
#######################################################
#                                                     #
#                        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:    48       2_D - 49_D        4.89    25.08
  LONGEST_CONTINUOUS_SEGMENT:    48       3_D - 50_D        4.93    24.90
  LONGEST_CONTINUOUS_SEGMENT:    48       4_D - 51_D        4.98    24.70
  LCS_AVERAGE:     28.61

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      97_D - 125_D       1.67    19.01
  LCS_AVERAGE:     16.29

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      98_D - 124_D       0.80    19.17
  LCS_AVERAGE:     13.42

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   26   48      8   14   23   24   24   25   25   25   26   26   28   33   37   42   43   47   47   49   50   52 
LCS_GDT     K     3_D     K     3_D     24   26   48     10   20   23   24   24   25   25   25   26   26   26   28   34   35   43   45   46   50   50   52 
LCS_GDT     E     4_D     E     4_D     24   26   48     10   20   23   24   24   25   25   25   26   26   33   41   45   46   46   47   48   50   50   52 
LCS_GDT     I     5_D     I     5_D     24   26   48     10   20   23   24   24   25   25   25   32   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     A     6_D     A     6_D     24   26   48     10   20   23   24   24   25   25   25   26   26   33   40   43   46   46   47   48   50   50   52 
LCS_GDT     K     7_D     K     7_D     24   26   48     10   20   23   24   24   25   25   25   26   26   33   42   45   46   46   47   48   50   50   52 
LCS_GDT     E     8_D     E     8_D     24   26   48     10   20   23   24   24   25   25   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     I     9_D     I     9_D     24   26   48     10   20   23   24   24   25   25   26   32   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     F    10_D     F    10_D     24   26   48     10   20   23   24   24   25   25   25   26   33   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     N    11_D     N    11_D     24   26   48     10   19   23   24   24   25   25   27   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     M    12_D     M    12_D     24   26   48     10   20   23   24   24   25   25   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     M    13_D     M    13_D     24   26   48     10   19   23   24   24   25   25   25   31   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     F    14_D     F    14_D     24   26   48      8   20   23   24   24   25   25   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     M    15_D     M    15_D     24   26   48      8   20   23   24   24   25   25   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     L    16_D     L    16_D     24   26   48      8   20   23   24   24   25   25   26   34   35   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     L    17_D     L    17_D     24   26   48      5   20   23   24   24   25   25   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     W    18_D     W    18_D     24   26   48      8   20   23   24   24   25   25   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     R    19_D     R    19_D     24   26   48      8   20   23   24   24   25   25   26   31   35   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     V    20_D     V    20_D     24   26   48      5   20   23   24   24   25   25   26   30   35   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     F    21_D     F    21_D     24   26   48      5   20   23   24   24   25   25   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     R    22_D     R    22_D     24   26   48      8   20   23   24   24   25   25   26   31   35   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     S    23_D     S    23_D     24   26   48      3   20   23   24   24   25   25   25   28   33   38   43   45   46   46   47   48   50   50   52 
