
#######################################################
#                                                     #
#                        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:    61       2_D - 62_D        4.62    23.91
  LCS_AVERAGE:     40.39

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      94_D - 125_D       1.87    23.78
  LCS_AVERAGE:     18.65

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23       3_D - 25_D        0.91    19.75
  LCS_AVERAGE:     13.05

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      3   25   61      3    7   15   17   22   25   27   34   36   43   49   53   54   57   59   59   59   59   60   60 
LCS_GDT     K     3_D     K     3_D     23   25   61     12   19   22   25   27   29   35   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     E     4_D     E     4_D     23   25   61     12   19   22   25   27   29   35   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     I     5_D     I     5_D     23   25   61     12   19   22   25   27   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     A     6_D     A     6_D     23   25   61     12   19   22   25   27   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     K     7_D     K     7_D     23   25   61     12   19   22   25   27   29   35   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     E     8_D     E     8_D     23   25   61     12   19   22   25   27   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     I     9_D     I     9_D     23   25   61     12   19   22   25   27   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     F    10_D     F    10_D     23   25   61     12   19   22   25   27   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     N    11_D     N    11_D     23   25   61     12   19   22   25   27   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     M    12_D     M    12_D     23   25   61     12   19   22   25   27   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     M    13_D     M    13_D     23   25   61     12   19   22   25   27   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     F    14_D     F    14_D     23   25   61     12   19   22   25   27   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     M    15_D     M    15_D     23   25   61      9   19   22   25   27   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     L    16_D     L    16_D     23   25   61      9   19   22   25   27   29   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     L    17_D     L    17_D     23   25   61      9   19   22   25   27   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     W    18_D     W    18_D     23   25   61      9   19   22   25   27   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     R    19_D     R    19_D     23   25   61      9   19   22   25   27   29   36   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     V    20_D     V    20_D     23   25   61      9   19   22   25   27   29   36   40   45   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     F    21_D     F    21_D     23   25   61      4   19   22   25   27   29   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     R    22_D     R    22_D     23   25   61      4   16   22   25   27   29   36   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     S    23_D     S    23_D     23   25   61      5   12   21   24   27   28   32   36   41   45   49   53   56   58   59   59   59   59   60   60 
LCS_GDT     Q    24_D     Q    24_D     23   25   61      8   19   22   25   27   28   33   39   44   46   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     R    25_D     R    25_D     23   25   61      3    3   21   25   27   29   36   40   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     I    26_D     I    26_D      3   25   61      9   11   16   20   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     D    27_D     D    27_D      3   25   61      9   11   14   18   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     A    28_D     A    28_D      3   22   61      3    4   11   18   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     N    29_D     N    29_D      3   22   61      3    3    4    6   10   17   32   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     N    30_D     N    30_D     12   23   61      5   10   13   18   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     V    31_D     V    31_D     12   24   61      6   10   15   20   24   29   34   39   43   47   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     E    32_D     E    32_D     