
#######################################################
#                                                     #
#                        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  132 ( 1136),  selected  124 , name one
# Molecule2: number of CA atoms  124 ( 1059),  selected  124 , 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:    70       2_D - 71_D        4.68    24.65
  LCS_AVERAGE:     44.89

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    57       2_D - 58_D        1.97    25.43
  LCS_AVERAGE:     30.14

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      30_D - 58_D        1.00    25.07
  LCS_AVERAGE:     15.69

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
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     2_D     D     2_D     24   57   70      4   35   49   49   50   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     K     3_D     K     3_D     24   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     E     4_D     E     4_D     24   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     I     5_D     I     5_D     24   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     A     6_D     A     6_D     24   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     K     7_D     K     7_D     24   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     E     8_D     E     8_D     24   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     I     9_D     I     9_D     24   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     F    10_D     F    10_D     24   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     N    11_D     N    11_D     24   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     M    12_D     M    12_D     24   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     M    13_D     M    13_D     24   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     F    14_D     F    14_D     24   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     M    15_D     M    15_D     24   57   70     35   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     L    16_D     L    16_D     24   57   70     32   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     L    17_D     L    17_D     24   57   70     35   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     W    18_D     W    18_D     24   57   70     35   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     R    19_D     R    19_D     24   57   70     30   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     V    20_D     V    20_D     24   57   70     28   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     F    21_D     F    21_D     24   57   70     35   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     R    22_D     R    22_D     24   57   70     21   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     S    23_D     S    23_D     24   57   70      3   21   49   49   50   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     Q    24_D     Q    24_D     24   57   70     21   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     R    25_D     R    25_D     24   57   70      3    4    4   42   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     I    26_D     I    26_D      3   57   70      3    4    4    5   15   20   28   54   56   57   57   61   63   64   65   65   67   68   69   69 
LCS_GDT     D    27_D     D    27_D      5   57   70      3    4    5   10   20   29   49   54   56   57   61   62   64   66   66   67   67   68   69   69 
LCS_GDT     A    28_D     A    28_D      5   57   70      3    4    5    6    8   12   16   23   45   57   57   62   64   64   65   67   67   68   69   69 
LCS_GDT     N    29_D     N    29_D      5   57   70      3    4    5    6   25   39   53   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     N    30_D     N    30_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     V    31_D     V    31_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     E    32_D     E    32_D     29   57   70     27   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     L    33_D     L    33_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     I    34_D     I    34_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     K    35_D     K    35_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     F    36_D     F    36_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     N    37_D     N    37_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     I    38_D     I    38_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     R    39_D     R    39_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     V    40_D     V    40_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     L    41_D     L    41_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     D    42_D     D    42_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     W    43_D     W    