
#######################################################
#                                                     #
#                        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        4.98    21.65
  LCS_AVERAGE:     46.92

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      93_D - 125_D       1.11    22.50
  LCS_AVERAGE:     19.31

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    32      94_D - 125_D       0.79    22.59
  LCS_AVERAGE:     15.39

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     22   26   70     16   21   22   22   24   28   32   39   43   47   52   55   60   63   64   68   69   70   71   71 
LCS_GDT     K     3_D     K     3_D     22   26   70     16   21   22   22   24   28   32   39   43   48   53   55   60   63   64   68   69   70   71   71 
LCS_GDT     E     4_D     E     4_D     22   26   70     16   21   22   22   24   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     I     5_D     I     5_D     22   26   70     16   21   22   22   24   28   32   39   43   48   53   55   60   63   64   68   69   70   71   71 
LCS_GDT     A     6_D     A     6_D     22   26   70     16   21   22   22   24   28   32   39   43   48   53   55   60   63   64   68   69   70   71   71 
LCS_GDT     K     7_D     K     7_D     22   26   70     16   21   22   22   24   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     E     8_D     E     8_D     22   26   70     16   21   22   22   24   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     I     9_D     I     9_D     22   26   70     16   21   22   22   24   25   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     F    10_D     F    10_D     22   26   70     16   21   22   22   24   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     N    11_D     N    11_D     22   26   70     16   21   22   22   24   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     M    12_D     M    12_D     22   26   70     16   21   22   22   24   25   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     M    13_D     M    13_D     22   26   70     16   21   22   22   24   25   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     F    14_D     F    14_D     22   26   70     16   21   22   22   24   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     M    15_D     M    15_D     22   26   70     16   21   22   22   24   25   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     L    16_D     L    16_D     22   26   70     16   21   22   22   24   25   30   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     L    17_D     L    17_D     22   26   70     16   21   22   22   24   27   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     W    18_D     W    18_D     22   26   70      6   21   22   22   24   27   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     R    19_D     R    19_D     22   26   70      5   21   22   22   24   25   27   35   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     V    20_D     V    20_D     22   26   70      9   21   22   22   24   25   29   37   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     F    21_D     F    21_D     22   26   70      9   21   22   22   24   27   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     R    22_D     R    22_D     22   26   70     10   21   22   22   24   25   31   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     S    23_D     S    23_D     22   26   70      4   19   22   22   24   25   27   35   40   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     Q    24_D     Q    24_D      8   26   70      4    5    8    8    8    9   15   22   25   26   33   46   55   61   64   68   69   70   71   71 
LCS_GDT     R    25_D     R    25_D      8   26   70      4    5    8   19   24   25   27   36   42   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     I    26_D     I    26_D      8   26   70      4    6    8   19   24   25   30   37   42   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     D    27_D     D    27_D      8   26   70      4    6    8   13   21   25   28   34   42   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     A    28_D     A    28_D      8   26   70      3    6   12   16   20   23   26   28   37   42   49   56   60   63   64   68   69   70   71   71 
LCS_GDT     N    29_D     N    29_D     20   26   70      3    6    8   18   20   22   25   28   32   38   46   50   57   61   64   68   69   70   71   71 