19   24   61     11   15   18   20   24   29   34   39   43   46   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     L    33_D     L    33_D     19   24   61      6   11   18   20   24   29   36   40   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     I    34_D     I    34_D     19   24   61      6   12   18   20   24   29   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     K    35_D     K    35_D     19   24   61      6   12   18   20   24   29   34   39   43   47   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     F    36_D     F    36_D     19   24   61      5   15   18   20   24   29   34   39   43   47   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     N    37_D     N    37_D     19   24   61     11   15   18   20   24   29   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     I    38_D     I    38_D     19   24   61      4   15   18   20   24   29   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     R    39_D     R    39_D     19   24   61      5   15   18   20   24   29   35   39   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     V    40_D     V    40_D     19   24   61      9   15   18   20   24   29   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     L    41_D     L    41_D     19   24   61     11   15   18   20   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     D    42_D     D    42_D     19   24   61     11   15   18   20   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     W    43_D     W    43_D     19   24   61     11   15   18   20   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     I    44_D     I    44_D     19   24   61     11   15   18   20   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     M    45_D     M    45_D     19   24   61     11   15   18   20   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     A    46_D     A    46_D     19   24   61     11   15   18   20   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     E    47_D     E    47_D     19   24   61     11   15   18   20   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     A    48_D     A    48_D     19   24   61     11   15   18   20   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     D    49_D     D    49_D     19   24   61     11   15   18   20   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     N    50_D     N    50_D     19   24   61      4   14   17   19   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     D    51_D     D    51_D     17   24   61      5    6   13   18   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     L    52_D     L    52_D      6   24   61      5    7   12   19   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     C    53_D     C    53_D      6   24   61      5    6    6   25   27   29   35   41   45   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     Y    54_D     Y    54_D      6   24   61      5    6   22   25   27   29   34   39   45   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     F    55_D     F    55_D      6   24   61      5    6   22   25   27   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     I    56_D     I    56_D      6   21   61      3    4   11   15   24   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     G    57_D     G    57_D      4   21   61      3    3    7   15   23   29   34   39   45   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     T    58_D     T    58_D      3    4   61      3    3    3   16   27   30   37   41   46   49   51   54   56   58   59   59   59   59   60   60 
LCS_GDT     H    59_D     H    59_D      3    4   61      3    3   10   16   18   22   32   34   42   47   51   53   56   58   59   59   59   59   60   60 
LCS_GDT     D    60_D     D    60_D      4    5   61      3    4    5   21   26   28   31   34   37   46   50   53   56   58   59   59   59   59   60   60 
LCS_GDT     K    61_D     K    61_D      4    5   61      3    4    5    5    6    8   11   25   29   32   35   36   41   49   50   51   55   57   60   60 
LCS_GDT     C    62_D     C    62_D      4    5   61      3    4    5    5    6    8   11   19   22   23   25   27   30   34   38   46   48   49   53   56 
LCS_GDT     E    63_D     E    63_D      4   19   26      3    4    5    5   11   12   17   18   22   23   26   27   30   34   39   46   48   49   52   59 
LCS_GDT     N    64_D     N    64_D     17   19   26      3    7   16   17   18   18   19   21   22   23   26   27   32   34   39   46   48   55   58   60 
LCS_GDT     P    65_D     P    65_D     17   19   26      3   13   16   17   18   18   19   21   22   23   26   28   35   37   40   46   48   55   58   60 
