
#######################################################
#                                                     #
#                        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        4.81    25.30
  LCS_AVERAGE:     46.02

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    60       2_D - 61_D        1.95    26.34
  LCS_AVERAGE:     32.11

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      95_D - 125_D       1.00    21.04
  LCS_AVERAGE:     16.29

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   60   65      8   29   40   45   48   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     K     3_D     K     3_D     24   60   65     11   35   41   45   50   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     E     4_D     E     4_D     24   60   65     13   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     I     5_D     I     5_D     24   60   65     13   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     A     6_D     A     6_D     24   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     K     7_D     K     7_D     24   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     E     8_D     E     8_D     24   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     I     9_D     I     9_D     24   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     F    10_D     F    10_D     24   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     N    11_D     N    11_D     24   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     M    12_D     M    12_D     24   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     M    13_D     M    13_D     24   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     F    14_D     F    14_D     24   60   65      4   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     M    15_D     M    15_D     24   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     L    16_D     L    16_D     24   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     L    17_D     L    17_D     24   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     W    18_D     W    18_D     24   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     R    19_D     R    19_D     24   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     V    20_D     V    20_D     24   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     F    21_D     F    21_D     24   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     R    22_D     R    22_D     24   60   65     12   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     S    23_D     S    23_D     24   60   65      4   10   39   45   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     Q    24_D     Q    24_D     24   60   65     13   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     R    25_D     R    25_D     24   60   65      7   24   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     I    26_D     I    26_D     24   60   65      3    5    7   38   47   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     D    27_D     D    27_D     12   60   65      3   16   30   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     A    28_D     A    28_D      5   60   65      3    4    7   30   50   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     N    29_D     N    29_D     20   60   65      3   12   23   40   46   53   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     N    30_D     N    30_D     24   60   65      3   10   24   41   49   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     V    31_D     V    31_D     25   60   65     10   30   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     E    32_D     E    32_D     25   60   65     10   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     L    33_D     L    33_D     25   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     I    34_D     I    34_D     25   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     K    35_D     K    35_D     25   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     F    36_D     F    36_D     25   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     N    37_D     N    37_D     25   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     I    38_D     I    38_D     25   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     R    39_D     R    39_D     25   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     V    40_D     V    40_D     25   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     L    41_D     L    41_D     25   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     D    42_D     D    42_D     25   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     W    43_D     W    43_D     25   