LCS_GDT     N    30_D     N    30_D     20   26   70      5   18   19   19   21   23   26   30   38   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     V    31_D     V    31_D     20   26   70     16   18   19   19   21   23   27   35   42   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     E    32_D     E    32_D     20   26   70     16   18   19   19   21   23   30   36   42   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     L    33_D     L    33_D     20   26   70     16   18   19   19   21   23   29   36   42   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     I    34_D     I    34_D     20   26   70     16   18   19   19   21   23   30   37   42   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     K    35_D     K    35_D     20   26   70     16   18   19   19   21   24   30   37   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     F    36_D     F    36_D     20   26   70     16   18   19   19   21   23   30   37   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     N    37_D     N    37_D     20   26   70     16   18   19   19   21   23   30   37   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     I    38_D     I    38_D     20   26   70     16   18   19   19   21   24   31   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     R    39_D     R    39_D     20   26   70     16   18   19   19   21   23   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     V    40_D     V    40_D     20   26   70     16   18   19   19   21   24   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     L    41_D     L    41_D     20   26   70     16   18   19   19   21   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     D    42_D     D    42_D     20   26   70     16   18   19   19   21   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     W    43_D     W    43_D     20   26   70     16   18   19   19   22   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     I    44_D     I    44_D     20   26   70     16   18   19   19   22   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     M    45_D     M    45_D     20   26   70     16   18   19   19   22   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     A    46_D     A    46_D     20   26   70     13   18   19   19   22   28   31   39   43   47   52   55   58   63   64   68   69   70   71   71 
LCS_GDT     E    47_D     E    47_D     20   26   70     16   18   19   19   22   28   31   37   40   44   48   53   56   60   64   68   69   70   71   71 
LCS_GDT     A    48_D     A    48_D     20   26   70      5   15   19   19   22   28   31   38   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     D    49_D     D    49_D     10   26   70      6    9   12   17   22   28   31   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     N    50_D     N    50_D     10   26   70      6    9   12   17   22   28   31   37   42   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     D    51_D     D    51_D     10   26   70      6    9   12   17   22   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     L    52_D     L    52_D     10   23   70      6    9   12   17   22   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     C    53_D     C    53_D     10   18   70      6    9   12   17   22   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     Y    54_D     Y    54_D     10   18   70      6    9   12   17   22   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     F    55_D     F    55_D     10   18   70      6    9   12   17   22   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     I    56_D     I    56_D     10   18   70      5    8   12   17   22   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     G    57_D     G    57_D      3   18   70      3    7   10   16   22   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     T    58_D     T    58_D      6   18   70      3    5   10   17   22   28   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     H    59_D     H    59_D      6   17   70      3    5    6   10   15   22   32   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     D    60_D     D    60_D      6   17   70      4    5    9   12   15   21   30   39   43   48   53   56   60   63   64   68   69   70   71   71 
