
#######################################################
#                                                     #
#                        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:    63       2_D - 64_D        4.73    24.84
  LCS_AVERAGE:     38.76

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    39      12_D - 50_D        1.98    24.67
  LCS_AVERAGE:     22.01

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      98_D - 123_D       0.82    21.04
  LONGEST_CONTINUOUS_SEGMENT:    26      99_D - 124_D       0.98    20.90
  LCS_AVERAGE:     13.18

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     19   24   63      9   16   19   25   31   34   41   46   49   53   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     K     3_D     K     3_D     19   24   63     12   16   20   25   31   38   43   49   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     E     4_D     E     4_D     19   24   63     12   16   23   30   35   41   48   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     I     5_D     I     5_D     19   24   63     12   16   20   29   34   41   47   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     A     6_D     A     6_D     19   24   63     12   16   20   29   34   41   48   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     K     7_D     K     7_D     19   24   63     12   16   22   30   37   42   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     E     8_D     E     8_D     19   24   63     12   16   22   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     I     9_D     I     9_D     19   24   63     12   17   23   30   37   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     F    10_D     F    10_D     19   24   63     12   16   21   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     N    11_D     N    11_D     19   24   63     12   16   21   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     M    12_D     M    12_D     19   39   63     12   16   21   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     M    13_D     M    13_D     19   39   63     12   16   21   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     F    14_D     F    14_D     19   39   63     12   16   20   30   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     M    15_D     M    15_D     19   39   63      6   16   24   30   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     L    16_D     L    16_D     19   39   63      6   16   24   30   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     L    17_D     L    17_D     19   39   63      7   16   24   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     W    18_D     W    18_D     19   39   63      7   16   24   29   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     R    19_D     R    19_D     19   39   63      7   16   24   29   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     V    20_D     V    20_D     19   39   63      5   12   24   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     F    21_D     F    21_D     17   39   63      4   12   24   30   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     R    22_D     R    22_D     14   39   63      4   12   24   30   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     S    23_D     S    23_D     14   39   63      4   12   24   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     Q    24_D     Q    24_D     14   39   63      4   12   24   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     R    25_D     R    25_D     14   39   63      3    9   20   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     I    26_D     I    26_D      3   39   63      3   13   22   30   33   36   44   49   53   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     D    27_D     D    27_D      3   39   63      3   11   23   30   37   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     A    28_D     A    28_D      3   39   63      3    3    4    5   10   25   37   39   47   51   54   58   59   59   60   60   60   60   60   60 