LCS_GDT     Q    24_D     Q    24_D     24   26   48      6   20   23   24   24   25   25   25   26   30   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     R    25_D     R    25_D     24   26   48      5   17   21   24   24   25   25   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     I    26_D     I    26_D     23   26   48      3    5   10   19   24   25   25   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     D    27_D     D    27_D      6   26   48      3    5   12   15   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     A    28_D     A    28_D     15   24   48      3    7   13   18   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     N    29_D     N    29_D     19   24   48      9   13   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     N    30_D     N    30_D     19   24   48      6   13   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     V    31_D     V    31_D     19   24   48      9   13   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     E    32_D     E    32_D     19   24   48      9   13   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     L    33_D     L    33_D     19   24   48      9   13   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     I    34_D     I    34_D     19   24   48      9   13   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     K    35_D     K    35_D     19   24   48      9   13   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     F    36_D     F    36_D     19   24   48      9   14   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     N    37_D     N    37_D     19   24   48      9   14   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     I    38_D     I    38_D     19   24   48     10   14   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     R    39_D     R    39_D     19   24   48     10   14   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     V    40_D     V    40_D     19   24   48     10   14   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     L    41_D     L    41_D     19   24   48     10   14   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     D    42_D     D    42_D     19   24   48     10   14   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     W    43_D     W    43_D     19   24   48     10   14   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     I    44_D     I    44_D     19   24   48     10   14   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     M    45_D     M    45_D     19   24   48     10   14   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     A    46_D     A    46_D     19   24   48     10   14   18   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     E    47_D     E    47_D     19   24   48     10   14   17   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     A    48_D     A    48_D     18   24   48     10   14   17   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     D    49_D     D    49_D     18   24   48     10   14   17   21   21   23   24   28   34   36   39   43   45   46   46   47   48   50   50   52 
LCS_GDT     N    50_D     N    50_D      3   22   48      3    3    5    5    5    5    9   15   16   28   38   39   41   45   46   47   48   50   50   52 
LCS_GDT     D    51_D     D    51_D      3    4   48      3    3    5    5    6    7    9   13   17   21   23   27   37   41   42   47   48   50   50   52 
LCS_GDT     L    52_D     L    52_D      3    4   45      3    3    3    4    4    5   10   11   12   15   16   21   24   28   40   47   48   50   50   52 
LCS_GDT     C    53_D     C    53_D      3    5   18      3    3    3    4    6    7    8   10   11   13   16   17   21   23   25   28   38   47   50   52 
LCS_GDT     Y    54_D     Y    54_D      3    5   18      3    3    4    4    6    7   13   15   17   22   24   27   29   32   34   37   37   38   40   44 
LCS_GDT     F    55_D     F    55_D      3    5   18      3    3    4    5    7    8   11   11   13   13   15   16   17   19   21   24   28   32   37   42 
LCS_GDT     I    56_D     I    56_D      4    5   18      3    3    4    4    5    7   11   11   13   13   14   16   17   19   21   22   23   27   30   35 
LCS_GDT     G    57_D     G    57_D      4    5   18      3    3    4    5    7    8   11   11   13   13   15   16   17   19   21   22   24   27   31   33 
LCS_GDT     T    58_D     T    58_D      4    5   18      3    3    4    4    4    6    9   10   13   13   15   16   19   21   23   26   27   29   31   33 
LCS_GDT     H    59_D     H    59_D      4    5   23      3    3    4    4    7    8   11   11   13   13   15   16   19   21   24   26   27   29   31   33 
LCS_GDT     D    60_D     D    60_D      3    5   23      3    3    3    5    5    7   11   11   13   13   15   16   18   21   22   26   26   29   31   35 