LCS_GDT     K    61_D     K    61_D      6    9   70      4    5    6    7   11   16   19   24   28   36   45   53   60   63   64   68   69   70   71   71 
LCS_GDT     C    62_D     C    62_D      6   18   70      4    5    6    7    9   12   17   21   25   37   43   49   60   63   64   68   69   70   71   71 
LCS_GDT     E    63_D     E    63_D     14   18   70      4   12   14   16   17   17   18   21   23   25   32   34   39   55   58   62   68   70   71   71 
LCS_GDT     N    64_D     N    64_D     14   18   70      3    4    6   13   17   17   18   25   35   42   49   56   60   63   64   68   69   70   71   71 
LCS_GDT     P    65_D     P    65_D     14   18   70     11   12   14   16   17   17   22   29   36   43   50   56   60   63   64   68   69   70   71   71 
LCS_GDT     K    66_D     K    66_D     14   18   70     11   12   14   16   17   18   24   31   37   43   50   56   60   63   64   68   69   70   71   71 
LCS_GDT     E    67_D     E    67_D     14   18   70     11   12   14   16   17   18   24   31   37   43   50   56   60   63   64   68   69   70   71   71 
LCS_GDT     Q    68_D     Q    68_D     14   18   70     11   12   14   16   17   17   23   28   37   43   50   56   60   63   64   68   69   70   71   71 
LCS_GDT     W    69_D     W    69_D     14   18   70     11   12   14   16   17   17   21   27   37   40   48   54   58   61   64   68   69   70   71   71 
LCS_GDT     V    70_D     V    70_D     14   18   70     11   12   14   16   17   17   18   21   22   29   32   38   44   55   63   68   69   70   71   71 
LCS_GDT     A    71_D     A    71_D     14   18   70     11   12   14   16   17   17   18   21   22   27   32   41   54   60   64   68   69   70   71   71 
LCS_GDT     N    72_D     N    72_D     14   18   67     11   12   14   16   17   17   18   21   22   27   35   42   44   58   63   66   69   70   71   71 
LCS_GDT     Y    73_D     Y    73_D     14   18   60     11   12   14   16   17   17   18   21   22   25   32   34   35   38   42   50   60   66   69   71 
LCS_GDT     Q    74_D     Q    74_D     14   18   44     11   12   14   16   17   17   18   21   22   25   32   34   35   38   42   50   58   62   65   70 
LCS_GDT     N    75_D     N    75_D     14   18   40     11   12   14   16   17   17   18   21   22   25   32   34   35   38   44   50   60   64   69   70 
LCS_GDT     L    76_D     L    76_D     14   18   38      4    9   14   16   17   17   18   21   22   25   32   34   35   38   42   50   57   61   65   70 
LCS_GDT     N    77_D     N    77_D     14   18   37      4    5   12   16   17   17   18   21   22   25   32   35   38   40   42   50   57   61   65   69 
LCS_GDT     N    78_D     N    78_D     14   18   37      4    5   12   16   17   17   18   21   22   24   32   34   35   36   42   49   56   60   64   68 
LCS_GDT     V    79_D     V    79_D      6   18   37      4    5   14   16   17   17   18   21   22   24   32   34   35   36   42   47   54   60   64   67 
LCS_GDT     V    80_D     V    80_D      3   18   37      3    3    4    4    7   15   18   21   22   25   32   34   37   41   43   49   56   60   64   67 
LCS_GDT     F    81_D     F    81_D      4    5   36      3    4    4    4    4    5    6    9   17   24   28   31   34   35   39   42   44   46   48   53 
LCS_GDT     T    82_D     T    82_D      4    5   33      3    4    4    4    4    5    6    9   11   13   18   23   29   34   39   42   44   45   48   52 
LCS_GDT     N    83_D     N    83_D      4    5   43      3    4    4    4    4    5    6    9   11   13   18   20   28   30   38   40   42   46   48   53 
LCS_GDT     K    84_D     K    84_D      4    5   43      3    4    4    4    4    7    7    9   11   13   14   17   22   29   35   42   44   44   46   48 
LCS_GDT     E    85_D     E    85_D      3    4   43      3    3    4    5    5    7   14   17   23   31   35   39   40   41   41   44   44   46   48   50 
LCS_GDT     L    86_D     L    86_D      4    6   43      3    3    4    7    9   11   17   25   31   37   38   39   40   41   41   44   44   45   48   50 
LCS_GDT     E    87_D     E    87_D      4    6   43      3    4    4    7    9   11   17   24   31   37   38   39   40   41   41   44   44   45   46   48 
LCS_GDT     D    88_D     D    88_D      4    6   43      3    3    4    4    6   11   16   25   31   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     I    89_D     I    89_D      4    6   43      3    3    4    9   16   23   26   32   34   37   38   39   40   41   41   44   44   45   46   48 