LCS_GDT     K    66_D     K    66_D     17   19   26      3   13   16   17   18   18   19   30   32   34   34   35   36   39   41   46   48   55   58   60 
LCS_GDT     E    67_D     E    67_D     17   19   26      4    8   16   17   21   25   27   30   32   34   34   35   36   39   41   46   48   55   58   60 
LCS_GDT     Q    68_D     Q    68_D     17   19   26      4   13   16   17   18   24   27   30   32   34   34   35   36   39   41   46   48   55   58   60 
LCS_GDT     W    69_D     W    69_D     17   19   26      4   13   16   17   21   25   27   30   32   34   34   35   36   39   41   46   48   55   58   60 
LCS_GDT     V    70_D     V    70_D     17   19   26      4   13   16   17   21   25   27   30   32   34   34   35   36   39   41   46   48   55   58   60 
LCS_GDT     A    71_D     A    71_D     17   19   26      4   13   16   17   21   25   27   30   32   34   34   35   36   39   41   46   48   55   58   60 
LCS_GDT     N    72_D     N    72_D     17   19   26      6   13   16   17   21   22   25   29   32   34   34   35   36   39   41   46   48   55   58   60 
LCS_GDT     Y    73_D     Y    73_D     17   19   26      5   13   16   17   21   22   27   30   32   34   34   35   36   39   43   46   48   55   58   60 
LCS_GDT     Q    74_D     Q    74_D     17   19   26      6   13   16   17   18   18   19   21   30   31   34   35   36   40   43   45   48   55   58   60 
LCS_GDT     N    75_D     N    75_D     17   19   37      6   13   16   17   18   18   19   21   22   23   26   31   35   39   41   42   47   55   58   60 
LCS_GDT     L    76_D     L    76_D     17   19   40      6   13   16   17   18   18   19   21   22   23   27   34   39   41   44   47   48   52   57   60 
LCS_GDT     N    77_D     N    77_D     17   19   42      6   13   16   17   18   18   19   21   25   29   33   35   39   42   44   47   48   52   57   60 
LCS_GDT     N    78_D     N    78_D     17   19   42      6   13   16   17   18   18   19   21   22   26   32   34   38   41   44   47   48   49   54   59 
LCS_GDT     V    79_D     V    79_D     17   19   42      3   12   16   17   18   18   19   21   23   29   33   35   39   42   44   47   48   49   52   55 
LCS_GDT     V    80_D     V    80_D     17   19   42      3    7   16   17   18   18   19   21   25   29   33   36   39   42   44   47   48   49   50   55 
LCS_GDT     F    81_D     F    81_D     12   19   42      3    4   10   16   18   18   19   21   22   23   28   31   35   42   44   47   48   49   50   55 
LCS_GDT     T    82_D     T    82_D      4   19   42      3    3    4    5    7   10   12   17   21   23   26   27   32   36   40   41   46   49   50   52 
LCS_GDT     N    83_D     N    83_D      4    5   43      3    3    4    5    7   14   17   20   25   29   33   35   39   42   44   47   48   49   50   51 
LCS_GDT     K    84_D     K    84_D      3    4   43      3    3    3    5    6    7   10   15   24   29   33   35   39   42   44   47   48   49   50   51 
LCS_GDT     E    85_D     E    85_D      3    4   43      1    3    4    5    5    6    8   13   20   23   30   34   39   42   44   47   48   49   50   51 
LCS_GDT     L    86_D     L    86_D      4    6   43      1    3    4    5    5    8   15   19   22   27   32   36   39   42   44   47   48   49   50   51 
LCS_GDT     E    87_D     E    87_D      4    6   43      3    3    4    5    7   12   16   22   25   29   33   36   39   42   44   47   48   49   50   51 
LCS_GDT     D    88_D     D    88_D      4    6   43      3    3    4    5    7   11   15   21   25   29   33   36   39   42   44   47   48   49   50   51 
LCS_GDT     I    89_D     I    89_D      4    6   43      3    3    4    5    7   10   19   26   31   32   33   36   39   42   44   47   48   49   50   51 
LCS_GDT     Y    90_D     Y    90_D      3    6   43      3    4    5   11   16   21   25   29   31   32   32   36   39   41   44   47   48   49   50   51 
LCS_GDT     D    91_D     D    91_D      3    6   43      3    3    3    6    8   12   16   19   23   29   32   35   39   41   44   47   48   49   50   51 
LCS_GDT     L    92_D     L    92_D      3    4   43      3    3    3    6    8    9   10   17   22   29   33   35   39   42   44   47   48   49   50   51 
LCS_GDT     S    93_D     S    93_D      3   28   43      3    3    3    4    8   14   18   21   24   29   32   35   39   41   44   47   48   49   50   51 
LCS_GDT     N    94_D     N    94_D     21   32   43     12   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   51 