LCS_GDT     K    61_D     K    61_D      4    5   23      3    3    4    5    7    8   11   11   13   13   18   20   21   23   24   26   27   29   31   35 
LCS_GDT     C    62_D     C    62_D      4    5   23      3    3    4    5    7    8   11   13   17   19   19   20   25   26   28   29   29   31   35   37 
LCS_GDT     E    63_D     E    63_D     12   16   23      3   10   11   13   15   16   17   18   19   22   22   24   26   26   28   29   29   35   36   40 
LCS_GDT     N    64_D     N    64_D     12   16   23      3    4    6   13   15   16   29   29   29   31   32   33   34   35   35   37   37   38   39   42 
LCS_GDT     P    65_D     P    65_D     12   16   23     10   10   11   13   15   28   29   29   30   31   32   33   34   35   35   37   37   38   39   44 
LCS_GDT     K    66_D     K    66_D     12   16   23     10   10   11   24   28   28   29   30   31   31   32   33   34   35   35   37   37   39   40   44 
LCS_GDT     E    67_D     E    67_D     12   16   23     10   10   17   25   29   29   29   30   31   31   32   34   35   37   37   38   38   39   42   44 
LCS_GDT     Q    68_D     Q    68_D     12   16   23     10   10   11   13   15   21   27   30   31   31   32   34   35   37   37   38   38   39   42   44 
LCS_GDT     W    69_D     W    69_D     12   16   23     10   10   17   26   29   29   29   30   31   31   32   34   35   37   37   38   38   39   42   44 
LCS_GDT     V    70_D     V    70_D     12   16   23     10   10   11   13   15   16   19   22   30   31   31   34   35   37   37   38   39   40   43   44 
LCS_GDT     A    71_D     A    71_D     12   16   23     10   10   11   13   15   16   17   18   19   25   28   34   35   37   37   38   39   40   43   44 
LCS_GDT     N    72_D     N    72_D     12   16   23     10   10   11   13   15   16   17   18   19   22   22   24   28   37   37   38   38   39   43   44 
LCS_GDT     Y    73_D     Y    73_D     12   16   23     10   10   11   13   15   16   16   19   24   25   30   34   35   37   37   38   39   40   43   44 
LCS_GDT     Q    74_D     Q    74_D     12   16   23     10   10   11   13   15   16   17   18   19   19   22   26   28   31   33   35   39   40   43   44 
LCS_GDT     N    75_D     N    75_D      8   16   23      4    6    8   13   15   16   17   18   19   22   22   24   26   26   28   29   29   30   41   44 
LCS_GDT     L    76_D     L    76_D      8   16   23      4    6    8   13   15   16   17   18   19   22   22   24   26   30   32   34   39   40   43   44 
LCS_GDT     N    77_D     N    77_D      8   16   23      4    6    8   13   15   16   17   18   19   22   22   24   26   26   30   33   35   38   41   44 
LCS_GDT     N    78_D     N    78_D      8   16   23      4    6    8   13   15   16   17   18   19   22   22   24   26   26   28   31   34   36   36   39 
LCS_GDT     V    79_D     V    79_D      8   12   23      4    6    8    8   13   16   17   18   19   22   22   24   26   26   28   29   29   30   31   37 
LCS_GDT     V    80_D     V    80_D      8   12   23      3    6    8    8   13   16   17   18   19   22   22   24   26   26   28   32   34   36   40   44 
LCS_GDT     F    81_D     F    81_D      4   10   23      3    4    5    7    7   10   11   15   19   19   22   24   26   26   28   32   34   36   40   44 
LCS_GDT     T    82_D     T    82_D      4   10   23      3    4    5    7    7   10   10   13   15   19   22   24   26   26   28   32   34   36   40   44 
LCS_GDT     N    83_D     N    83_D      4    5   23      3    4    4    6    7    7    7   10   11   12   15   17   20   22   27   32   34   36   40   44 
LCS_GDT     K    84_D     K    84_D      4    5   23      3    4    4    6    7    7    7    9   11   12   16   20   20   27   30   32   34   37   40   44 
LCS_GDT     E    85_D     E    85_D      3    4   18      3    3    4    4    6    7    7   10   11   13   19   22   24   27   30   32   34   37   40   44 
LCS_GDT     L    86_D     L    86_D      4    6   18      3    3    4    5    6    8   11   12   16   19   22   24   27   31   33   35   39   40   42   44 
LCS_GDT     E    87_D     E    87_D      4    6   18      3    3    4    5    7    9   11   13   16   19   22   24   27   31   33   35   39   40   43   44 
LCS_GDT     D    88_D     D    88_D      4    6   21      3    3    4    5    8    9   11   13   16   19   22   24   27   31   33   35   39   40   43   44 
LCS_GDT     I    89_D     I    89_D      4    6   21      3    3    4    6    8    9   11   13   16   18   22   24   27   31   33   35   39   40   43   44 
