
#######################################################
#                                                     #
#                        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  126 ( 1076),  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:    65       2_D - 66_D        4.95    25.29
  LCS_AVERAGE:     45.97

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    59       2_D - 60_D        1.99    26.39
  LCS_AVERAGE:     31.37

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      95_D - 125_D       0.98    21.14
  LCS_AVERAGE:     16.15

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  124
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     D     2_D     D     2_D     24   59   65      4   23   38   44   50   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     K     3_D     K     3_D     24   59   65      8   24   38   45   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     E     4_D     E     4_D     24   59   65     15   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     I     5_D     I     5_D     24   59   65     15   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     A     6_D     A     6_D     24   59   65     15   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     K     7_D     K     7_D     24   59   65     15   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     E     8_D     E     8_D     24   59   65     15   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     I     9_D     I     9_D     24   59   65     15   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     F    10_D     F    10_D     24   59   65     15   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     N    11_D     N    11_D     24   59   65     15   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     M    12_D     M    12_D     24   59   65     15   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     M    13_D     M    13_D     24   59   65     15   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     F    14_D     F    14_D     24   59   65     15   25   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     M    15_D     M    15_D     24   59   65     15   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     L    16_D     L    16_D     24   59   65     15   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     L    17_D     L    17_D     24   59   65      7   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     W    18_D     W    18_D     24   59   65      7   23   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     R    19_D     R    19_D     24   59   65     10   24   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     V    20_D     V    20_D     24   59   65     11   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     F    21_D     F    21_D     24   59   65     14   25   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     R    22_D     R    22_D     24   59   65     15   24   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     S    23_D     S    23_D     24   59   65      4   24   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     Q    24_D     Q    24_D     24   59   65     11   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     R    25_D     R    25_D     24   59   65     10   21   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     I    26_D     I    26_D     16   59   65      3    3   10   43   49   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     D    27_D     D    27_D     16   59   65      4   16   35   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     A    28_D     A    28_D      5   59   65      4    4    5    7    9   19   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     N    29_D     N    29_D      5   59   65     15   21   29   34   44   52   56   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     N    30_D     N    30_D     23   59   65      7   12   16   31   46   53   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     V    31_D     V    31_D     25   59   65      8   15   34   45   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     E    32_D     E    32_D     25   59   65      8   21   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     L    33_D     L    33_D     25   59   65      8   18   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     I    34_D     I    34_D     25   59   65      8   23   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     K    35_D     K    35_D     25   59   65      9   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     F    36_D     F    36_D     25   59   65     13   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     N    37_D     N    37_D     25   59   65     14   24   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     I    38_D     I    38_D     25   59   65     14   25   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     