LCS_GDT     Y    90_D     Y    90_D      3    6   43      3    3    3    5    6    7   11   13   32   36   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     D    91_D     D    91_D      3    6   43      3    3    3    5    8   13   19   27   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     L    92_D     L    92_D      3    4   43      3    3    3    4    4    6    6   20   26   31   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     S    93_D     S    93_D     28   33   43      3    3    7   16   26   33   33   33   34   36   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     N    94_D     N    94_D     32   33   43      3   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     K    95_D     K    95_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     E    96_D     E    96_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     E    97_D     E    97_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   48 
LCS_GDT     T    98_D     T    98_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     K    99_D     K    99_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   48 
LCS_GDT     E   100_D     E   100_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   47   49 
LCS_GDT     V   101_D     V   101_D     32   33   43     16   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   47   50 
LCS_GDT     L   102_D     L   102_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   49 
LCS_GDT     K   103_D     K   103_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   49 
LCS_GDT     K   104_D     K   104_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   46   48   52 
LCS_GDT     F   105_D     F   105_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   46   48   52 
LCS_GDT     K   106_D     K   106_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   50 
LCS_GDT     E   107_D     E   107_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   46   48   50 
LCS_GDT     K   108_D     K   108_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   46   48   52 
LCS_GDT     V   109_D     V   109_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   46   48   50 
LCS_GDT     N   110_D     N   110_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   47   50 
LCS_GDT     Q   111_D     Q   111_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   47   50 
LCS_GDT     F   112_D     F   112_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   46   48   50 
LCS_GDT     Y   113_D     Y   113_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   47   50 
LCS_GDT     R   114_D     R   114_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     H   115_D     H   115_D     32   33   43     17   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     A   116_D     A   116_D     32   33   43     18   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     F   117_D     F   117_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     D   118_D     D   118_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     I   119_D     I   119_D     32   33   43     19   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     I   120_D     I   120_D     32   33   43      9   22   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     N   121_D     N   121_D     32   33   43      7   15   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     K   122_D     K   122_D     32   33   43      7   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     Y   123_D     Y   123_D     32   33   43     11   28   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     G   124_D     G   124_D     32   33   43      3   26   30   31   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_GDT     L   125_D     L   125_D     32   33   43      3    3   27   30   32   33   33   33   34   37   38   39   40   41   41   44   44   45   46   47 
LCS_AVERAGE  LCS_A:  27.21  (  15.39   19.31   46.92 )

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     19     28     30     31     32     33     33     39     43     48     53     56     60     63     64     68     69     70     71     71 
GDT PERCENT_AT  15.32  22.58  24.19  25.00  25.81  26.61  26.61  31.45  34.68  38.71  42.74  45.16  48.39  50.81  51.61  54.84  55.65  56.45  57.26  57.26