LCS_GDT     K    95_D     K    95_D     21   32   43     10   17   21   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   51 
LCS_GDT     E    96_D     E    96_D     22   32   43     12   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   52 
LCS_GDT     E    97_D     E    97_D     22   32   43     12   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   51   54 
LCS_GDT     T    98_D     T    98_D     22   32   43     12   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   52 
LCS_GDT     K    99_D     K    99_D     22   32   43     12   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   52 
LCS_GDT     E   100_D     E   100_D     22   32   43     12   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   52   55 
LCS_GDT     V   101_D     V   101_D     22   32   43     12   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   51   55   60 
LCS_GDT     L   102_D     L   102_D     22   32   43     12   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   52   55 
LCS_GDT     K   103_D     K   103_D     22   32   43     12   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   52 
LCS_GDT     K   104_D     K   104_D     22   32   43     12   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   52   55 
LCS_GDT     F   105_D     F   105_D     22   32   43     12   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   52   55 
LCS_GDT     K   106_D     K   106_D     22   32   43     12   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   52 
LCS_GDT     E   107_D     E   107_D     22   32   43      9   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   51 
LCS_GDT     K   108_D     K   108_D     22   32   43      9   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   55 
LCS_GDT     V   109_D     V   109_D     22   32   43      9   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   52 
LCS_GDT     N   110_D     N   110_D     22   32   43      9   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   51 
LCS_GDT     Q   111_D     Q   111_D     22   32   43      9   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   51 
LCS_GDT     F   112_D     F   112_D     22   32   43      9   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   51 
LCS_GDT     Y   113_D     Y   113_D     22   32   43      9   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   51 
LCS_GDT     R   114_D     R   114_D     22   32   43      9   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   51 
LCS_GDT     H   115_D     H   115_D     22   32   43      5   17   22   25   29   30   31   32   32   32   32   36   39   42   44   47   48   49   50   51 
LCS_GDT     A   116_D     A   116_D     22   32   43      5   17   22   25   29   30   31   32   32   32   32   36   39   42   44   47   48   49   50   51 
LCS_GDT     F   117_D     F   117_D     22   32   43      5   17   22   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   51 
LCS_GDT     D   118_D     D   118_D     21   32   43      5   15   21   25   29   30   31   32   32   32   32   36   39   42   44   47   48   49   50   51 
LCS_GDT     I   119_D     I   119_D     21   32   43      5   15   21   25   29   30   31   32   32   32   32   36   38   42   44   47   48   49   50   51 
LCS_GDT     I   120_D     I   120_D     21   32   43      5   13   20   25   29   30   31   32   32   32   32   36   39   42   44   47   48   49   50   51 
LCS_GDT     N   121_D     N   121_D     20   32   43      5   13   20   25   29   30   31   32   32   32   33   36   39   42   44   47   48   49   50   51 
LCS_GDT     K   122_D     K   122_D     19   32   43      5   12   18   22   25   30   31   32   32   32   32   33   38   42   44   47   48   49   50   51 
LCS_GDT     Y   123_D     Y   123_D     17   32   43      3   12   16   19   24   27   31   32   32   32   32   33   34   35   37   41   43   47   50   50 
LCS_GDT     G   124_D     G   124_D     13   32   43      3    4   16   25   29   30   31   32   32   32   32   36   39   40   44   47   48   49   50   51 
LCS_GDT     L   125_D     L   125_D      4   32   43      3    4   16   19   25   30   31   32   32   32   33   36   39   42   44   47   48   49   50   51 
LCS_AVERAGE  LCS_A:  24.03  (  13.05   18.65   40.39 )

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     12     19     22     25     29     30     37     41     46     49     51     54     56     58     59     59     59     59     60     60 
GDT PERCENT_AT   9.68  15.32  17.74  20.16  23.39  24.19  29.84  33.06  37.10  39.52  41.13  43.55  45.16  46.77  47.58  47.58  47.58  47.58  48.39  48.39