R    39_D     R    39_D     25   59   65     14   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     V    40_D     V    40_D     25   59   65     14   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     L    41_D     L    41_D     25   59   65     14   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     D    42_D     D    42_D     25   59   65     14   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     W    43_D     W    43_D     25   59   65     14   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     I    44_D     I    44_D     25   59   65     14   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     M    45_D     M    45_D     25   59   65     14   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     A    46_D     A    46_D     25   59   65     14   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     E    47_D     E    47_D     25   59   65     14   26   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     A    48_D     A    48_D     25   59   65     14   24   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     D    49_D     D    49_D     25   59   65     14   24   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     N    50_D     N    50_D     25   59   65     13   24   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     D    51_D     D    51_D     25   59   65     14   24   38   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     L    52_D     L    52_D     25   59   65      9   21   35   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     C    53_D     C    53_D     25   59   65      9   21   35   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     Y    54_D     Y    54_D     25   59   65      9   21   35   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     F    55_D     F    55_D     25   59   65      9   21   31   46   50   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     I    56_D     I    56_D     25   59   65      3    8   27   39   50   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     G    57_D     G    57_D      4   59   65      3    4   21   45   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     T    58_D     T    58_D      4   59   65      3    4   21   45   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     H    59_D     H    59_D      4   59   65      3    4    6   19   24   29   45   48   54   59   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     D    60_D     D    60_D      4   59   65      3    4    6   14   42   52   56   57   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     K    61_D     K    61_D      4   32   65      3   23   35   46   51   55   57   58   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     C    62_D     C    62_D      4    5   65      3    5   11   20   39   48   53   56   59   60   60   60   61   61   61   61   61   61   62   62 
LCS_GDT     E    63_D     E    63_D      4    5   65      3    4    5   12   15   22   32   41   48   56   59   59   60   61   61   61   61   61   62   62 
LCS_GDT     N    64_D     N    64_D      4    5   65      3    3    4    5    7    9   12   14   16   24   31   36   49   53   54   57   58   61   61   61 
LCS_GDT     P    65_D     P    65_D      4    5   65      3    3    4    5    6    8    9   12   14   17   22   24   30   34   38   48   53   58   58   60 
LCS_GDT     K    66_D     K    66_D      4    5   65      3    3    4    5    6    8   10   12   15   20   22   24   27   31   33   37   40   43   46   52 
LCS_GDT     E    67_D     E    67_D      3    4   20      0    3    3    4    6    9   10   11   15   17   22   24   26   29   33   37   40   43   45   47 
LCS_GDT     Q    68_D     Q    68_D      3    4   20      0    3    3    4    5    7   10   12   14   16   19   23   23   28   33   37   40   43   45   47 
LCS_GDT     W    69_D     W    69_D     10   14   20      2    4   10   12   13   14   14   15   17   20   25   28   30   32   34   37   40   43   45   49 
LCS_GDT     V    70_D     V    70_D     11   14   20      4    9   11   12   13   14   14   16   19   23   25   28   30   32   34   37   40   43   47   52 
LCS_GDT     A    71_D     A    71_D     11   14   20      3    7   11   12   13   14   14   16   19   23   25   28   30   32   34   37   40   43   45   49 
LCS_GDT     N    72_D     N    72_D     11   14   20      6    9   11   12   13   14   14   16   19   23   25   28   30   32   34   37   40   43   46   53 
LCS_GDT     Y    73_D     Y    73_D     11   14   20      8    9   11   12   13   14   14   16   19   23   25   28   31   38   41   44   47   50   52   56 
LCS_GDT     Q    74_D     Q    74_D     11   14   52      8    9   11   12   13   14   14   16   19   23   25   28   31   38   41   44   47   50   52   56 
LCS_GDT     N    75_D     N    75_D     11   14   52      8    9   11   12   13   14   14   16   19   23   25   28   30   32   36   41   46   50   52   54 
