000    0.000
LGA    E   132_A      E   132_A    47.524     0    0.106   0.968    51.347    0.000    0.000
LGA    S   133_A      S   133_A    45.442     0    0.168   0.756    46.324    0.000    0.000
LGA    L   134_A      L   134_A    45.403     0    0.205   1.384    48.126    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1073   1073  100.00               132
SUMMARY(RMSD_GDC):    12.901         12.787                 13.684           16.536   13.704

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0     31    2.61    21.970    18.968     1.146

LGA_LOCAL      RMSD:   2.605  Number of atoms:   31  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.513  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:  12.901  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.788295 * X  +   0.105649 * Y  +   0.606159 * Z  + -213.799545
  Y_new =  -0.452215 * X  +  -0.568568 * Y  +   0.687192 * Z  + -22.404058
  Z_new =   0.417244 * X  +  -0.815824 * Y  +  -0.400423 * Z  + -51.399178 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.520828 -0.430410 -2.027074   [DEG:  -29.8412  -24.6607 -116.1428 ]
ZXZ:  2.418766  1.982775  2.668836   [DEG:  138.5851  113.6046  152.9130 ]
 
# END of job