LCS_GDT     N    29_D     N    29_D      3   39   63      3    3    4   20   37   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     N    30_D     N    30_D     17   39   63      8   13   18   28   35   41   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     V    31_D     V    31_D     17   39   63      8   13   24   29   36   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     E    32_D     E    32_D     17   39   63      8   13   24   29   36   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     L    33_D     L    33_D     18   39   63      8   15   24   30   37   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     I    34_D     I    34_D     18   39   63      8   15   24   30   37   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     K    35_D     K    35_D     18   39   63      8   15   24   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     F    36_D     F    36_D     20   39   63      8   15   24   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     N    37_D     N    37_D     20   39   63      8   17   24   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     I    38_D     I    38_D     20   39   63      8   17   23   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     R    39_D     R    39_D     20   39   63      8   17   24   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     V    40_D     V    40_D     20   39   63      8   17   24   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     L    41_D     L    41_D     20   39   63     11   17   24   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     D    42_D     D    42_D     20   39   63     11   17   23   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     W    43_D     W    43_D     20   39   63     10   17   24   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     I    44_D     I    44_D     20   39   63      8   17   24   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     M    45_D     M    45_D     20   39   63     11   17   24   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     A    46_D     A    46_D     20   39   63     11   17   24   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     E    47_D     E    47_D     20   39   63     11   17   23   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     A    48_D     A    48_D     20   39   63     11   17   23   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     D    49_D     D    49_D     20   39   63     11   17   23   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     N    50_D     N    50_D     20   39   63     11   17   23   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     D    51_D     D    51_D     20   31   63      5   15   23   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     L    52_D     L    52_D     20   31   63      5    9   22   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     C    53_D     C    53_D     20   31   63      4   16   23   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     Y    54_D     Y    54_D     20   31   63     11   17   23   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     F    55_D     F    55_D     20   31   63     11   17   23   31   38   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     I    56_D     I    56_D     19   31   63      3    4   12   26   37   44   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     G    57_D     G    57_D      4   29   63      3    3    6   17   27   34   42   51   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     T    58_D     T    58_D      3   26   63      3    3   11   26   31   41   48   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     H    59_D     H    59_D      5    7   63      3    4    5    6    7    9   12   17   45   53   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     D    60_D     D    60_D      5    7   63      3    4   17   23   33   41   49   53   54   56   57   58   59   59   60   60   60   60   60   60 
LCS_GDT     K    61_D     K    61_D      5    7   63      3    4    5    7   10   14   21   26   29   35   41   47   52   56   60   60   60   60   60   60 
LCS_GDT     C    62_D     C    62_D      5    7   63      3    4    5    6    7    9   14   16   19   24   26   26   26   27   34   37   42   47   50   54 
LCS_GDT     E    63_D     E    63_D      5    7   63      3    4    5    7    8    9   10   14   15   19   20   25   26   27   28   37   39   42   44   48 
LCS_GDT     N    64_D     N    64_D      5   17   63      3    4    7   11   15   16   19   21   23   24   26   26   26   27   28   29   33   38   47   48 