43_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     I    44_D     I    44_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     M    45_D     M    45_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     A    46_D     A    46_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     E    47_D     E    47_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     A    48_D     A    48_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     D    49_D     D    49_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     N    50_D     N    50_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     D    51_D     D    51_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     L    52_D     L    52_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     C    53_D     C    53_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     Y    54_D     Y    54_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     F    55_D     F    55_D     29   57   70     36   47   49   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     I    56_D     I    56_D     29   57   70      8   18   40   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     G    57_D     G    57_D     29   57   70      5    8   16   44   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     T    58_D     T    58_D     29   57   70      3   14   30   49   51   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     H    59_D     H    59_D      6   36   70      3    5    6    8   13   25   32   36   38   54   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     D    60_D     D    60_D      6   36   70      3    8   14   27   32   45   55   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     K    61_D     K    61_D      6   36   70      3    5    6   15   34   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     C    62_D     C    62_D      6   36   70      3    5    8   27   43   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     E    63_D     E    63_D      6   36   70      3    7    8   17   28   44   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     N    64_D     N    64_D      6   36   70      3    4    6   11   19   36   53   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     P    65_D     P    65_D      4   36   70      3    5   15   27   44   53   56   58   60   60   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     K    66_D     K    66_D      4   22   70      3    7    8   13   20   27   37   42   58   59   62   63   64   66   66   67   67   68   69   69 
LCS_GDT     E    67_D     E    67_D      3    5   70      3    3    4    8   22   31   35   37   38   46   55   63   64   66   66   67   67   68   69   69 
LCS_GDT     Q    68_D     Q    68_D      3    5   70      3    3    3   10   21   30   35   37   38   43   47   56   62   66   66   67   67   68   69   69 
LCS_GDT     W    69_D     W    69_D      3    5   70      3    3    6   10   19   30   35   37   38   43   47   53   62   66   66   67   67   68   69   69 
LCS_GDT     V    70_D     V    70_D      3    5   70      3    3    4    5   11   19   27   36   38   39   41   42   43   47   51   59   61   67   69   69 
LCS_GDT     A    71_D     A    71_D      3    5   70      3    3    4    5   11   19   24   32   38   39   41   42   43   45   48   51   55   61   65   68 
LCS_GDT     N    72_D     N    72_D      3    5   51      3    3    5    8   11   13   17   27   33   38   41   42   43   45   48   50   55   60   62   64 
LCS_GDT     Y    73_D     Y    73_D      4    5   51      3    3    4    8   11   17   22   30   35   39   41   42   43   45   48   50   55   56   61   64 
LCS_GDT     Q    74_D     Q    74_D      4    5   50      3    3    4    5    8   13   18   24   29   36   40   42   43   45   45   46   48   51   54   57 
LCS_GDT     N    75_D     N    75_D      4    6   50      3    3    5    7    8   10   16   19   24   31   37   41   43   45   45   46   48   50   52   53 
LCS_GDT     L    76_D     L    76_D      4    6   50      4    4    5    7    8   11   16   21   27   33   38   41   43   45   45   46   48   50   52   55 
LCS_GDT     N    77_D     N    77_D      4    6   50      4    4    5    7    8   11   16   19   24   31   36   41   43   45   45   46   48   49   52   54 
LCS_GDT     N    78_D     N    78_D      4    6   19      4    4    4    4    7    8   13   17   18   22   28   30   35   42   45   46   47   49   52   54 
LCS_GDT     V    79_D     V    79_D      4    6   19      4    4    4    4    5    8   11   13   16   21   26   30   34   42   45   46   47   49   52   54 
LCS_GDT     V    80_D     V    80_D      4    6   19      3    4    4    4    5    8   11   13   16   21   26   30   35   41   45   46   47   49   52   54 