GDT RMS_LOCAL    0.33   0.53   0.62   0.68   0.79   1.11   1.11   2.83   3.05   3.45   3.71   4.12   4.28   4.44   4.51   4.81   4.89   4.98   5.08   5.08
GDT RMS_ALL_AT  22.54  22.59  22.60  22.62  22.59  22.50  22.50  20.70  20.76  21.15  21.07  21.68  21.71  21.69  21.66  21.59  21.57  21.65  21.58  21.58

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  E     4_D      E     4_D
#   possible swapping detected:  E    32_D      E    32_D
#   possible swapping detected:  Y    54_D      Y    54_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    97_D      E    97_D
#   possible swapping detected:  F   105_D      F   105_D
#   possible swapping detected:  E   107_D      E   107_D
#   possible swapping detected:  F   117_D      F   117_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D     3.085     0    0.608   1.063     4.836   51.905   48.036
LGA    K     3_D      K     3_D     2.820     0    0.039   0.948     7.380   62.976   43.757
LGA    E     4_D      E     4_D     1.214     0    0.027   0.610     2.645   81.429   71.376
LGA    I     5_D      I     5_D     2.413     0    0.007   0.080     4.264   64.881   53.393
LGA    A     6_D      A     6_D     3.168     0    0.000   0.012     3.866   55.357   52.952
LGA    K     7_D      K     7_D     1.697     0    0.009   0.985     7.193   77.143   58.624
LGA    E     8_D      E     8_D     1.757     0    0.052   0.099     3.864   70.952   59.418
LGA    I     9_D      I     9_D     3.272     0    0.014   0.060     4.937   51.786   43.810
LGA    F    10_D      F    10_D     2.803     0    0.077   1.507    10.402   65.000   32.900
LGA    N    11_D      N    11_D     1.073     0    0.010   0.893     5.166   79.286   62.083
LGA    M    12_D      M    12_D     3.020     0    0.048   0.909     5.172   53.690   44.226
LGA    M    13_D      M    13_D     3.477     0    0.032   0.139     7.261   57.262   39.464
LGA    F    14_D      F    14_D     0.741     0    0.086   1.293     3.993   88.214   75.368
LGA    M    15_D      M    15_D     2.901     0    0.035   0.952     7.938   57.500   38.214
LGA    L    16_D      L    16_D     4.047     0    0.057   1.255     8.450   45.119   34.405
LGA    L    17_D      L    17_D     2.411     0    0.027   0.635     5.681   69.048   50.952
LGA    W    18_D      W    18_D     2.031     0    0.036   0.450     8.951   59.881   28.980
LGA    R    19_D      R    19_D     5.215     0    0.037   1.227     6.953   28.214   26.147
LGA    V    20_D      V    20_D     4.768     0    0.041   1.354     6.347   35.833   30.476
LGA    F    21_D      F    21_D     2.182     0    0.015   1.010     5.216   59.048   51.342
LGA    R    22_D      R    22_D     4.553     0    0.147   1.093    13.285   30.595   14.978
LGA    S    23_D      S    23_D     6.007     0    0.598   0.562     7.673   15.119   17.222
LGA    Q    24_D      Q    24_D     9.750     0    0.571   0.828    17.727    5.000    2.222
LGA    R    25_D      R    25_D     7.907     0    0.024   1.027    11.522    4.048    3.247
LGA    I    26_D      I    26_D     8.039     0    0.063   0.673     8.700    4.405    6.190
LGA    D    27_D      D    27_D    10.476     0    0.064   1.256    12.362    0.119    0.060
LGA    A    28_D      A    28_D    13.156     0    0.632   0.615    15.017    0.000    0.000
LGA    N    29_D      N    29_D    14.466     0    0.248   0.912    16.078    0.000    0.000
LGA    N    30_D      N    30_D    10.755     0    0.306   1.191    12.128    0.357    0.357
LGA    V    31_D      V    31_D     9.776     0    0.043   1.336    11.314    1.190    0.748
LGA    E    32_D      E    32_D     9.396     0    0.059   1.045    13.142    2.976    1.376
LGA    L    33_D      L    33_D     8.393     0    0.000   0.090     9.357    6.190    4.583
LGA    I    34_D      I    34_D     7.094     0    0.019   0.159     8.420   12.976   10.893
LGA    K    35_D      K    35_D     6.415     0    0.020   0.677     7.768   19.524   15.450
LGA    F    36_D      F    36_D     5.810     0    0.020   0.208     6.473   24.048   21.255
LGA    N    37_D      N    37_D     4.923     0    0.026   0.159     6.179   34.524   27.500
LGA    I    38_D      I    38_D     3.668     0    0.019   0.155     5.369   48.810   41.667
LGA    R    39_D      R    39_D     3.001     0    0.041   0.747     4.282   57.500   53.550
LGA    V    40_D      V    40_D     3.170     0    0.021   1.328     6.227   53.571   45.510