LCS_GDT     P    65_D     P    65_D      4   17   24      3    4    7   12   15   17   19   21   23   24   26   26   26   27   28   29   34   38   43   52 
LCS_GDT     K    66_D     K    66_D     15   17   24      6   11   15   16   16   17   19   21   23   23   26   26   26   28   35   38   40   42   44   49 
LCS_GDT     E    67_D     E    67_D     15   17   24      6   12   15   16   16   17   19   21   23   24   26   26   27   31   35   38   40   42   44   48 
LCS_GDT     Q    68_D     Q    68_D     15   17   24      6   12   15   16   16   17   19   21   23   24   26   26   26   31   35   38   40   42   44   48 
LCS_GDT     W    69_D     W    69_D     15   17   24      6   12   15   16   16   17   19   21   23   24   26   26   26   31   35   38   40   42   44   48 
LCS_GDT     V    70_D     V    70_D     15   17   24      6   12   15   16   16   17   19   21   23   24   26   26   27   31   35   38   40   42   44   48 
LCS_GDT     A    71_D     A    71_D     15   17   24      6   10   15   16   16   17   19   21   23   24   26   26   26   31   35   38   40   42   44   48 
LCS_GDT     N    72_D     N    72_D     15   17   24      3   12   15   16   16   17   19   21   23   24   26   26   26   31   35   38   40   42   44   48 
LCS_GDT     Y    73_D     Y    73_D     15   17   24      4   12   15   16   16   17   19   21   23   24   26   26   26   31   35   38   40   42   44   48 
LCS_GDT     Q    74_D     Q    74_D     15   17   24      4   12   15   16   16   17   19   21   23   24   26   26   26   31   35   38   40   42   44   48 
LCS_GDT     N    75_D     N    75_D     15   17   24      4   12   15   16   16   17   19   21   23   24   26   26   26   27   28   36   40   42   44   48 
LCS_GDT     L    76_D     L    76_D     15   17   24      5   12   15   16   16   17   19   21   23   24   26   26   26   27   31   35   41   47   49   50 
LCS_GDT     N    77_D     N    77_D     15   17   24      5   12   15   16   16   17   19   21   23   24   26   26   27   34   41   45   46   47   49   52 
LCS_GDT     N    78_D     N    78_D     15   17   24      5   12   15   16   16   17   19   21   23   24   26   26   26   27   30   37   41   47   49   50 
LCS_GDT     V    79_D     V    79_D     15   17   24      5   12   15   16   16   17   19   21   23   24   26   26   26   27   28   29   39   47   49   50 
LCS_GDT     V    80_D     V    80_D     15   17   24      5    9   12   16   16   17   19   21   23   24   26   28   38   39   41   45   46   47   49   52 
LCS_GDT     F    81_D     F    81_D      4   17   28      3    3    4    4    8   14   19   21   23   29   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     T    82_D     T    82_D      4   17   30      3    3    4    5    7   14   19   20   24   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     N    83_D     N    83_D      4    4   30      3    3    4    5    7    9   15   20   26   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     K    84_D     K    84_D      4    4   30      3    3    4    5    7    9   14   20   26   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     E    85_D     E    85_D      3    4   30      3    3    4    4    4    5    7   11   18   22   25   31   38   39   41   45   46   47   49   52 
LCS_GDT     L    86_D     L    86_D      3    6   30      3    3    4    6    7   10   13   15   18   21   25   29   35   39   41   45   46   47   49   52 
LCS_GDT     E    87_D     E    87_D      3    6   30      3    3    5    7    7   11   13   16   18   20   24   26   28   33   41   45   46   47   49   52 
LCS_GDT     D    88_D     D    88_D      3    6   30      3    3    5    7    7   11   13   16   18   20   25   26   31   37   41   45   46   47   49   52 
LCS_GDT     I    89_D     I    89_D      3    6   37      3    3    5    7    7   11   13   16   18   21   25   30   38   39   41   45   46   47   49   52 
LCS_GDT     Y    90_D     Y    90_D      3    6   37      3    3    3    4    5   11   13   16   18   20   24   25   28   33   41   45   46   47   49   52 
LCS_GDT     D    91_D     D    91_D      4    6   37      4    4    4    4    5   11   13   15   18   20   24   25   28   34   41   45   46   47   49   52 
LCS_GDT     L    92_D     L    92_D      4    5   37      4    4    4    4    5    5    7    9   12   16   21   21   27   31   38   43   46   47   49   51 