LCS_GDT     F    81_D     F    81_D      4    5   34      3    4    4    4    4   10   10   12   22   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     T    82_D     T    82_D      4    5   34      3    4    5    8   10   17   22   25   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     N    83_D     N    83_D      4    5   34      3    4    5    8   10   11   19   25   31   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     K    84_D     K    84_D      4    5   34      3    4    6    8   13   17   22   26   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     E    85_D     E    85_D      3    4   34      3    4    6    6    8    9   12   15   19   24   30   34   37   38   39   42   45   48   51   54 
LCS_GDT     L    86_D     L    86_D      4    6   34      3    4    4    5    7   10   12   15   19   23   27   30   33   37   39   42   45   48   51   54 
LCS_GDT     E    87_D     E    87_D      4    6   34      3    4    4    6    7   10   12   15   18   21   24   29   31   32   36   40   43   46   48   53 
LCS_GDT     D    88_D     D    88_D      4    6   37      3    3    4    6    7   10   12   15   18   21   24   29   31   33   37   42   45   48   51   53 
LCS_GDT     I    89_D     I    89_D      4    6   37      3    3    4    5    7   10   12   15   19   23   27   33   37   38   39   42   45   48   51   54 
LCS_GDT     Y    90_D     Y    90_D      3    6   37      3    3    3    4    7    8   12   15   18   21   24   28   31   33   37   42   45   48   51   53 
LCS_GDT     D    91_D     D    91_D      4    6   37      4    4    4    4    5    8   13   15   18   21   22   27   29   33   37   42   45   48   51   53 
LCS_GDT     L    92_D     L    92_D      4    4   37      4    4    4    4    5    6    7   10   18   21   22   29   31   35   38   42   45   48   51   54 
LCS_GDT     S    93_D     S    93_D      4    4   37      4    4    4    4    5    6   11   11   18   21   22   27   28   35   39   42   45   48   51   54 
LCS_GDT     N    94_D     N    94_D      4    6   37      4    4    4    4    6    9   13   16   25   32   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     K    95_D     K    95_D      9   31   37      5    6   11   19   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     E    96_D     E    96_D      9   31   37      5    6   11   19   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     E    97_D     E    97_D     28   31   37      5    5   11   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     T    98_D     T    98_D     28   31   37      5   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     K    99_D     K    99_D     28   31   37     19   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     E   100_D     E   100_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     V   101_D     V   101_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     L   102_D     L   102_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     K   103_D     K   103_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     K   104_D     K   104_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     F   105_D     F   105_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     K   106_D     K   106_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     E   107_D     E   107_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     K   108_D     K   108_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     V   109_D     V   109_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     N   110_D     N   110_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     Q   111_D     Q   111_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   53 
LCS_GDT     F   112_D     F   112_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   53 
LCS_GDT     Y   113_D     Y   113_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   54 
LCS_GDT     R   114_D     R   114_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   53 
LCS_GDT     H   115_D     H   115_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   53 
LCS_GDT     A   116_D     A   116_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   53 
LCS_GDT     F   117_D     F   117_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   53 
LCS_GDT     D   118_D     D   118_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   53 
LCS_GDT     I   119_D     I   119_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   53 
LCS_GDT     I   120_D     I   120_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   53 
LCS_GDT     N   121_D     N   121_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   53 
LCS_GDT     K   122_D     K   122_D     28   31   37     23   26   26   26   28   30   30   31   32   34   35   35   37   38   39   42   45   48   51   53 
LCS_GDT     Y   123_D     Y   123_D     28   31   37     15   26   26   26   28   30   30   31   32   34   35   35   37   38   39   41   45   48   50   53 
LCS_GDT     G   124_D     G   124_D     28   31   37      3    3    3    3   28   30   30   31   32   34   35   35   37   38   39   41   45   48   51   53 