LGA    L    41_D      L    41_D     1.901     0    0.020   1.120     4.351   72.976   68.690
LGA    D    42_D      D    42_D     1.160     0    0.020   0.208     2.811   79.286   72.202
LGA    W    43_D      W    43_D     2.125     0    0.039   0.573     8.355   61.190   37.687
LGA    I    44_D      I    44_D     3.498     0    0.009   0.053     4.306   48.571   44.464
LGA    M    45_D      M    45_D     3.069     0    0.103   0.178     4.747   45.476   59.226
LGA    A    46_D      A    46_D     3.905     0    0.143   0.156     5.253   37.738   38.857
LGA    E    47_D      E    47_D     5.235     0    0.169   0.226     6.533   28.810   22.857
LGA    A    48_D      A    48_D     4.245     0    0.049   0.059     4.921   40.476   41.048
LGA    D    49_D      D    49_D     4.029     0    0.059   0.748     6.447   38.690   31.964
LGA    N    50_D      N    50_D     4.801     0    0.011   0.079     7.220   35.833   25.179
LGA    D    51_D      D    51_D     3.386     0    0.027   0.145     5.795   57.738   44.821
LGA    L    52_D      L    52_D     1.038     0    0.008   1.254     2.971   77.143   74.345
LGA    C    53_D      C    53_D     3.329     0    0.016   0.073     5.113   51.786   45.079
LGA    Y    54_D      Y    54_D     3.121     0    0.014   0.974    10.842   57.381   28.056
LGA    F    55_D      F    55_D     1.387     0    0.520   1.523     5.315   77.381   58.831
LGA    I    56_D      I    56_D     0.477     0    0.520   0.494     2.878   80.119   76.548
LGA    G    57_D      G    57_D     0.948     0    0.544   0.544     3.060   75.833   75.833
LGA    T    58_D      T    58_D     3.616     0    0.096   1.174     6.196   51.548   38.707
LGA    H    59_D      H    59_D     3.384     0    0.422   1.483     8.171   44.881   28.143
LGA    D    60_D      D    60_D     3.587     0    0.215   1.087     6.361   34.167   35.952
LGA    K    61_D      K    61_D     7.792     0    0.301   0.518    11.666    7.857    4.180
LGA    C    62_D      C    62_D     8.413     0    0.091   0.660     9.116    4.762    6.587
LGA    E    63_D      E    63_D    11.431     0    0.613   1.129    17.420    0.000    0.000
LGA    N    64_D      N    64_D     8.852     0    0.188   0.814     9.249    2.500    5.060
LGA    P    65_D      P    65_D     9.282     0    0.167   0.191    10.172    1.548    1.088
LGA    K    66_D      K    66_D     9.900     0    0.024   1.189    17.141    0.238    0.106
LGA    E    67_D      E    67_D    10.790     0    0.039   0.940    12.232    0.000    0.000
LGA    Q    68_D      Q    68_D     9.391     0    0.030   1.142    10.108    1.190    1.323
LGA    W    69_D      W    69_D     9.787     0    0.025   1.640    10.811    0.476    2.415
LGA    V    70_D      V    70_D    11.750     0    0.015   1.335    14.862    0.000    0.000
LGA    A    71_D      A    71_D    10.979     0    0.035   0.036    11.107    0.000    0.000
LGA    N    72_D      N    72_D    10.396     0    0.010   0.087    11.699    0.000    0.179
LGA    Y    73_D      Y    73_D    12.726     0    0.015   0.362    17.058    0.000    0.000
LGA    Q    74_D      Q    74_D    13.656     0    0.118   1.032    18.022    0.000    0.000
LGA    N    75_D      N    75_D    12.626     0    0.067   0.266    13.228    0.000    0.000
LGA    L    76_D      L    76_D    13.586     0    0.067   0.978    14.687    0.000    0.000
LGA    N    77_D      N    77_D    14.046     0    0.124   0.906    16.813    0.000    0.000
LGA    N    78_D      N    78_D    14.447     0    0.185   0.183    15.152    0.000    0.000
LGA    V    79_D      V    79_D    15.415     0    0.616   1.349    16.604    0.000    0.000
LGA    V    80_D      V    80_D    14.713     0    0.619   1.436    18.635    0.000    0.000
LGA    F    81_D      F    81_D    21.200     0    0.533   1.221    22.143    0.000    0.000
LGA    T    82_D      T    82_D    24.812     0    0.662   0.562    26.755    0.000    0.000
LGA    N    83_D      N    83_D    23.495     0    0.286   0.910    26.346    0.000    0.000
LGA    K    84_D      K    84_D    29.006     0    0.620   0.945    37.643    0.000    0.000
LGA    E    85_D      E    85_D    28.103     0    0.602   0.642    29.882    0.000    0.000
LGA    L    86_D      L    86_D    25.849     0    0.634   1.000    28.019    0.000    0.000
LGA    E    87_D      E    87_D    29.947     0    0.601   0.752    33.090    0.000    0.000