LCS_GDT     S    93_D     S    93_D      4    5   37      4    4    4    4    4    5    7    8   10   16   21   21   27   34   41   45   46   47   49   52 
LCS_GDT     N    94_D     N    94_D      4    5   37      4    4    4    4    6   11   13   16   24   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     K    95_D     K    95_D      5   31   37      4    5    7    9   13   17   28   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     E    96_D     E    96_D      5   31   37      4    5    7    9   14   24   28   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     E    97_D     E    97_D     24   31   37      4    5    7   12   27   29   29   31   31   32   35   35   38   39   41   45   46   46   49   52 
LCS_GDT     T    98_D     T    98_D     26   31   37      9   17   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   46   49   52 
LCS_GDT     K    99_D     K    99_D     26   31   37      4   16   23   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     E   100_D     E   100_D     26   31   37      4   17   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   48   53   55 
LCS_GDT     V   101_D     V   101_D     26   31   37      4   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   50   53   55 
LCS_GDT     L   102_D     L   102_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     K   103_D     K   103_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     K   104_D     K   104_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   51   53   55 
LCS_GDT     F   105_D     F   105_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   50   55 
LCS_GDT     K   106_D     K   106_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     E   107_D     E   107_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     K   108_D     K   108_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     V   109_D     V   109_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     N   110_D     N   110_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     Q   111_D     Q   111_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     F   112_D     F   112_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     Y   113_D     Y   113_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     R   114_D     R   114_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     H   115_D     H   115_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     A   116_D     A   116_D     26   31   37      9   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     F   117_D     F   117_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     D   118_D     D   118_D     26   31   37     10   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     I   119_D     I   119_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   40   45   46   47   49   52 
LCS_GDT     I   120_D     I   120_D     26   31   37     14   22   25   26   27   29   29   31   31   32   35   35   38   39   40   45   46   47   49   52 
LCS_GDT     N   121_D     N   121_D     26   31   37      7   22   25   26   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     K   122_D     K   122_D     26   31   37      8   21   25   26   27   29   29   31   31   31   35   35   38   39   40   45   46   47   49   51 
LCS_GDT     Y   123_D     Y   123_D     26   31   37     10   22   25   26   27   29   29   31   31   31   34   35   35   36   40   40   45   46   49   51 
LCS_GDT     G   124_D     G   124_D     26   31   37      3    4    5   14   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_GDT     L   125_D     L   125_D      5   31   37      3    3   15   22   27   29   29   31   31   32   35   35   38   39   41   45   46   47   49   52 
LCS_AVERAGE  LCS_A:  24.65  (  13.18   22.01   38.76 )

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     14     22     25     31     38     44     49     53     54     56     57     58     59     59     60     60     60     60     60     60 
GDT PERCENT_AT  11.29  17.74  20.16  25.00  30.65  35.48  39.52  42.74  43.55  45.16  45.97  46.77  47.58  47.58  48.39  48.39  48.39  48.39  48.39  48.39
GDT RMS_LOCAL    0.28   0.54   0.73   1.36   1.59   1.91   2.16   2.43   2.49   2.65   2.75   2.89   3.02   3.02   3.18   3.18   3.18   3.18   3.18   3.18