GDT RMS_LOCAL    0.34   0.60   0.76   1.00   1.56   1.62   2.42   2.54   2.87   2.99   3.17   3.45   3.61   3.85   3.94   3.94   3.94   3.94   4.21   4.21
GDT RMS_ALL_AT  20.24  20.01  20.02  20.14  23.68  23.72  24.32  23.73  24.35  23.78  23.95  24.35  24.48  24.35  24.33  24.33  24.33  24.33  24.18  24.18

# Checking swapping
#   possible swapping detected:  E     4_D      E     4_D
#   possible swapping detected:  F    10_D      F    10_D
#   possible swapping detected:  F    14_D      F    14_D
#   possible swapping detected:  E    32_D      E    32_D
#   possible swapping detected:  F    36_D      F    36_D
#   possible swapping detected:  E    47_D      E    47_D
#   possible swapping detected:  D    51_D      D    51_D
#   possible swapping detected:  Y    54_D      Y    54_D
#   possible swapping detected:  E    63_D      E    63_D
#   possible swapping detected:  Y    73_D      Y    73_D
#   possible swapping detected:  F    81_D      F    81_D
#   possible swapping detected:  E    85_D      E    85_D
#   possible swapping detected:  Y    90_D      Y    90_D
#   possible swapping detected:  E    96_D      E    96_D
#   possible swapping detected:  F   105_D      F   105_D
#   possible swapping detected:  E   107_D      E   107_D
#   possible swapping detected:  F   112_D      F   112_D
#   possible swapping detected:  Y   113_D      Y   113_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     7.322     0    0.344   0.808     8.302   10.476    9.643
LGA    K     3_D      K     3_D     3.056     0    0.361   1.097     8.801   50.357   36.243
LGA    E     4_D      E     4_D     2.484     0    0.041   1.251     7.419   64.881   47.143
LGA    I     5_D      I     5_D     0.817     0    0.043   1.075     2.818   88.214   78.988
LGA    A     6_D      A     6_D     1.967     0    0.038   0.058     2.630   68.810   66.476
LGA    K     7_D      K     7_D     2.706     0    0.042   0.684     5.843   62.857   43.545
LGA    E     8_D      E     8_D     1.627     0    0.074   0.630     5.749   79.405   57.513
LGA    I     9_D      I     9_D     0.708     0    0.034   1.368     4.368   88.214   72.440
LGA    F    10_D      F    10_D     2.003     0    0.047   0.243     2.639   70.833   67.749
LGA    N    11_D      N    11_D     1.669     0    0.027   1.068     4.384   79.405   67.679
LGA    M    12_D      M    12_D     1.099     0    0.029   0.273     3.488   83.690   72.560
LGA    M    13_D      M    13_D     1.790     0    0.062   1.044     2.819   72.976   69.048
LGA    F    14_D      F    14_D     1.458     0    0.106   0.212     6.708   85.952   51.342
LGA    M    15_D      M    15_D     1.956     0    0.042   1.191     4.385   69.048   57.143
LGA    L    16_D      L    16_D     3.241     0    0.099   1.466     8.789   53.690   35.655
LGA    L    17_D      L    17_D     2.770     0    0.018   0.239     4.061   59.048   53.810
LGA    W    18_D      W    18_D     1.694     0    0.056   0.580     2.900   65.000   72.211
LGA    R    19_D      R    19_D     3.839     0    0.043   1.314     7.218   40.476   28.225
LGA    V    20_D      V    20_D     4.675     0    0.051   0.116     5.576   31.548   29.320
LGA    F    21_D      F    21_D     3.529     0    0.045   0.892     7.082   43.333   32.165
LGA    R    22_D      R    22_D     3.950     0    0.106   1.574    11.771   36.548   24.026
LGA    S    23_D      S    23_D     6.345     0    0.239   0.222     8.549   18.452   13.968
LGA    Q    24_D      Q    24_D     5.935     0    0.571   0.819     9.610   23.810   15.767
LGA    R    25_D      R    25_D     4.762     0    0.226   1.338    10.670   37.738   16.061
LGA    I    26_D      I    26_D     1.108     0    0.248   0.299     5.494   86.071   62.798
LGA    D    27_D      D    27_D     1.229     0    0.205   0.689     3.004   81.429   71.310
LGA    A    28_D      A    28_D     1.668     0    0.043   0.047     3.067   67.262   63.810
LGA    N    29_D      N    29_D     3.770     0    0.616   0.930     5.449   59.762   45.000
LGA    N    30_D      N    30_D     3.429     0    0.586   0.748     4.725   43.690   43.512
LGA    V    31_D      V    31_D     8.085     0    0.025   0.111    11.519    6.905    3.946
LGA    E    32_D      E    32_D     9.097     0    0.081   0.982    14.434    5.119    2.275
LGA    L    33_D      L    33_D     5.392     0    0.033   1.128     6.399   27.976   33.333
LGA    I    34_D      I    34_D     4.645     0    0.035   0.100     6.532   26.429   23.631
LGA    K    35_D      K    35_D     8.355     0    0.031   0.875    13.172    6.667    2.963
LGA    F    36_D      F    36_D     7.682     0    0.055   1.423     8.498   12.143   11.948