LCS_GDT     L    76_D     L    76_D     11   14   52      8    9   11   12   13   14   14   15   16   20   27   33   40   45   47   51   53   54   55   56 
LCS_GDT     N    77_D     N    77_D     11   14   52      8    9   11   12   13   14   14   23   30   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     N    78_D     N    78_D     11   14   52      8    9   11   12   13   14   14   15   16   20   30   41   45   46   48   51   53   54   55   56 
LCS_GDT     V    79_D     V    79_D     11   14   52      8    9   11   12   13   14   14   15   16   18   20   28   35   38   42   51   53   54   55   56 
LCS_GDT     V    80_D     V    80_D     11   14   52      8    9   11   12   13   14   29   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     F    81_D     F    81_D      4   14   52      3    4    5   11   25   32   34   35   35   38   39   42   44   46   48   51   53   54   55   56 
LCS_GDT     T    82_D     T    82_D      4   14   52      3    4    6   11   12   29   34   35   36   38   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     N    83_D     N    83_D      4    4   52      3    8   17   28   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     K    84_D     K    84_D      4    4   52      3    4   17   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     E    85_D     E    85_D      3    4   52      3    4    4    5   10   16   22   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     L    86_D     L    86_D      4    6   52      3    4    6    9   12   14   16   21   27   35   40   44   45   46   49   51   53   54   55   56 
LCS_GDT     E    87_D     E    87_D      4    6   52      3    4    5    7   11   14   16   18   24   30   37   42   44   46   49   51   53   54   55   56 
LCS_GDT     D    88_D     D    88_D      4    6   52      3    3    6    9   12   14   19   24   31   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     I    89_D     I    89_D      4    6   52      3    3    6    9   18   30   33   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     Y    90_D     Y    90_D      3    6   52      3    3    3    6   12   14   16   24   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     D    91_D     D    91_D      4    6   52      4    4    4    6   12   14   18   23   28   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     L    92_D     L    92_D      4    5   52      4    4    4    4    6    6   11   18   25   37   39   44   45   46   49   51   53   54   55   56 
LCS_GDT     S    93_D     S    93_D      4    5   52      4    4    4    4    5    9   12   23   29   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     N    94_D     N    94_D      4   32   52      4    4    4    8   12   15   29   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     K    95_D     K    95_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     E    96_D     E    96_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     E    97_D     E    97_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     T    98_D     T    98_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     K    99_D     K    99_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     E   100_D     E   100_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     V   101_D     V   101_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     L   102_D     L   102_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     K   103_D     K   103_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     K   104_D     K   104_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     F   105_D     F   105_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     K   106_D     K   106_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     E   107_D     E   107_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     K   108_D     K   108_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     V   109_D     V   109_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     N   110_D     N   110_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     Q   111_D     Q   111_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     F   112_D     F   112_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     Y   113_D     Y   113_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     R   114_D     R   114_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     H   115_D     H   115_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     A   116_D     A   116_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     F   117_D     F   117_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     D   118_D     D   118_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     I   119_D     I   119_D     31   32   52     24   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     I   120_D     I   120_D     31   32   52     10   27   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     N   121_D     N   121_D     31   32   52      7   27   29   30   32   32   34   35   36   38   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     K   122_D     K   122_D     31   32   52      4   24   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     Y   123_D     Y   123_D     31   32   52      4   21   29   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     G   124_D     G   124_D     31   32   52      3    3    3   30   32   32   34   35   36   40   42   44   45   46   49   51   53   54   55   56 