GDT RMS_ALL_AT  20.79  21.12  21.09  24.45  24.62  24.85  25.04  25.16  25.16  25.18  25.20  25.33  25.40  25.40  25.42  25.42  25.42  25.42  25.42  25.42

# Checking swapping
#   possible swapping detected:  F    10_D      F    10_D
#   possible swapping detected:  F    14_D      F    14_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    85_D      E    85_D
#   possible swapping detected:  D    91_D      D    91_D
#   possible swapping detected:  E    97_D      E    97_D
#   possible swapping detected:  F   105_D      F   105_D
#   possible swapping detected:  Y   113_D      Y   113_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     6.534     0    0.612   1.116     6.967   18.571   21.429
LGA    K     3_D      K     3_D     5.519     0    0.078   0.808     6.003   27.857   25.397
LGA    E     4_D      E     4_D     4.228     0    0.032   0.541     6.528   40.476   33.492
LGA    I     5_D      I     5_D     4.174     0    0.018   1.116     7.239   41.905   34.524
LGA    A     6_D      A     6_D     3.989     0    0.032   0.042     4.422   45.119   43.524
LGA    K     7_D      K     7_D     2.703     0    0.036   1.001     6.099   63.214   47.196
LGA    E     8_D      E     8_D     1.570     0    0.069   1.316     5.832   75.119   55.397
LGA    I     9_D      I     9_D     2.058     0    0.022   0.128     3.856   70.952   61.429
LGA    F    10_D      F    10_D     1.438     0    0.037   1.355     9.665   83.810   44.719
LGA    N    11_D      N    11_D     0.492     0    0.030   0.865     4.092   92.976   76.190
LGA    M    12_D      M    12_D     1.343     0    0.030   0.843     2.993   81.548   71.310
LGA    M    13_D      M    13_D     0.640     0    0.016   0.961     3.772   85.952   84.702
LGA    F    14_D      F    14_D     1.982     0    0.127   1.249     4.250   69.048   59.437
LGA    M    15_D      M    15_D     3.236     0    0.054   1.261     8.700   53.690   37.143
LGA    L    16_D      L    16_D     2.310     0    0.061   1.209     4.709   62.857   52.798
LGA    L    17_D      L    17_D     1.659     0    0.040   0.782     2.704   70.833   69.881
LGA    W    18_D      W    18_D     3.162     0    0.044   1.663     9.762   51.786   24.286
LGA    R    19_D      R    19_D     3.361     0    0.037   1.404     7.566   51.786   36.537
LGA    V    20_D      V    20_D     1.284     0    0.059   1.154     3.114   79.524   73.673
LGA    F    21_D      F    21_D     1.705     0    0.029   1.038     6.374   75.000   49.784
LGA    R    22_D      R    22_D     2.397     0    0.135   1.128     8.956   64.881   43.939
LGA    S    23_D      S    23_D     1.072     0    0.202   0.201     2.029   85.952   80.238
LGA    Q    24_D      Q    24_D     1.178     0    0.576   1.071     3.941   73.571   63.280
LGA    R    25_D      R    25_D     1.296     0    0.280   1.209    13.237   65.595   31.775
LGA    I    26_D      I    26_D     5.840     0    0.573   1.658    11.241   24.048   13.690
LGA    D    27_D      D    27_D     4.021     0    0.636   0.513     6.147   29.405   38.869
LGA    A    28_D      A    28_D     7.625     0    0.622   0.588    10.075   19.524   15.619
LGA    N    29_D      N    29_D     2.497     0    0.162   0.813     5.718   61.905   49.643
LGA    N    30_D      N    30_D     4.083     0    0.480   1.245     6.804   43.452   35.952
LGA    V    31_D      V    31_D     3.612     0    0.039   0.160     4.455   48.452   44.490
LGA    E    32_D      E    32_D     3.397     0    0.112   0.959     4.130   53.810   50.317
LGA    L    33_D      L    33_D     2.741     0    0.036   0.101     3.540   61.190   54.762
LGA    I    34_D      I    34_D     2.108     0    0.024   1.178     4.348   70.952   66.548
LGA    K    35_D      K    35_D     1.073     0    0.032   0.718     5.096   81.429   61.270
LGA    F    36_D      F    36_D     1.321     0    0.045   1.291     6.089   81.429   58.831
LGA    N    37_D      N    37_D     1.101     0    0.050   1.066     2.810   81.429   76.310
LGA    I    38_D      I    38_D     1.646     0    0.054   0.624     3.813   75.000   66.310
LGA    R    39_D      R    39_D     1.442     0    0.083   0.888     3.244   77.143   74.675
LGA    V    40_D      V    40_D     1.084     0    0.038   1.216     3.116   81.429   75.714
LGA    L    41_D      L    41_D     1.597     0    0.038   1.008     2.641   72.976   68.929