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     I    44_D     I    44_D     25   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     M    45_D     M    45_D     25   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     A    46_D     A    46_D     25   60   65     14   35   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     E    47_D     E    47_D     25   60   65     11   33   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     A    48_D     A    48_D     25   60   65     14   30   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     D    49_D     D    49_D     25   60   65      8   24   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     N    50_D     N    50_D     25   60   65     10   26   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     D    51_D     D    51_D     25   60   65     10   27   42   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     L    52_D     L    52_D     25   60   65      7   21   36   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     C    53_D     C    53_D     25   60   65      7   15   30   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     Y    54_D     Y    54_D     25   60   65      7   17   31   46   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     F    55_D     F    55_D     25   60   65      8   18   31   45   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     I    56_D     I    56_D     23   60   65      3   15   30   42   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     G    57_D     G    57_D      6   60   65      3    5   17   39   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     T    58_D     T    58_D      6   60   65      3    7   23   39   51   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     H    59_D     H    59_D      6   60   65      3    3    7   11   28   39   51   59   59   59   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     D    60_D     D    60_D      5   60   65      3    4   26   39   50   56   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     K    61_D     K    61_D      5   60   65      3    4    6    6    8   52   58   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     C    62_D     C    62_D      5    5   65      3    4   10   22   37   50   57   60   60   60   61   61   61   61   62   62   62   62   62   62 
LCS_GDT     E    63_D     E    63_D      5    5   65      3    4    6    9   19   26   36   44   51   55   59   61   61   61   62   62   62   62   62   62 
LCS_GDT     N    64_D     N    64_D      4    5   65      3    4    5    5    6   13   18   21   23   28   35   38   43   50   58   61   61   62   62   62 
LCS_GDT     P    65_D     P    65_D      4    5   65      3    4    5    7   11   13   14   16   18   21   23   30   36   39   41   53   56   59   59   61 
LCS_GDT     K    66_D     K    66_D      4    5   65      3    4    5    5   10   12   13   14   18   19   22   24   29   30   34   37   39   42   48   54 
LCS_GDT     E    67_D     E    67_D      3    4   21      3    3    3    5    7    9   11   13   17   19   22   24   29   29   34   37   39   42   45   49 
LCS_GDT     Q    68_D     Q    68_D      3    4   21      0    3    4    4    4    6   11   12   14   15   19   21   25   29   32   37   39   42   45   47 
LCS_GDT     W    69_D     W    69_D      3   14   21      0    3    6    9   10   13   14   15   17   23   26   29   31   31   34   37   39   42   48   51 
LCS_GDT     V    70_D     V    70_D     11   14   21      7   11   11   11   13   13   14   17   21   23   26   29   31   31   34   37   39   43   48   52 
LCS_GDT     A    71_D     A    71_D     11   14   21      7   11   11   11   13   13   14   17   21   23   26   29   31   31   34   37   39   42   48   51 
LCS_GDT     N    72_D     N    72_D     11   14   21      7   11   11   11   13   13   14   17   21   23   26   29   31   31   34   37   39   42   48   54 
LCS_GDT     Y    73_D     Y    73_D     11   14   21      7   11   11   11   13   13   14   17   21   23   26   29   31   37   41   42   48   51   53   56 
LCS_GDT     Q    74_D     Q    74_D     11   14   52      7   11   11   11   13   13   14   17   21   23   26   29   31   36   41   42   48   51   53   56 
LCS_GDT     N    75_D     N    75_D     11   14   52      7   11   11   11   13   13   14   17   21   23   26   29   31   31   34   42   43   47   52   56 
LCS_GDT     L    76_D     L    76_D     11   14   52      7   11   11   11   13   13   14   15   16   21   29   36   45   47   49   52   53   54   56   56 
LCS_GDT     N    77_D     N    77_D     11   14   52      6   11   11   11   13   13   18   25   33   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     N    78_D     N    78_D     11   14   52      7   11   11   11   13   13   14   15   16   19   36   45   45   47   50   52   53   54   56   56 