LGA    N    37_D      N    37_D     3.907     0    0.101   0.784     5.236   40.714   41.488
LGA    I    38_D      I    38_D     5.052     0    0.038   0.585     6.900   27.500   22.917
LGA    R    39_D      R    39_D     6.428     0    0.083   1.187     8.958   21.667   12.857
LGA    V    40_D      V    40_D     4.402     0    0.024   1.181     5.187   42.619   38.776
LGA    L    41_D      L    41_D     1.898     0    0.048   1.380     3.794   66.905   60.357
LGA    D    42_D      D    42_D     3.193     0    0.055   0.772     7.129   57.262   39.881
LGA    W    43_D      W    43_D     2.618     0    0.028   1.057     3.494   65.000   61.667
LGA    I    44_D      I    44_D     1.570     0    0.042   1.285     4.533   75.000   67.262
LGA    M    45_D      M    45_D     2.041     0    0.042   1.198     7.425   70.952   48.214
LGA    A    46_D      A    46_D     2.061     0    0.038   0.046     2.688   75.119   71.524
LGA    E    47_D      E    47_D     1.256     0    0.051   0.736     4.738   77.143   58.942
LGA    A    48_D      A    48_D     2.983     0    0.040   0.041     3.512   53.810   51.714
LGA    D    49_D      D    49_D     3.235     0    0.025   0.782     5.867   51.786   40.774
LGA    N    50_D      N    50_D     2.401     0    0.040   0.077     2.679   59.048   62.917
LGA    D    51_D      D    51_D     2.632     0    0.137   0.997     4.164   64.881   56.726
LGA    L    52_D      L    52_D     1.270     0    0.039   0.944     5.775   79.286   60.476
LGA    C    53_D      C    53_D     3.602     0    0.028   0.731     6.838   44.167   37.857
LGA    Y    54_D      Y    54_D     4.776     0    0.048   0.208    10.012   34.524   18.095
LGA    F    55_D      F    55_D     2.987     0    0.502   0.628     4.131   57.262   50.390
LGA    I    56_D      I    56_D     3.258     0    0.064   1.199     4.201   45.000   48.810
LGA    G    57_D      G    57_D     4.926     0    0.232   0.232     5.488   34.524   34.524
LGA    T    58_D      T    58_D     2.786     0    0.187   1.113     6.748   45.833   50.748
LGA    H    59_D      H    59_D     6.055     0    0.362   1.394     9.752   16.429   10.190
LGA    D    60_D      D    60_D     8.228     0    0.526   0.952    10.368    5.595    7.798
LGA    K    61_D      K    61_D    12.766     0    0.423   1.240    14.854    0.000    0.000
LGA    C    62_D      C    62_D    16.495     0    0.037   0.813    17.814    0.000    0.000
LGA    E    63_D      E    63_D    18.711     0    0.584   1.247    20.711    0.000    0.000
LGA    N    64_D      N    64_D    21.663     0    0.602   0.793    25.365    0.000    0.000
LGA    P    65_D      P    65_D    22.143     0    0.176   0.478    22.892    0.000    0.000
LGA    K    66_D      K    66_D    21.623     0    0.082   1.431    24.227    0.000    0.000
LGA    E    67_D      E    67_D    26.707     0    0.080   0.384    30.261    0.000    0.000
LGA    Q    68_D      Q    68_D    27.486     0    0.042   1.431    28.440    0.000    0.000
LGA    W    69_D      W    69_D    24.698     0    0.025   1.585    26.126    0.000    0.000
LGA    V    70_D      V    70_D    27.361     0    0.038   1.196    29.273    0.000    0.000
LGA    A    71_D      A    71_D    30.739     0    0.030   0.042    31.510    0.000    0.000
LGA    N    72_D      N    72_D    28.403     0    0.042   0.898    28.839    0.000    0.000
LGA    Y    73_D      Y    73_D    27.321     0    0.026   0.455    28.853    0.000    0.000
LGA    Q    74_D      Q    74_D    31.033     0    0.050   0.579    37.111    0.000    0.000
LGA    N    75_D      N    75_D    32.360     0    0.048   1.118    35.006    0.000    0.000
LGA    L    76_D      L    76_D    29.176     0    0.032   0.756    30.027    0.000    0.000
LGA    N    77_D      N    77_D    30.463     0    0.042   1.085    34.903    0.000    0.000
LGA    N    78_D      N    78_D    34.758     0    0.059   0.855    38.328    0.000    0.000
LGA    V    79_D      V    79_D    32.866     0    0.076   1.276    33.134    0.000    0.000
LGA    V    80_D      V    80_D    30.043     0    0.071   0.169    31.646    0.000    0.000
LGA    F    81_D      F    81_D    34.886     0    0.143   1.369    37.859    0.000    0.000
LGA    T    82_D      T    82_D    37.771     0    0.088   1.185    38.614    0.000    0.000
LGA    N    83_D      N    83_D    33.659     0    0.233   1.359    34.866    0.000    0.000
LGA    K    84_D      K    84_D    33.442     0    0.611   1.042    33.837    0.000    0.000
LGA    E    85_D      E    85_D    35.148     0    0.594   1.424    39.821    0.000    0.000