LGA    D    42_D      D    42_D     2.679     0    0.046   0.548     4.206   59.048   50.476
LGA    W    43_D      W    43_D     2.062     0    0.029   1.056     7.907   68.810   41.224
LGA    I    44_D      I    44_D     1.059     0    0.055   1.258     3.322   79.286   71.429
LGA    M    45_D      M    45_D     1.848     0    0.080   1.223     5.157   72.857   65.000
LGA    A    46_D      A    46_D     2.417     0    0.046   0.048     2.686   64.762   63.238
LGA    E    47_D      E    47_D     1.709     0    0.049   1.170     6.015   77.143   59.577
LGA    A    48_D      A    48_D     0.469     0    0.047   0.058     0.956   92.857   92.381
LGA    D    49_D      D    49_D     2.009     0    0.061   0.351     3.159   68.929   62.143
LGA    N    50_D      N    50_D     2.616     0    0.039   0.928     4.578   62.857   51.667
LGA    D    51_D      D    51_D     1.993     0    0.056   1.024     2.665   75.000   72.024
LGA    L    52_D      L    52_D     1.417     0    0.047   1.193     5.441   81.429   63.750
LGA    C    53_D      C    53_D     2.507     0    0.032   0.196     3.409   62.976   58.651
LGA    Y    54_D      Y    54_D     2.834     0    0.063   0.206     5.058   57.262   46.706
LGA    F    55_D      F    55_D     1.972     0    0.507   0.625     2.086   72.976   75.238
LGA    I    56_D      I    56_D     3.200     0    0.529   0.479     4.546   57.500   50.595
LGA    G    57_D      G    57_D     4.581     0    0.559   0.559     4.829   35.833   35.833
LGA    T    58_D      T    58_D     3.837     0    0.276   1.172     6.400   32.976   33.265
LGA    H    59_D      H    59_D     7.682     0    0.151   0.149    12.682   10.595    4.238
LGA    D    60_D      D    60_D     3.545     0    0.055   1.136     7.260   27.976   48.393
LGA    K    61_D      K    61_D     8.249     0    0.243   1.189    12.773    5.476    6.138
LGA    C    62_D      C    62_D    13.684     0    0.126   0.704    14.740    0.000    0.000
LGA    E    63_D      E    63_D    17.780     0    0.594   1.247    20.737    0.000    0.000
LGA    N    64_D      N    64_D    19.732     0    0.118   1.252    22.577    0.000    0.000
LGA    P    65_D      P    65_D    20.753     0    0.659   0.665    24.386    0.000    0.000
LGA    K    66_D      K    66_D    21.716     0    0.559   1.375    25.493    0.000    0.000
LGA    E    67_D      E    67_D    26.197     0    0.060   1.296    27.920    0.000    0.000
LGA    Q    68_D      Q    68_D    23.970     0    0.061   1.418    27.860    0.000    0.000
LGA    W    69_D      W    69_D    22.150     0    0.027   0.787    24.733    0.000    0.000
LGA    V    70_D      V    70_D    27.680     0    0.061   1.003    30.493    0.000    0.000
LGA    A    71_D      A    71_D    29.208     0    0.649   0.623    29.226    0.000    0.000
LGA    N    72_D      N    72_D    25.742     0    0.066   0.567    27.134    0.000    0.000
LGA    Y    73_D      Y    73_D    28.716     0    0.056   1.086    37.188    0.000    0.000
LGA    Q    74_D      Q    74_D    34.049     0    0.057   1.435    37.814    0.000    0.000
LGA    N    75_D      N    75_D    32.390     0    0.054   0.122    33.787    0.000    0.000
LGA    L    76_D      L    76_D    29.803     0    0.045   1.088    32.390    0.000    0.000
LGA    N    77_D      N    77_D    35.617     0    0.069   1.039    40.500    0.000    0.000
LGA    N    78_D      N    78_D    38.870     0    0.039   0.159    42.628    0.000    0.000
LGA    V    79_D      V    79_D    34.733     0    0.162   1.251    35.696    0.000    0.000
LGA    V    80_D      V    80_D    35.473     0    0.640   0.793    38.163    0.000    0.000
LGA    F    81_D      F    81_D    37.965     0    0.139   0.318    41.846    0.000    0.000
LGA    T    82_D      T    82_D    44.352     0    0.681   1.068    45.651    0.000    0.000
LGA    N    83_D      N    83_D    45.947     0    0.282   1.150    51.470    0.000    0.000
LGA    K    84_D      K    84_D    47.468     0    0.602   0.500    52.424    0.000    0.000
LGA    E    85_D      E    85_D    43.523     0    0.583   1.065    48.394    0.000    0.000
LGA    L    86_D      L    86_D    39.254     0    0.635   1.018    40.817    0.000    0.000
LGA    E    87_D      E    87_D    43.261     0    0.609   1.438    49.756    0.000    0.000
LGA    D    88_D      D    88_D    41.769     0    0.357   0.392    46.771    0.000    0.000