LCS_GDT     L   125_D     L   125_D     31   32   52      3    3    8   24   28   32   34   35   35   38   39   41   43   46   48   51   52   54   55   56 
LCS_AVERAGE  LCS_A:  31.17  (  16.15   31.37   45.97 )

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     24     27     38     46     51     55     57     58     59     60     60     60     61     61     61     61     61     61     62     62 
GDT PERCENT_AT  19.35  21.77  30.65  37.10  41.13  44.35  45.97  46.77  47.58  48.39  48.39  48.39  49.19  49.19  49.19  49.19  49.19  49.19  50.00  50.00
GDT RMS_LOCAL    0.28   0.44   0.95   1.24   1.42   1.57   1.71   1.78   1.85   2.01   2.02   2.01   2.19   2.19   2.19   2.19   2.19   2.19   2.66   2.66
GDT RMS_ALL_AT  20.84  20.99  26.67  26.35  26.35  26.35  26.34  26.28  26.28  26.18  26.35  26.18  26.25  26.25  26.25  26.25  26.25  26.25  26.05  26.05

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  F    14_D      F    14_D
#   possible swapping detected:  F    21_D      F    21_D
#   possible swapping detected:  E    63_D      E    63_D
#   possible swapping detected:  E    85_D      E    85_D
#   possible swapping detected:  E    87_D      E    87_D
#   possible swapping detected:  Y    90_D      Y    90_D
#   possible swapping detected:  D    91_D      D    91_D
#   possible swapping detected:  E    96_D      E    96_D
#   possible swapping detected:  E    97_D      E    97_D
#   possible swapping detected:  E   100_D      E   100_D
#   possible swapping detected:  F   105_D      F   105_D
#   possible swapping detected:  E   107_D      E   107_D
#   possible swapping detected:  Y   123_D      Y   123_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D     2.511     0    0.270   0.399     2.981   59.048   61.964
LGA    K     3_D      K     3_D     2.015     0    0.043   0.433     2.313   70.952   71.111
LGA    E     4_D      E     4_D     1.142     0    0.066   0.261     1.800   81.429   80.476
LGA    I     5_D      I     5_D     0.967     0    0.015   0.088     1.003   88.214   89.345
LGA    A     6_D      A     6_D     0.971     0    0.015   0.027     0.995   90.476   90.476
LGA    K     7_D      K     7_D     1.151     0    0.047   0.657     4.083   83.690   65.556
LGA    E     8_D      E     8_D     0.859     0    0.045   0.145     1.715   90.595   84.603
LGA    I     9_D      I     9_D     0.565     0    0.014   0.094     0.690   90.476   94.048
LGA    F    10_D      F    10_D     0.858     0    0.070   1.339     6.604   90.476   62.078
LGA    N    11_D      N    11_D     0.818     0    0.027   0.875     2.884   92.857   82.083
LGA    M    12_D      M    12_D     0.218     0    0.034   1.131     4.692  100.000   85.179
LGA    M    13_D      M    13_D     0.508     0    0.000   0.857     2.296   92.857   84.048
LGA    F    14_D      F    14_D     1.112     0    0.134   1.149     6.452   85.952   56.753
LGA    M    15_D      M    15_D     0.578     0    0.018   0.572     1.735   90.476   88.274
LGA    L    16_D      L    16_D     0.500     0    0.060   0.064     0.601   92.857   96.429
LGA    L    17_D      L    17_D     0.895     0    0.011   1.324     4.258   85.952   72.083
LGA    W    18_D      W    18_D     1.885     0    0.059   1.554     5.705   72.976   47.313
LGA    R    19_D      R    19_D     1.882     0    0.044   1.356     5.158   70.833   61.645
LGA    V    20_D      V    20_D     0.971     0    0.036   0.133     1.206   83.690   87.959
LGA    F    21_D      F    21_D     1.297     0    0.032   0.485     2.737   77.143   73.074
LGA    R    22_D      R    22_D     1.931     0    0.061   0.843     8.636   72.857   41.645
LGA    S    23_D      S    23_D     1.764     0    0.094   0.586     2.476   77.143   73.016
LGA    Q    24_D      Q    24_D     0.929     0    0.226   1.068     4.260   88.214   72.381
LGA    R    25_D      R    25_D     1.395     0    0.288   1.174    11.318   71.429   39.524
LGA    I    26_D      I    26_D     3.092     0    0.086   0.168     6.149   57.262   41.369
LGA    D    27_D      D    27_D     1.825     0    0.320   0.938     4.099   68.810   62.440
LGA    A    28_D      A    28_D     4.112     0    0.701   0.635     6.026   35.357   31.714
LGA    N    29_D      N    29_D     4.014     0    0.191   0.989     8.751   37.976   25.119
LGA    N    30_D      N    30_D     3.495     0    0.375   0.498     7.136   57.262   39.345