LCS_GDT     L   125_D     L   125_D     28   31   37      3    3    3    3   27   27   30   31   31   31   34   35   36   36   39   40   44   46   48   53 
LCS_AVERAGE  LCS_A:  30.24  (  15.69   30.14   44.89 )

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     36     47     49     49     51     53     56     58     60     60     62     63     64     66     66     67     67     68     69     69 
GDT PERCENT_AT  29.03  37.90  39.52  39.52  41.13  42.74  45.16  46.77  48.39  48.39  50.00  50.81  51.61  53.23  53.23  54.03  54.03  54.84  55.65  55.65
GDT RMS_LOCAL    0.31   0.46   0.58   0.58   1.06   1.12   1.61   1.82   2.02   2.02   2.30   2.64   2.58   3.42   3.42   3.52   3.52   3.63   4.10   4.10
GDT RMS_ALL_AT  25.51  25.47  25.49  25.49  25.40  25.42  25.36  25.31  25.21  25.21  25.14  25.06  25.22  24.92  24.92  24.91  24.91  25.01  24.86  24.86

# Checking swapping
#   possible swapping detected:  E     4_D      E     4_D
#   possible swapping detected:  E     8_D      E     8_D
#   possible swapping detected:  F    10_D      F    10_D
#   possible swapping detected:  F    14_D      F    14_D
#   possible swapping detected:  F    21_D      F    21_D
#   possible swapping detected:  D    27_D      D    27_D
#   possible swapping detected:  E    32_D      E    32_D
#   possible swapping detected:  D    42_D      D    42_D
#   possible swapping detected:  D    49_D      D    49_D
#   possible swapping detected:  D    51_D      D    51_D
#   possible swapping detected:  F    55_D      F    55_D
#   possible swapping detected:  D    60_D      D    60_D
#   possible swapping detected:  E    63_D      E    63_D
#   possible swapping detected:  E    67_D      E    67_D
#   possible swapping detected:  F    81_D      F    81_D
#   possible swapping detected:  D    88_D      D    88_D
#   possible swapping detected:  Y    90_D      Y    90_D
#   possible swapping detected:  E    96_D      E    96_D
#   possible swapping detected:  E    97_D      E    97_D
#   possible swapping detected:  F   105_D      F   105_D
#   possible swapping detected:  F   117_D      F   117_D
#   possible swapping detected:  D   118_D      D   118_D
#   possible swapping detected:  Y   123_D      Y   123_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D     2.401     0    0.006   0.542     3.127   64.762   62.917
LGA    K     3_D      K     3_D     1.401     0    0.005   0.464     2.173   81.429   74.868
LGA    E     4_D      E     4_D     1.131     0    0.040   0.185     1.827   81.429   78.571
LGA    I     5_D      I     5_D     0.893     0    0.010   0.099     0.955   90.476   90.476
LGA    A     6_D      A     6_D     1.026     0    0.004   0.012     1.261   88.214   86.857
LGA    K     7_D      K     7_D     1.034     0    0.008   0.689     4.580   88.214   66.931
LGA    E     8_D      E     8_D     0.492     0    0.051   0.208     1.335   97.619   93.757
LGA    I     9_D      I     9_D     0.386     0    0.003   0.077     0.815   97.619   94.048
LGA    F    10_D      F    10_D     0.803     0    0.014   0.094     1.093   90.476   84.719
LGA    N    11_D      N    11_D     0.837     0    0.022   0.875     2.513   90.476   84.048
LGA    M    12_D      M    12_D     0.276     0    0.015   1.171     5.042  100.000   82.976
LGA    M    13_D      M    13_D     0.089     0    0.011   0.139     0.929  100.000   96.429
LGA    F    14_D      F    14_D     0.584     0    0.013   0.157     1.846   92.857   84.069
LGA    M    15_D      M    15_D     0.969     0    0.027   0.889     2.684   88.214   80.833
LGA    L    16_D      L    16_D     0.864     0    0.036   0.094     1.760   90.476   86.012
LGA    L    17_D      L    17_D     0.389     0    0.012   0.267     0.933   92.857   92.857
LGA    W    18_D      W    18_D     0.970     0    0.022   1.505     7.491   90.476   64.592
LGA    R    19_D      R    19_D     1.203     0    0.017   1.310     5.801   81.429   65.195
LGA    V    20_D      V    20_D     0.863     0    0.025   0.087     1.157   90.476   87.891
LGA    F    21_D      F    21_D     0.481     0    0.039   0.415     1.515   95.238   87.316
LGA    R    22_D      R    22_D     2.016     0    0.122   0.795     3.599   67.024   60.866
LGA    S    23_D      S    23_D     2.573     0    0.280   0.631     3.749   71.310   61.984
LGA    Q    24_D      Q    24_D     0.368     0    0.581   0.688     1.824   88.333   85.556
LGA    R    25_D      R    25_D     3.609     0    0.640   1.381    15.948   38.333   16.926
LGA    I    26_D      I    26_D     8.129     0    0.583   0.553    12.661    8.452    4.226
LGA    D    27_D      D    27_D     6.651     0    0.443   0.874     7.535   16.310   14.048
LGA    A    28_D      A    28_D     7.716     0    0.683   0.625     9.453   11.905    9.810
LGA    N    29_D      N    29_D     5.205     0    0.013   0.837     9.678   35.833   21.429