LCS_GDT     Y    90_D     Y    90_D      3    6   21      3    3    3    4    5    7    8   12   13   14   17   19   22   24   27   33   39   40   43   44 
LCS_GDT     D    91_D     D    91_D      6    6   21      4    6    6    6    8    9   11   12   14   16   17   20   22   25   30   33   39   40   43   44 
LCS_GDT     L    92_D     L    92_D      6    6   21      4    6    6    6    6    6    7    8   11   12   15   17   18   19   20   23   25   28   35   41 
LCS_GDT     S    93_D     S    93_D      6    6   33      4    6    6    6    6    6    7    8   11   12   15   17   18   19   20   21   22   24   27   33 
LCS_GDT     N    94_D     N    94_D      6    6   33      4    6    6    6    6    6    8   10   11   14   16   18   20   22   27   32   38   40   43   44 
LCS_GDT     K    95_D     K    95_D      6    6   33      3    6    6    6    8    9   11   16   23   25   28   34   35   37   37   38   39   40   43   44 
LCS_GDT     E    96_D     E    96_D      6    6   33      3    6    6    6    8    9   12   19   24   25   31   34   35   37   37   38   39   40   43   44 
LCS_GDT     E    97_D     E    97_D      3   29   33      3    3    4    7   15   21   27   30   31   31   32   34   35   37   37   38   39   40   43   44 
LCS_GDT     T    98_D     T    98_D     27   29   33     15   25   26   27   29   29   29   30   31   31   32   33   34   37   37   38   38   39   43   44 
LCS_GDT     K    99_D     K    99_D     27   29   33     15   25   26   27   29   29   29   30   31   31   32   33   35   37   37   38   38   39   43   44 
LCS_GDT     E   100_D     E   100_D     27   29   33     15   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   43   44 
LCS_GDT     V   101_D     V   101_D     27   29   33     15   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   43   44 
LCS_GDT     L   102_D     L   102_D     27   29   33     15   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   43   44 
LCS_GDT     K   103_D     K   103_D     27   29   33     15   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   43   44 
LCS_GDT     K   104_D     K   104_D     27   29   33     15   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   42   44   47 
LCS_GDT     F   105_D     F   105_D     27   29   33     15   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   43   44 
LCS_GDT     K   106_D     K   106_D     27   29   33     15   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   43   44 
LCS_GDT     E   107_D     E   107_D     27   29   33     15   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   48   50   51 
LCS_GDT     K   108_D     K   108_D     27   29   33     15   25   26   27   29   29   29   30   31   31   32   34   35   37   38   41   46   49   50   51 
LCS_GDT     V   109_D     V   109_D     27   29   33     15   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   43   46 
LCS_GDT     N   110_D     N   110_D     27   29   33     15   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   43   44 
LCS_GDT     Q   111_D     Q   111_D     27   29   33     15   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   48   50   52 
LCS_GDT     F   112_D     F   112_D     27   29   33     15   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   48   49   52 
LCS_GDT     Y   113_D     Y   113_D     27   29   33     14   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   43   44 
LCS_GDT     R   114_D     R   114_D     27   29   33     14   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   48   52 
LCS_GDT     H   115_D     H   115_D     27   29   33     14   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   46   48   52 
LCS_GDT     A   116_D     A   116_D     27   29   33      9   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   48   52 
LCS_GDT     F   117_D     F   117_D     27   29   33     10   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   47   51 
LCS_GDT     D   118_D     D   118_D     27   29   33     14   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   43   51 
LCS_GDT     I   119_D     I   119_D     27   29   33     14   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   43   44 
LCS_GDT     I   120_D     I   120_D     27   29   33     13   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   43   44 