LCS_GDT     V    79_D     V    79_D     11   14   52      6   11   11   11   13   13   14   15   16   16   20   22   30   36   39   52   53   54   56   56 
LCS_GDT     V    80_D     V    80_D     11   14   52      6   11   11   11   13   13   14   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     F    81_D     F    81_D      4   14   52      3    5    5   15   17   31   32   34   35   37   39   41   45   47   50   52   53   54   56   56 
LCS_GDT     T    82_D     T    82_D      4   14   52      3    4    4   11   14   22   32   34   35   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     N    83_D     N    83_D      4    4   52      5    8   13   20   30   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     K    84_D     K    84_D      4    4   52      3    8   13   20   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     E    85_D     E    85_D      3    4   52      3    3    4    7   14   15   22   27   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     L    86_D     L    86_D      4    6   52      3    3    5   10   12   14   17   21   27   31   40   45   45   47   50   52   53   54   56   56 
LCS_GDT     E    87_D     E    87_D      4    6   52      3    3    4    6   12   14   17   18   23   30   37   44   45   47   50   52   53   54   56   56 
LCS_GDT     D    88_D     D    88_D      4    6   52      3    3    5   10   12   14   18   21   27   37   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     I    89_D     I    89_D      4    6   52      3    3    7   10   15   23   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     Y    90_D     Y    90_D      3    6   52      3    3    4    6   12   14   17   21   35   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     D    91_D     D    91_D      4    6   52      3    3    4    6   10   14   17   21   25   33   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     L    92_D     L    92_D      4    5   52      3    3    4    4    5    7   12   18   25   31   40   44   45   47   49   52   53   54   56   56 
LCS_GDT     S    93_D     S    93_D      4   32   52      3    4    4    4    6   11   14   23   28   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     N    94_D     N    94_D      4   32   52      3    4    5   10   12   28   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     K    95_D     K    95_D     31   32   52      4   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     E    96_D     E    96_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     E    97_D     E    97_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   58 
LCS_GDT     T    98_D     T    98_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     K    99_D     K    99_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     E   100_D     E   100_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     V   101_D     V   101_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   57 
LCS_GDT     L   102_D     L   102_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     K   103_D     K   103_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     K   104_D     K   104_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     F   105_D     F   105_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     K   106_D     K   106_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     E   107_D     E   107_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     K   108_D     K   108_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     V   109_D     V   109_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     N   110_D     N   110_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     Q   111_D     Q   111_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     F   112_D     F   112_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     Y   113_D     Y   113_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     R   114_D     R   114_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     H   115_D     H   115_D     31   32   52      7   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     A   116_D     A   116_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     F   117_D     F   117_D     31   32   52     17   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     D   118_D     D   118_D     31   32   52      7   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     I   119_D     I   119_D     31   32   52      4   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     I   120_D     I   120_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     N   121_D     N   121_D     31   32   52      3    7   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     K   122_D     K   122_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     Y   123_D     Y   123_D     31   32   52     18   28   29   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     G   124_D     G   124_D     31   32   52      3    3   17   30   31   32   33   34   36   39   42   45   45   47   50   52   53   54   56   56 