LGA    L    86_D      L    86_D    31.476     0    0.637   1.070    32.357    0.000    0.000
LGA    E    87_D      E    87_D    29.364     0    0.582   1.175    29.921    0.000    0.000
LGA    D    88_D      D    88_D    29.061     0    0.343   0.592    30.359    0.000    0.000
LGA    I    89_D      I    89_D    28.894     0    0.156   1.385    32.399    0.000    0.000
LGA    Y    90_D      Y    90_D    26.249     0    0.569   1.394    31.150    0.000    0.000
LGA    D    91_D      D    91_D    25.819     0    0.542   1.305    26.605    0.000    0.000
LGA    L    92_D      L    92_D    29.490     0    0.590   1.442    35.698    0.000    0.000
LGA    S    93_D      S    93_D    27.501     0    0.651   0.552    27.923    0.000    0.000
LGA    N    94_D      N    94_D    29.354     0    0.543   0.831    31.782    0.000    0.000
LGA    K    95_D      K    95_D    33.915     0    0.040   0.997    43.819    0.000    0.000
LGA    E    96_D      E    96_D    35.313     0    0.036   1.378    40.593    0.000    0.000
LGA    E    97_D      E    97_D    30.105     0    0.047   0.792    31.627    0.000    0.000
LGA    T    98_D      T    98_D    28.930     0    0.029   0.070    30.674    0.000    0.000
LGA    K    99_D      K    99_D    34.460     0    0.061   0.932    42.784    0.000    0.000
LGA    E   100_D      E   100_D    34.480     0    0.042   0.291    39.621    0.000    0.000
LGA    V   101_D      V   101_D    29.099     0    0.062   0.947    30.703    0.000    0.000
LGA    L   102_D      L   102_D    31.087     0    0.045   0.226    33.032    0.000    0.000
LGA    K   103_D      K   103_D    36.663     0    0.050   0.297    46.553    0.000    0.000
LGA    K   104_D      K   104_D    33.851     0    0.044   1.109    34.513    0.000    0.000
LGA    F   105_D      F   105_D    29.456     0    0.048   1.433    30.976    0.000    0.000
LGA    K   106_D      K   106_D    34.314     0    0.048   0.719    43.521    0.000    0.000
LGA    E   107_D      E   107_D    37.792     0    0.033   1.055    42.898    0.000    0.000
LGA    K   108_D      K   108_D    32.574     0    0.028   1.003    34.043    0.000    0.000
LGA    V   109_D      V   109_D    30.487     0    0.057   1.238    32.676    0.000    0.000
LGA    N   110_D      N   110_D    37.128     0    0.046   0.174    41.076    0.000    0.000
LGA    Q   111_D      Q   111_D    37.732     0    0.047   0.957    38.255    0.000    0.000
LGA    F   112_D      F   112_D    31.952     0    0.043   0.184    33.686    0.000    0.000
LGA    Y   113_D      Y   113_D    34.028     0    0.052   0.580    36.230    0.000    0.000
LGA    R   114_D      R   114_D    40.402     0    0.033   1.062    46.771    0.000    0.000
LGA    H   115_D      H   115_D    38.086     0    0.052   1.297    38.396    0.000    0.000
LGA    A   116_D      A   116_D    33.149     0    0.032   0.053    34.680    0.000    0.000
LGA    F   117_D      F   117_D    37.495     0    0.064   1.403    40.151    0.000    0.000
LGA    D   118_D      D   118_D    42.802     0    0.039   0.147    46.587    0.000    0.000
LGA    I   119_D      I   119_D    38.650     0    0.024   0.210    39.524    0.000    0.000
LGA    I   120_D      I   120_D    36.717     0    0.052   0.714    39.437    0.000    0.000
LGA    N   121_D      N   121_D    43.559     0    0.034   1.082    47.582    0.000    0.000
LGA    K   122_D      K   122_D    45.975     0    0.060   0.909    52.273    0.000    0.000
LGA    Y   123_D      Y   123_D    41.160     0    0.124   1.252    43.983    0.000    0.000
LGA    G   124_D      G   124_D    38.711     0    0.211   0.211    40.711    0.000    0.000
LGA    L   125_D      L   125_D    45.227     0    0.586   1.597    49.299    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):    16.003         16.058                 16.521           24.357   20.469

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     41    2.54    29.032    27.500     1.551

LGA_LOCAL      RMSD:   2.544  Number of atoms:   41  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.726  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  16.003  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.478488 * X  +   0.877094 * Y  +   0.041891 * Z  + -36.005676
  Y_new =   0.877300 * X  +  -0.475482 * Y  +  -0.065280 * Z  + -54.256279
  Z_new =  -0.037339 * X  +   0.067987 * Y  +  -0.996987 * Z  + 107.688187 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.071484  0.037347  3.073506   [DEG:   61.3915    2.1398  176.0989 ]
ZXZ:  0.570523  3.063950 -0.502233   [DEG:   32.6886  175.5514  -28.7758 ]
 
# END of job