LGA    D    88_D      D    88_D    31.167     0    0.396   0.463    33.501    0.000    0.000
LGA    I    89_D      I    89_D    28.307     0    0.223   1.366    28.960    0.000    0.000
LGA    Y    90_D      Y    90_D    28.800     0    0.636   1.327    33.114    0.000    0.000
LGA    D    91_D      D    91_D    32.121     0    0.715   1.209    32.640    0.000    0.000
LGA    L    92_D      L    92_D    34.666     0    0.635   1.350    37.923    0.000    0.000
LGA    S    93_D      S    93_D    34.990     0    0.166   0.165    35.069    0.000    0.000
LGA    N    94_D      N    94_D    35.155     0    0.639   0.759    35.785    0.000    0.000
LGA    K    95_D      K    95_D    39.041     0    0.033   0.775    50.091    0.000    0.000
LGA    E    96_D      E    96_D    36.271     0    0.018   1.174    41.260    0.000    0.000
LGA    E    97_D      E    97_D    29.043     0    0.007   1.137    31.646    0.000    0.000
LGA    T    98_D      T    98_D    31.078     0    0.008   0.043    33.382    0.000    0.000
LGA    K    99_D      K    99_D    35.575     0    0.015   0.467    45.274    0.000    0.000
LGA    E   100_D      E   100_D    31.028     0    0.046   1.108    34.071    0.000    0.000
LGA    V   101_D      V   101_D    25.349     0    0.055   0.937    27.410    0.000    0.000
LGA    L   102_D      L   102_D    30.191     0    0.018   1.215    33.019    0.000    0.000
LGA    K   103_D      K   103_D    33.488     0    0.036   0.873    42.016    0.000    0.000
LGA    K   104_D      K   104_D    27.499     0    0.006   0.910    29.394    0.000    0.000
LGA    F   105_D      F   105_D    24.973     0    0.007   1.434    26.935    0.000    0.000
LGA    K   106_D      K   106_D    31.475     0    0.033   0.591    42.714    0.000    0.000
LGA    E   107_D      E   107_D    32.522     0    0.027   1.046    35.334    0.000    0.000
LGA    K   108_D      K   108_D    26.164     0    0.030   0.909    28.026    0.000    0.000
LGA    V   109_D      V   109_D    26.660     0    0.024   1.342    29.014    0.000    0.000
LGA    N   110_D      N   110_D    33.643     0    0.013   0.138    38.253    0.000    0.000
LGA    Q   111_D      Q   111_D    32.335     0    0.045   0.993    32.339    0.000    0.000
LGA    F   112_D      F   112_D    26.725     0    0.012   1.301    28.396    0.000    0.000
LGA    Y   113_D      Y   113_D    30.605     0    0.017   1.554    33.005    0.000    0.000
LGA    R   114_D      R   114_D    36.615     0    0.008   0.324    41.832    0.000    0.000
LGA    H   115_D      H   115_D    33.632     0    0.019   1.039    34.080    0.000    0.000
LGA    A   116_D      A   116_D    29.709     0    0.015   0.024    32.145    0.000    0.000
LGA    F   117_D      F   117_D    34.892     0    0.018   0.081    38.524    0.000    0.000
LGA    D   118_D      D   118_D    40.212     0    0.035   0.074    43.468    0.000    0.000
LGA    I   119_D      I   119_D    37.064     0    0.000   0.116    38.571    0.000    0.000
LGA    I   120_D      I   120_D    36.092     0    0.059   0.693    39.754    0.000    0.000
LGA    N   121_D      N   121_D    43.006     0    0.015   0.084    46.101    0.000    0.000
LGA    K   122_D      K   122_D    45.763     0    0.083   0.231    49.548    0.000    0.000
LGA    Y   123_D      Y   123_D    42.742     0    0.109   1.230    44.614    0.000    0.000
LGA    G   124_D      G   124_D    39.807     0    0.237   0.237    41.913    0.000    0.000
LGA    L   125_D      L   125_D    46.236     0    0.534   1.326    48.857    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):    16.254         16.282                 16.706           21.380   17.598

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     39    2.83    33.468    29.711     1.333

LGA_LOCAL      RMSD:   2.826  Number of atoms:   39  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  20.697  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  16.254  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.549708 * X  +  -0.223253 * Y  +   0.804972 * Z  +  -6.977380
  Y_new =   0.385762 * X  +   0.922567 * Y  +  -0.007566 * Z  + -37.350616
  Z_new =  -0.740951 * X  +   0.314687 * Y  +   0.593265 * Z  +  63.427937 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.611905  0.834486  0.487696   [DEG:   35.0596   47.8125   27.9429 ]
ZXZ:  1.561397  0.935687 -1.169174   [DEG:   89.4615   53.6109  -66.9888 ]
 
# END of job