LCS_GDT     L   125_D     L   125_D     31   32   52      3    3    3   17   20   22   33   34   35   37   39   41   45   47   50   51   53   54   56   56 
LCS_AVERAGE  LCS_A:  31.47  (  16.29   32.11   46.02 )

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     18     35     42     46     51     56     58     60     60     60     61     61     61     61     62     62     62     62     62     62 
GDT PERCENT_AT  14.52  28.23  33.87  37.10  41.13  45.16  46.77  48.39  48.39  48.39  49.19  49.19  49.19  49.19  50.00  50.00  50.00  50.00  50.00  50.00
GDT RMS_LOCAL    0.26   0.68   0.93   1.20   1.45   1.63   1.74   1.94   1.94   1.94   2.06   2.06   2.06   2.06   2.47   2.47   2.47   2.47   2.47   2.47
GDT RMS_ALL_AT  20.83  26.94  26.72  26.57  26.46  26.41  26.36  26.23  26.23  26.23  26.26  26.26  26.26  26.26  26.08  26.08  26.08  26.08  26.08  26.08

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  F    10_D      F    10_D
#   possible swapping detected:  F    14_D      F    14_D
#   possible swapping detected:  F    55_D      F    55_D
#   possible swapping detected:  D    60_D      D    60_D
#   possible swapping detected:  E    63_D      E    63_D
#   possible swapping detected:  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:  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:  Y   113_D      Y   113_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     3.079     0    0.598   1.030     4.619   50.833   52.321
LGA    K     3_D      K     3_D     2.296     0    0.022   0.399     3.566   69.048   60.106
LGA    E     4_D      E     4_D     0.932     0    0.033   1.144     4.953   85.952   72.169
LGA    I     5_D      I     5_D     1.677     0    0.012   0.095     3.121   77.143   68.155
LGA    A     6_D      A     6_D     1.676     0    0.016   0.017     2.030   77.143   74.667
LGA    K     7_D      K     7_D     0.874     0    0.011   0.650     2.835   88.214   81.058
LGA    E     8_D      E     8_D     0.737     0    0.041   0.168     2.055   90.476   83.704
LGA    I     9_D      I     9_D     1.038     0    0.013   0.092     1.334   88.214   84.821
LGA    F    10_D      F    10_D     0.968     0    0.019   0.202     2.172   88.214   79.307
LGA    N    11_D      N    11_D     0.406     0    0.033   0.888     3.890   97.619   80.119
LGA    M    12_D      M    12_D     0.273     0    0.039   0.913     3.897  100.000   90.595
LGA    M    13_D      M    13_D     0.476     0    0.015   0.843     2.372   95.238   85.417
LGA    F    14_D      F    14_D     1.130     0    0.125   1.041     5.901   85.952   59.221
LGA    M    15_D      M    15_D     0.588     0    0.009   0.577     1.421   88.214   90.595
LGA    L    16_D      L    16_D     0.852     0    0.052   0.076     1.059   85.952   88.214
LGA    L    17_D      L    17_D     1.256     0    0.037   1.320     4.122   77.143   64.821
LGA    W    18_D      W    18_D     1.940     0    0.055   1.468     4.463   70.833   58.537
LGA    R    19_D      R    19_D     1.830     0    0.040   1.374     4.585   70.833   63.723
LGA    V    20_D      V    20_D     1.646     0    0.026   0.110     1.926   72.857   74.082
LGA    F    21_D      F    21_D     1.825     0    0.073   0.923     5.440   72.857   56.970
LGA    R    22_D      R    22_D     1.695     0    0.041   1.201    12.390   72.857   38.874
LGA    S    23_D      S    23_D     2.143     0    0.105   0.588     3.044   70.833   67.698
LGA    Q    24_D      Q    24_D     1.417     0    0.189   1.065     4.789   81.548   66.296
LGA    R    25_D      R    25_D     0.637     0    0.660   0.880     6.265   84.048   59.870
LGA    I    26_D      I    26_D     3.033     0    0.618   1.027     5.236   45.833   48.333
LGA    D    27_D      D    27_D     2.058     0    0.550   0.531     4.945   70.952   56.071
LGA    A    28_D      A    28_D     2.649     0    0.460   0.527     5.144   49.524   51.048
LGA    N    29_D      N    29_D     3.967     0    0.061   0.859     8.845   42.500   27.381
LGA    N    30_D      N    30_D     2.620     0    0.324   0.497     5.636   66.905   49.583
LGA    V    31_D      V    31_D     1.742     0    0.075   0.922     4.378   75.119   65.646
LGA    E    32_D      E    32_D     0.924     0    0.028   0.847     3.046   88.214   75.556
LGA    L    33_D      L    33_D     0.778     0    0.023   1.418     4.820   90.476   71.845