LGA    I    89_D      I    89_D    34.933     0    0.276   1.372    37.561    0.000    0.000
LGA    Y    90_D      Y    90_D    36.265     0    0.598   1.361    39.321    0.000    0.000
LGA    D    91_D      D    91_D    41.084     0    0.640   0.616    42.544    0.000    0.000
LGA    L    92_D      L    92_D    39.975     0    0.047   1.484    43.423    0.000    0.000
LGA    S    93_D      S    93_D    34.921     0    0.437   0.673    36.843    0.000    0.000
LGA    N    94_D      N    94_D    34.914     0    0.254   0.924    36.951    0.000    0.000
LGA    K    95_D      K    95_D    34.738     0    0.642   0.508    35.073    0.000    0.000
LGA    E    96_D      E    96_D    33.830     0    0.021   1.277    37.428    0.000    0.000
LGA    E    97_D      E    97_D    27.035     0    0.047   0.608    29.337    0.000    0.000
LGA    T    98_D      T    98_D    27.250     0    0.184   0.990    29.525    0.000    0.000
LGA    K    99_D      K    99_D    32.601     0    0.099   0.890    41.317    0.000    0.000
LGA    E   100_D      E   100_D    28.826     0    0.041   1.221    29.822    0.000    0.000
LGA    V   101_D      V   101_D    23.484     0    0.035   0.890    25.306    0.000    0.000
LGA    L   102_D      L   102_D    28.797     0    0.042   1.396    31.846    0.000    0.000
LGA    K   103_D      K   103_D    32.316     0    0.054   0.921    38.453    0.000    0.000
LGA    K   104_D      K   104_D    26.669     0    0.044   0.881    28.313    0.000    0.000
LGA    F   105_D      F   105_D    25.221     0    0.022   1.435    27.606    0.000    0.000
LGA    K   106_D      K   106_D    32.382     0    0.051   1.043    42.111    0.000    0.000
LGA    E   107_D      E   107_D    33.046     0    0.032   0.846    34.481    0.000    0.000
LGA    K   108_D      K   108_D    27.184     0    0.043   0.990    28.841    0.000    0.000
LGA    V   109_D      V   109_D    29.425     0    0.032   0.121    32.017    0.000    0.000
LGA    N   110_D      N   110_D    36.131     0    0.046   0.582    40.400    0.000    0.000
LGA    Q   111_D      Q   111_D    33.959     0    0.021   0.564    34.080    0.000    0.000
LGA    F   112_D      F   112_D    29.382     0    0.032   1.147    31.566    0.000    0.000
LGA    Y   113_D      Y   113_D    34.718     0    0.046   0.439    37.253    0.000    0.000
LGA    R   114_D      R   114_D    39.586     0    0.058   0.497    43.783    0.000    0.000
LGA    H   115_D      H   115_D    35.241     0    0.031   1.145    36.205    0.000    0.000
LGA    A   116_D      A   116_D    33.725     0    0.043   0.062    36.809    0.000    0.000
LGA    F   117_D      F   117_D    40.529     0    0.083   0.539    43.282    0.000    0.000
LGA    D   118_D      D   118_D    42.772     0    0.037   1.106    44.759    0.000    0.000
LGA    I   119_D      I   119_D    38.799     0    0.025   0.673    40.974    0.000    0.000
LGA    I   120_D      I   120_D    41.321     0    0.049   1.093    45.138    0.000    0.000
LGA    N   121_D      N   121_D    48.069     0    0.046   1.004    51.214    0.000    0.000
LGA    K   122_D      K   122_D    47.918     0    0.036   0.654    49.996    0.000    0.000
LGA    Y   123_D      Y   123_D    45.244     0    0.647   1.227    45.655    0.000    0.000
LGA    G   124_D      G   124_D    45.714     0    0.247   0.247    47.544    0.000    0.000
LGA    L   125_D      L   125_D    51.230     0    0.271   1.526    54.355    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):    14.841         14.851                 15.635           29.533   25.209

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     53    2.43    33.468    32.292     2.092

LGA_LOCAL      RMSD:   2.433  Number of atoms:   53  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  25.156  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  14.841  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.071021 * X  +  -0.832912 * Y  +   0.548830 * Z  + -18.482939
  Y_new =  -0.048748 * X  +  -0.546663 * Y  +  -0.835932 * Z  + -41.472977
  Z_new =   0.996283 * X  +  -0.086124 * Y  +  -0.001778 * Z  +  96.012756 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.540059 -1.484547 -1.591442   [DEG: -145.5347  -85.0583  -91.1829 ]
ZXZ:  0.580965  1.572575  1.657027   [DEG:   33.2868   90.1019   94.9406 ]
 
# END of job