LGA    V    31_D      V    31_D     2.279     0    0.071   0.920     4.583   66.905   59.048
LGA    E    32_D      E    32_D     1.430     0    0.041   0.826     3.455   79.286   67.302
LGA    L    33_D      L    33_D     1.503     0    0.028   1.422     5.685   79.286   60.000
LGA    I    34_D      I    34_D     1.387     0    0.069   0.681     1.953   81.429   78.214
LGA    K    35_D      K    35_D     1.362     0    0.012   0.583     2.625   81.429   72.275
LGA    F    36_D      F    36_D     1.353     0    0.053   0.118     1.410   81.429   81.429
LGA    N    37_D      N    37_D     1.518     0    0.031   0.517     2.446   75.000   72.917
LGA    I    38_D      I    38_D     1.479     0    0.027   0.663     2.948   77.143   75.179
LGA    R    39_D      R    39_D     1.456     0    0.049   0.919     4.160   81.429   69.827
LGA    V    40_D      V    40_D     1.331     0    0.033   0.055     1.373   81.429   81.429
LGA    L    41_D      L    41_D     1.372     0    0.024   0.482     2.819   81.429   77.381
LGA    D    42_D      D    42_D     1.256     0    0.012   0.274     2.052   81.429   78.274
LGA    W    43_D      W    43_D     1.099     0    0.014   1.247     7.988   85.952   48.401
LGA    I    44_D      I    44_D     0.874     0    0.009   0.053     1.018   90.476   89.345
LGA    M    45_D      M    45_D     0.993     0    0.025   0.590     2.178   90.476   81.786
LGA    A    46_D      A    46_D     0.882     0    0.016   0.021     0.968   90.476   90.476
LGA    E    47_D      E    47_D     0.618     0    0.054   0.997     4.953   95.238   74.868
LGA    A    48_D      A    48_D     0.730     0    0.023   0.029     1.107   88.214   88.667
LGA    D    49_D      D    49_D     1.195     0    0.022   0.150     2.158   83.690   79.405
LGA    N    50_D      N    50_D     1.025     0    0.050   0.159     1.627   81.548   86.071
LGA    D    51_D      D    51_D     1.089     0    0.012   0.058     1.630   79.286   87.262
LGA    L    52_D      L    52_D     1.822     0    0.013   0.125     2.353   70.952   70.893
LGA    C    53_D      C    53_D     2.321     0    0.055   0.699     4.751   64.762   59.206
LGA    Y    54_D      Y    54_D     2.331     0    0.032   1.226     8.438   60.952   41.151
LGA    F    55_D      F    55_D     2.990     0    0.497   1.513    11.149   59.048   28.009
LGA    I    56_D      I    56_D     2.893     0    0.394   1.144     7.174   59.167   47.024
LGA    G    57_D      G    57_D     2.605     0    0.526   0.526     2.617   59.048   59.048
LGA    T    58_D      T    58_D     2.636     0    0.636   0.587     3.566   51.905   54.218
LGA    H    59_D      H    59_D     6.948     0    0.319   1.316     9.490   19.405    9.381
LGA    D    60_D      D    60_D     4.198     0    0.427   1.241     5.984   43.929   37.143
LGA    K    61_D      K    61_D     2.471     0    0.599   1.254     6.781   63.095   49.048
LGA    C    62_D      C    62_D     6.701     0    0.542   0.894    10.036   10.595   16.667
LGA    E    63_D      E    63_D    12.683     0    0.541   1.091    15.302    0.000    0.000
LGA    N    64_D      N    64_D    18.215     0    0.310   0.769    22.222    0.000    0.000
LGA    P    65_D      P    65_D    20.540     0    0.729   0.621    24.094    0.000    0.000
LGA    K    66_D      K    66_D    26.470     0    0.227   1.312    31.458    0.000    0.000
LGA    E    67_D      E    67_D    31.533     0    0.159   0.967    34.627    0.000    0.000
LGA    Q    68_D      Q    68_D    32.048     0    0.595   1.324    37.629    0.000    0.000
LGA    W    69_D      W    69_D    30.362     0    0.606   0.877    33.604    0.000    0.000
LGA    V    70_D      V    70_D    35.717     0    0.049   0.049    39.912    0.000    0.000
LGA    A    71_D      A    71_D    37.618     0    0.044   0.045    37.847    0.000    0.000
LGA    N    72_D      N    72_D    32.623     0    0.199   0.206    33.844    0.000    0.000
LGA    Y    73_D      Y    73_D    33.380     0    0.057   1.124    36.571    0.000    0.000
LGA    Q    74_D      Q    74_D    39.749     0    0.037   1.008    47.549    0.000    0.000
LGA    N    75_D      N    75_D    38.015     0    0.071   0.173    40.348    0.000    0.000
LGA    L    76_D      L    76_D    33.754     0    0.014   0.545    35.603    0.000    0.000
LGA    N    77_D      N    77_D    39.174     0    0.011   0.897    43.953    0.000    0.000
LGA    N    78_D      N    78_D    42.251     0    0.040   0.092    46.775    0.000    0.000
LGA    V    79_D      V    79_D    37.100     0    0.103   0.918    38.488    0.000    0.000
LGA    V    80_D      V    80_D    36.453     0    0.621   0.581    39.601    0.000    0.000
LGA    F    81_D      F    81_D    39.388     0    0.578   1.223    43.315    0.000    0.000
LGA    T    82_D      T    82_D    46.169     0    0.640   0.532    47.687    0.000    0.000