LGA    I    34_D      I    34_D     0.995     0    0.064   0.629     1.997   90.476   82.738
LGA    K    35_D      K    35_D     1.519     0    0.010   0.581     2.622   77.143   70.317
LGA    F    36_D      F    36_D     1.571     0    0.062   0.078     2.556   79.286   72.294
LGA    N    37_D      N    37_D     0.769     0    0.009   0.418     1.862   88.214   86.012
LGA    I    38_D      I    38_D     1.575     0    0.023   0.627     2.566   75.000   69.940
LGA    R    39_D      R    39_D     2.135     0    0.042   0.931     4.321   70.833   59.697
LGA    V    40_D      V    40_D     1.364     0    0.043   0.046     1.562   79.286   80.272
LGA    L    41_D      L    41_D     1.081     0    0.049   1.397     4.494   81.429   71.726
LGA    D    42_D      D    42_D     1.865     0    0.015   0.257     2.535   72.857   67.857
LGA    W    43_D      W    43_D     1.828     0    0.027   0.218     2.089   75.000   73.503
LGA    I    44_D      I    44_D     1.051     0    0.012   0.074     1.201   81.429   87.143
LGA    M    45_D      M    45_D     1.304     0    0.021   0.688     2.125   81.429   76.131
LGA    A    46_D      A    46_D     1.702     0    0.023   0.027     2.012   75.000   72.952
LGA    E    47_D      E    47_D     1.309     0    0.051   0.313     2.898   83.690   75.079
LGA    A    48_D      A    48_D     0.961     0    0.013   0.018     1.149   90.476   88.667
LGA    D    49_D      D    49_D     0.957     0    0.023   0.167     1.720   90.476   86.012
LGA    N    50_D      N    50_D     0.553     0    0.004   0.171     1.089   90.476   89.345
LGA    D    51_D      D    51_D     0.563     0    0.000   0.044     1.139   88.214   88.214
LGA    L    52_D      L    52_D     1.614     0    0.059   0.088     2.569   75.000   69.940
LGA    C    53_D      C    53_D     1.935     0    0.011   0.642     4.103   68.810   64.206
LGA    Y    54_D      Y    54_D     1.945     0    0.065   0.114     3.214   66.905   61.746
LGA    F    55_D      F    55_D     2.352     0    0.724   0.720     3.468   61.071   58.701
LGA    I    56_D      I    56_D     2.922     0    0.354   1.113     5.719   57.143   49.881
LGA    G    57_D      G    57_D     3.109     0    0.468   0.468     3.974   48.333   48.333
LGA    T    58_D      T    58_D     3.042     0    0.560   1.013     4.604   51.786   51.633
LGA    H    59_D      H    59_D     5.917     0    0.437   1.415     7.721   30.476   17.333
LGA    D    60_D      D    60_D     2.851     0    0.295   1.135     6.221   48.929   43.274
LGA    K    61_D      K    61_D     4.031     0    0.381   1.394     6.264   43.333   33.386
LGA    C    62_D      C    62_D     5.163     0    0.423   0.828     7.797   20.119   30.079
LGA    E    63_D      E    63_D    11.178     0    0.544   1.109    13.495    0.714    0.317
LGA    N    64_D      N    64_D    16.914     0    0.175   0.461    22.669    0.000    0.000
LGA    P    65_D      P    65_D    19.815     0    0.726   0.662    23.591    0.000    0.000
LGA    K    66_D      K    66_D    26.340     0    0.307   1.069    31.531    0.000    0.000
LGA    E    67_D      E    67_D    31.139     0    0.548   0.473    36.270    0.000    0.000
LGA    Q    68_D      Q    68_D    32.759     0    0.357   1.161    37.142    0.000    0.000
LGA    W    69_D      W    69_D    31.181     0    0.627   0.565    35.118    0.000    0.000
LGA    V    70_D      V    70_D    35.216     0    0.555   1.400    36.675    0.000    0.000
LGA    A    71_D      A    71_D    38.325     0    0.044   0.047    39.402    0.000    0.000
LGA    N    72_D      N    72_D    32.974     0    0.079   0.083    34.419    0.000    0.000
LGA    Y    73_D      Y    73_D    32.583     0    0.038   1.164    35.486    0.000    0.000
LGA    Q    74_D      Q    74_D    39.633     0    0.059   1.039    46.775    0.000    0.000
LGA    N    75_D      N    75_D    39.023     0    0.054   0.196    42.067    0.000    0.000
LGA    L    76_D      L    76_D    33.910     0    0.018   0.994    35.643    0.000    0.000
LGA    N    77_D      N    77_D    39.102     0    0.164   0.790    43.152    0.000    0.000
LGA    N    78_D      N    78_D    43.119     0    0.022   0.126    47.434    0.000    0.000
LGA    V    79_D      V    79_D    38.282     0    0.137   0.936    39.527    0.000    0.000
LGA    V    80_D      V    80_D    36.731     0    0.609   0.862    39.823    0.000    0.000
LGA    F    81_D      F    81_D    39.741     0    0.564   0.591    43.166    0.000    0.000
LGA    T    82_D      T    82_D    46.371     0    0.657   0.548    47.936    0.000    0.000
LGA    N    83_D      N    83_D    48.037     0    0.266   0.848    51.708    0.000    0.000
LGA    K    84_D      K    84_D    51.045     0    0.596   1.001    56.088    0.000    0.000