LGA    N    30_D      N    30_D     0.830     0    0.432   0.526     5.495   84.048   63.274
LGA    V    31_D      V    31_D     0.761     0    0.053   0.062     1.061   90.476   89.184
LGA    E    32_D      E    32_D     0.809     0    0.019   0.779     2.615   90.476   79.101
LGA    L    33_D      L    33_D     0.729     0    0.021   0.063     0.803   90.476   90.476
LGA    I    34_D      I    34_D     0.251     0    0.012   0.083     0.468  100.000  100.000
LGA    K    35_D      K    35_D     0.399     0    0.006   0.629     2.142   95.238   88.995
LGA    F    36_D      F    36_D     0.700     0    0.030   0.076     1.448   90.476   86.364
LGA    N    37_D      N    37_D     0.399     0    0.043   0.057     0.526  100.000   98.810
LGA    I    38_D      I    38_D     0.426     0    0.011   0.132     0.782   95.238   96.429
LGA    R    39_D      R    39_D     0.785     0    0.024   0.984     4.678   88.214   75.974
LGA    V    40_D      V    40_D     0.870     0    0.016   0.055     0.958   90.476   90.476
LGA    L    41_D      L    41_D     0.747     0    0.028   0.371     1.603   90.476   88.274
LGA    D    42_D      D    42_D     1.139     0    0.018   0.134     1.357   83.690   82.560
LGA    W    43_D      W    43_D     1.307     0    0.014   0.180     2.124   81.429   75.374
LGA    I    44_D      I    44_D     0.988     0    0.007   0.062     1.150   83.690   87.083
LGA    M    45_D      M    45_D     1.155     0    0.010   0.146     1.399   81.429   83.690
LGA    A    46_D      A    46_D     1.537     0    0.005   0.005     1.653   77.143   76.286
LGA    E    47_D      E    47_D     1.390     0    0.016   0.663     2.430   81.429   74.921
LGA    A    48_D      A    48_D     1.169     0    0.011   0.016     1.345   81.429   81.429
LGA    D    49_D      D    49_D     1.548     0    0.014   0.109     1.657   75.000   73.929
LGA    N    50_D      N    50_D     1.678     0    0.008   0.135     2.180   72.857   71.845
LGA    D    51_D      D    51_D     1.133     0    0.000   0.088     1.336   81.429   85.952
LGA    L    52_D      L    52_D     1.278     0    0.023   0.153     1.721   81.429   80.357
LGA    C    53_D      C    53_D     1.901     0    0.014   0.076     1.998   72.857   72.857
LGA    Y    54_D      Y    54_D     1.788     0    0.027   0.093     2.366   72.857   70.159
LGA    F    55_D      F    55_D     1.660     0    0.606   0.678     2.687   68.929   64.892
LGA    I    56_D      I    56_D     2.592     0    0.506   0.464     4.113   60.952   52.202
LGA    G    57_D      G    57_D     2.821     0    0.536   0.536     3.579   53.690   53.690
LGA    T    58_D      T    58_D     2.990     0    0.496   1.069     4.077   59.167   50.612
LGA    H    59_D      H    59_D     6.832     0    0.388   1.539    10.804   17.976    7.524
LGA    D    60_D      D    60_D     4.762     0    0.199   0.283     6.632   34.286   27.024
LGA    K    61_D      K    61_D     4.311     0    0.207   1.034     4.690   35.714   34.603
LGA    C    62_D      C    62_D     4.104     0    0.107   0.817     4.672   35.714   39.524
LGA    E    63_D      E    63_D     4.332     0    0.558   0.864     4.643   35.833   39.312
LGA    N    64_D      N    64_D     5.251     0    0.140   0.602    10.433   27.976   17.143
LGA    P    65_D      P    65_D     3.816     0    0.657   0.571     4.503   43.810   51.837
LGA    K    66_D      K    66_D     6.876     0    0.587   1.260    15.976    9.167    4.286
LGA    E    67_D      E    67_D    11.311     0    0.045   1.039    14.008    0.357    0.159
LGA    Q    68_D      Q    68_D    13.743     0    0.629   1.185    17.404    0.000    0.000
LGA    W    69_D      W    69_D    13.732     0    0.474   0.690    16.311    0.000    0.034
LGA    V    70_D      V    70_D    18.720     0    0.200   0.240    22.234    0.000    0.000
LGA    A    71_D      A    71_D    23.477     0    0.622   0.594    24.107    0.000    0.000
LGA    N    72_D      N    72_D    25.024     0    0.304   0.320    27.426    0.000    0.000
LGA    Y    73_D      Y    73_D    25.193     0    0.380   1.422    28.837    0.000    0.000
LGA    Q    74_D      Q    74_D    32.289     0    0.103   1.017    36.538    0.000    0.000
LGA    N    75_D      N    75_D    35.573     0    0.388   0.395    39.095    0.000    0.000
LGA    L    76_D      L    76_D    32.653     0    0.580   0.874    34.615    0.000    0.000
LGA    N    77_D      N    77_D    37.627     0    0.023   0.862    41.199    0.000    0.000
LGA    N    78_D      N    78_D    40.802     0    0.396   0.388    45.228    0.000    0.000
LGA    V    79_D      V    79_D    36.621     0    0.076   1.123    37.930    0.000    0.000
LGA    V    80_D      V    80_D    36.997     0    0.630   0.650    39.815    0.000    0.000
LGA    F    81_D      F    81_D    40.286     0    0.543   0.595    44.255    0.000    0.000
LGA    T    82_D      T    82_D    47.290     0    0.655   0.559    48.594    0.000    0.000