LGA    N    83_D      N    83_D    48.193     0    0.262   0.848    52.183    0.000    0.000
LGA    K    84_D      K    84_D    50.950     0    0.586   0.996    55.843    0.000    0.000
LGA    E    85_D      E    85_D    47.027     0    0.598   0.706    48.701    0.000    0.000
LGA    L    86_D      L    86_D    43.085     0    0.621   1.228    44.436    0.000    0.000
LGA    E    87_D      E    87_D    47.593     0    0.614   0.900    55.003    0.000    0.000
LGA    D    88_D      D    88_D    46.728     0    0.401   0.395    51.938    0.000    0.000
LGA    I    89_D      I    89_D    39.710     0    0.158   1.058    42.304    0.000    0.000
LGA    Y    90_D      Y    90_D    39.879     0    0.561   1.334    42.975    0.000    0.000
LGA    D    91_D      D    91_D    44.750     0    0.585   1.228    46.104    0.000    0.000
LGA    L    92_D      L    92_D    43.788     0    0.043   1.381    47.506    0.000    0.000
LGA    S    93_D      S    93_D    37.225     0    0.061   0.073    39.698    0.000    0.000
LGA    N    94_D      N    94_D    36.576     0    0.027   1.188    40.543    0.000    0.000
LGA    K    95_D      K    95_D    36.224     0    0.606   0.989    39.029    0.000    0.000
LGA    E    96_D      E    96_D    34.562     0    0.030   1.022    41.049    0.000    0.000
LGA    E    97_D      E    97_D    27.272     0    0.018   0.989    29.737    0.000    0.000
LGA    T    98_D      T    98_D    28.999     0    0.017   0.062    30.702    0.000    0.000
LGA    K    99_D      K    99_D    34.840     0    0.013   0.656    44.249    0.000    0.000
LGA    E   100_D      E   100_D    31.631     0    0.007   1.356    32.554    0.000    0.000
LGA    V   101_D      V   101_D    25.724     0    0.069   0.844    27.696    0.000    0.000
LGA    L   102_D      L   102_D    30.338     0    0.013   0.318    33.197    0.000    0.000
LGA    K   103_D      K   103_D    35.142     0    0.019   0.462    44.747    0.000    0.000
LGA    K   104_D      K   104_D    30.451     0    0.016   0.503    31.788    0.000    0.000
LGA    F   105_D      F   105_D    27.086     0    0.014   1.412    29.150    0.000    0.000
LGA    K   106_D      K   106_D    33.565     0    0.038   0.831    44.425    0.000    0.000
LGA    E   107_D      E   107_D    35.570     0    0.022   1.333    41.445    0.000    0.000
LGA    K   108_D      K   108_D    29.246     0    0.012   1.359    31.100    0.000    0.000
LGA    V   109_D      V   109_D    29.309     0    0.047   0.088    31.719    0.000    0.000
LGA    N   110_D      N   110_D    36.436     0    0.010   0.530    40.336    0.000    0.000
LGA    Q   111_D      Q   111_D    35.561     0    0.033   0.895    35.693    0.000    0.000
LGA    F   112_D      F   112_D    29.723     0    0.019   1.448    31.460    0.000    0.000
LGA    Y   113_D      Y   113_D    33.493     0    0.034   0.205    35.951    0.000    0.000
LGA    R   114_D      R   114_D    39.617     0    0.035   1.303    44.653    0.000    0.000
LGA    H   115_D      H   115_D    36.471     0    0.010   0.608    36.988    0.000    0.000
LGA    A   116_D      A   116_D    32.204     0    0.045   0.050    34.272    0.000    0.000
LGA    F   117_D      F   117_D    37.686     0    0.160   1.145    41.014    0.000    0.000
LGA    D   118_D      D   118_D    42.509     0    0.036   0.062    46.627    0.000    0.000
LGA    I   119_D      I   119_D    38.344     0    0.070   0.110    39.703    0.000    0.000
LGA    I   120_D      I   120_D    37.455     0    0.038   1.004    40.884    0.000    0.000
LGA    N   121_D      N   121_D    44.781     0    0.070   0.113    47.658    0.000    0.000
LGA    K   122_D      K   122_D    46.799     0    0.038   0.297    51.729    0.000    0.000
LGA    Y   123_D      Y   123_D    42.256     0    0.107   1.347    45.293    0.000    0.000
LGA    G   124_D      G   124_D    40.714     0    0.165   0.165    41.444    0.000    0.000
LGA    L   125_D      L   125_D    40.463     0    0.269   1.450    41.691    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00    1059   1059  100.00               124
SUMMARY(RMSD_GDC):    15.640         15.679                 16.246           36.719   32.519

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     58    1.78    38.710    39.033     3.081

LGA_LOCAL      RMSD:   1.783  Number of atoms:   58  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  26.280  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  15.640  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.749271 * X  +   0.646765 * Y  +   0.142439 * Z  +  14.763376
  Y_new =   0.558779 * X  +   0.501951 * Y  +   0.660160 * Z  + -34.686291
  Z_new =   0.355471 * X  +   0.574230 * Y  +  -0.737495 * Z  +  58.737759 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.500808 -0.363418  2.480023   [DEG:  143.2858  -20.8223  142.0949 ]
ZXZ:  2.929087  2.400151  0.554302   [DEG:  167.8243  137.5185   31.7591 ]
 
# END of job