LGA    E    85_D      E    85_D    47.232     0    0.594   0.971    50.241    0.000    0.000
LGA    L    86_D      L    86_D    43.008     0    0.629   1.412    44.364    0.000    0.000
LGA    E    87_D      E    87_D    47.498     0    0.611   0.911    54.800    0.000    0.000
LGA    D    88_D      D    88_D    46.814     0    0.362   0.388    52.006    0.000    0.000
LGA    I    89_D      I    89_D    39.843     0    0.213   1.298    42.421    0.000    0.000
LGA    Y    90_D      Y    90_D    39.704     0    0.569   1.385    42.515    0.000    0.000
LGA    D    91_D      D    91_D    44.702     0    0.655   1.083    45.972    0.000    0.000
LGA    L    92_D      L    92_D    43.795     0    0.135   0.164    48.635    0.000    0.000
LGA    S    93_D      S    93_D    37.407     0    0.615   0.775    39.895    0.000    0.000
LGA    N    94_D      N    94_D    35.440     0    0.193   1.216    39.287    0.000    0.000
LGA    K    95_D      K    95_D    34.891     0    0.598   0.946    36.551    0.000    0.000
LGA    E    96_D      E    96_D    33.885     0    0.055   1.304    39.514    0.000    0.000
LGA    E    97_D      E    97_D    26.683     0    0.018   0.986    29.114    0.000    0.000
LGA    T    98_D      T    98_D    28.814     0    0.021   0.114    30.798    0.000    0.000
LGA    K    99_D      K    99_D    34.558     0    0.012   0.860    44.050    0.000    0.000
LGA    E   100_D      E   100_D    31.122     0    0.010   1.360    32.008    0.000    0.000
LGA    V   101_D      V   101_D    25.260     0    0.072   0.794    27.242    0.000    0.000
LGA    L   102_D      L   102_D    30.002     0    0.012   0.302    33.593    0.000    0.000
LGA    K   103_D      K   103_D    34.523     0    0.017   0.462    43.911    0.000    0.000
LGA    K   104_D      K   104_D    29.498     0    0.002   0.492    30.962    0.000    0.000
LGA    F   105_D      F   105_D    26.291     0    0.041   1.436    28.378    0.000    0.000
LGA    K   106_D      K   106_D    32.946     0    0.038   0.845    43.572    0.000    0.000
LGA    E   107_D      E   107_D    34.858     0    0.025   1.374    40.899    0.000    0.000
LGA    K   108_D      K   108_D    28.594     0    0.009   1.331    30.415    0.000    0.000
LGA    V   109_D      V   109_D    28.830     0    0.070   0.068    31.262    0.000    0.000
LGA    N   110_D      N   110_D    36.000     0    0.022   0.065    40.724    0.000    0.000
LGA    Q   111_D      Q   111_D    35.235     0    0.001   1.379    36.980    0.000    0.000
LGA    F   112_D      F   112_D    29.370     0    0.024   1.455    31.097    0.000    0.000
LGA    Y   113_D      Y   113_D    33.307     0    0.018   1.249    35.784    0.000    0.000
LGA    R   114_D      R   114_D    39.339     0    0.029   1.222    45.105    0.000    0.000
LGA    H   115_D      H   115_D    36.098     0    0.020   1.098    36.653    0.000    0.000
LGA    A   116_D      A   116_D    31.836     0    0.079   0.093    33.789    0.000    0.000
LGA    F   117_D      F   117_D    37.351     0    0.109   0.651    40.384    0.000    0.000
LGA    D   118_D      D   118_D    42.438     0    0.053   0.110    45.715    0.000    0.000
LGA    I   119_D      I   119_D    38.415     0    0.089   0.215    39.586    0.000    0.000
LGA    I   120_D      I   120_D    38.484     0    0.078   1.558    41.877    0.000    0.000
LGA    N   121_D      N   121_D    46.010     0    0.057   1.282    50.096    0.000    0.000
LGA    K   122_D      K   122_D    47.128     0    0.012   0.644    50.917    0.000    0.000
LGA    Y   123_D      Y   123_D    42.512     0    0.121   0.432    44.767    0.000    0.000
LGA    G   124_D      G   124_D    41.004     0    0.199   0.199    41.853    0.000    0.000
LGA    L   125_D      L   125_D    40.552     0    0.595   1.091    41.830    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):    15.599         15.667                 16.240           36.410   32.851

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  124    4.0     60    1.94    40.927    40.297     2.935

LGA_LOCAL      RMSD:   1.944  Number of atoms:   60  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  26.227  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  15.599  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.073683 * X  +  -0.912353 * Y  +  -0.402718 * Z  +  11.503809
  Y_new =  -0.997279 * X  +  -0.068308 * Y  +  -0.027715 * Z  + -26.162865
  Z_new =  -0.002223 * X  +   0.403665 * Y  +  -0.914904 * Z  +  58.609158 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.497047  0.002223  2.726073   [DEG:  -85.7745    0.1274  156.1925 ]
ZXZ: -1.502085  2.726067 -0.005506   [DEG:  -86.0631  156.1921   -0.3155 ]
 
# END of job