LGA    N    83_D      N    83_D    49.047     0    0.275   0.857    53.432    0.000    0.000
LGA    K    84_D      K    84_D    51.880     0    0.613   0.507    58.710    0.000    0.000
LGA    E    85_D      E    85_D    48.582     0    0.597   0.669    51.429    0.000    0.000
LGA    L    86_D      L    86_D    44.403     0    0.636   0.966    45.841    0.000    0.000
LGA    E    87_D      E    87_D    48.942     0    0.614   0.893    56.208    0.000    0.000
LGA    D    88_D      D    88_D    48.486     0    0.381   0.397    53.848    0.000    0.000
LGA    I    89_D      I    89_D    41.267     0    0.223   1.386    44.033    0.000    0.000
LGA    Y    90_D      Y    90_D    41.640     0    0.602   1.383    44.273    0.000    0.000
LGA    D    91_D      D    91_D    46.752     0    0.658   1.220    48.504    0.000    0.000
LGA    L    92_D      L    92_D    45.659     0    0.054   0.173    49.571    0.000    0.000
LGA    S    93_D      S    93_D    40.196     0    0.541   0.741    42.233    0.000    0.000
LGA    N    94_D      N    94_D    39.765     0    0.012   0.273    42.264    0.000    0.000
LGA    K    95_D      K    95_D    39.926     0    0.615   1.011    42.830    0.000    0.000
LGA    E    96_D      E    96_D    38.060     0    0.028   1.167    43.456    0.000    0.000
LGA    E    97_D      E    97_D    30.814     0    0.133   1.015    33.428    0.000    0.000
LGA    T    98_D      T    98_D    31.839     0    0.187   1.088    33.983    0.000    0.000
LGA    K    99_D      K    99_D    37.052     0    0.013   0.788    46.914    0.000    0.000
LGA    E   100_D      E   100_D    33.171     0    0.012   1.370    34.202    0.000    0.000
LGA    V   101_D      V   101_D    27.330     0    0.021   1.335    29.340    0.000    0.000
LGA    L   102_D      L   102_D    32.008     0    0.008   1.345    35.259    0.000    0.000
LGA    K   103_D      K   103_D    36.008     0    0.031   0.476    45.375    0.000    0.000
LGA    K   104_D      K   104_D    30.418     0    0.009   0.537    32.149    0.000    0.000
LGA    F   105_D      F   105_D    27.557     0    0.005   1.426    29.572    0.000    0.000
LGA    K   106_D      K   106_D    34.218     0    0.017   1.070    43.570    0.000    0.000
LGA    E   107_D      E   107_D    35.228     0    0.010   1.049    38.286    0.000    0.000
LGA    K   108_D      K   108_D    28.615     0    0.012   0.584    30.675    0.000    0.000
LGA    V   109_D      V   109_D    29.373     0    0.015   0.036    31.639    0.000    0.000
LGA    N   110_D      N   110_D    36.136     0    0.011   0.059    41.329    0.000    0.000
LGA    Q   111_D      Q   111_D    34.095     0    0.016   0.247    34.424    0.000    0.000
LGA    F   112_D      F   112_D    28.292     0    0.016   1.439    30.155    0.000    0.000
LGA    Y   113_D      Y   113_D    32.849     0    0.029   0.288    34.770    0.000    0.000
LGA    R   114_D      R   114_D    38.001     0    0.026   0.342    43.599    0.000    0.000
LGA    H   115_D      H   115_D    33.550     0    0.020   1.100    34.646    0.000    0.000
LGA    A   116_D      A   116_D    29.869     0    0.000   0.008    32.052    0.000    0.000
LGA    F   117_D      F   117_D    36.163     0    0.013   0.063    39.112    0.000    0.000
LGA    D   118_D      D   118_D    39.990     0    0.009   0.038    43.961    0.000    0.000
LGA    I   119_D      I   119_D    35.153     0    0.011   0.100    36.602    0.000    0.000
LGA    I   120_D      I   120_D    35.847     0    0.026   0.072    39.534    0.000    0.000
LGA    N   121_D      N   121_D    43.414     0    0.016   0.041    45.873    0.000    0.000
LGA    K   122_D      K   122_D    44.228     0    0.031   0.189    46.847    0.000    0.000
LGA    Y   123_D      Y   123_D    40.044     0    0.103   1.328    41.006    0.000    0.000
LGA    G   124_D      G   124_D    39.602     0    0.204   0.204    39.880    0.000    0.000
LGA    L   125_D      L   125_D    39.902     0    0.673   0.565    41.532    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00    1059   1059  100.00               124
SUMMARY(RMSD_GDC):    15.135         15.100                 16.061           38.275   35.700

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     58    1.82    44.556    41.363     3.019

LGA_LOCAL      RMSD:   1.821  Number of atoms:   58  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.312  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  15.135  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.418589 * X  +   0.013456 * Y  +   0.908076 * Z  +  -9.519884
  Y_new =   0.572034 * X  +   0.780521 * Y  +   0.252120 * Z  + -37.565758
  Z_new =  -0.705380 * X  +   0.624985 * Y  +  -0.334415 * Z  +  68.050407 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.202518  0.782959  2.062109   [DEG:  126.1950   44.8602  118.1502 ]
ZXZ:  1.841617  1.911780 -0.845755   [DEG:  105.5169  109.5369  -48.4582 ]
 
# END of job