LCS_GDT     N   121_D     N   121_D     27   29   33     14   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   43   44 
LCS_GDT     K   122_D     K   122_D     27   29   33     12   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   43   44 
LCS_GDT     Y   123_D     Y   123_D     27   29   33     11   25   26   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   43   44 
LCS_GDT     G   124_D     G   124_D     27   29   33      3    4    5   27   29   29   29   30   31   31   32   34   35   37   37   38   39   40   43   44 
LCS_GDT     L   125_D     L   125_D      3   29   33      3    3    3    3    7   19   29   30   31   31   32   33   34   35   36   38   38   40   43   44 
LCS_AVERAGE  LCS_A:  19.44  (  13.42   16.29   28.61 )

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     15     25     26     27     29     29     29     30     34     36     39     43     45     46     46     47     48     50     50     52 
GDT PERCENT_AT  12.10  20.16  20.97  21.77  23.39  23.39  23.39  24.19  27.42  29.03  31.45  34.68  36.29  37.10  37.10  37.90  38.71  40.32  40.32  41.94
GDT RMS_LOCAL    0.29   0.60   0.63   0.80   1.23   1.23   1.15   1.38   3.22   3.52   3.70   4.09   4.38   4.51   4.51   4.70   5.14   5.45   5.45   5.88
GDT RMS_ALL_AT  19.71  19.38  19.36  19.17  18.99  18.99  19.38  19.03  25.43  25.45  25.40  25.26  25.15  25.15  25.15  25.12  24.51  24.47  24.47  24.21

# Checking swapping
#   possible swapping detected:  D     2_D      D     2_D
#   possible swapping detected:  F    21_D      F    21_D
#   possible swapping detected:  F    36_D      F    36_D
#   possible swapping detected:  D    42_D      D    42_D
#   possible swapping detected:  D    49_D      D    49_D
#   possible swapping detected:  Y    54_D      Y    54_D
#   possible swapping detected:  E    63_D      E    63_D
#   possible swapping detected:  F    81_D      F    81_D
#   possible swapping detected:  E    85_D      E    85_D
#   possible swapping detected:  D    88_D      D    88_D
#   possible swapping detected:  Y    90_D      Y    90_D
#   possible swapping detected:  E    97_D      E    97_D
#   possible swapping detected:  F   112_D      F   112_D
#   possible swapping detected:  F   117_D      F   117_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    31.793     0    0.633   1.083    33.879    0.000    0.000
LGA    K     3_D      K     3_D    27.097     0    0.020   0.462    29.445    0.000    0.000
LGA    E     4_D      E     4_D    22.579     0    0.038   0.185    24.466    0.000    0.000
LGA    I     5_D      I     5_D    24.908     0    0.008   0.039    30.809    0.000    0.000
LGA    A     6_D      A     6_D    24.779     0    0.043   0.049    26.436    0.000    0.000
LGA    K     7_D      K     7_D    19.238     0    0.014   0.683    21.346    0.000    0.000
LGA    E     8_D      E     8_D    17.327     0    0.044   0.194    21.722    0.000    0.000
LGA    I     9_D      I     9_D    19.763     0    0.029   0.058    25.616    0.000    0.000
LGA    F    10_D      F    10_D    18.460     0    0.010   1.425    19.536    0.000    0.000
LGA    N    11_D      N    11_D    13.374     0    0.013   0.917    15.116    0.000    0.179
LGA    M    12_D      M    12_D    13.386     0    0.061   0.898    16.529    0.000    0.000
LGA    M    13_D      M    13_D    16.077     0    0.085   0.142    23.622    0.000    0.000
LGA    F    14_D      F    14_D    14.616     0    0.043   0.728    19.659    0.000    0.000
LGA    M    15_D      M    15_D    11.008     0    0.017   0.119    11.899    0.000    0.000
LGA    L    16_D      L    16_D    11.438     0    0.063   1.254    12.671    0.000    0.000
LGA    L    17_D      L    17_D    15.448     0    0.025   0.276    21.064    0.000    0.000
LGA    W    18_D      W    18_D    15.053     0    0.017   0.051    21.655    0.000    0.000
LGA    R    19_D      R    19_D    12.676     0    0.025   0.896    13.851    0.000    0.000
LGA    V    20_D      V    20_D    14.818     0    0.053   1.353    17.556    0.000    0.000
LGA    F    21_D      F    21_D    19.332     0    0.016   0.311    22.524    0.000    0.000
LGA    R    22_D      R    22_D    20.057     0    0.103   1.099    21.418    0.000    0.000
LGA    S    23_D      S    23_D    18.915     0    0.052   0.112    19.518    0.000    0.000
LGA    Q    24_D      Q    24_D    21.467     0    0.149   1.339    24.810    0.000    0.000
LGA    R    25_D      R    25_D    27.169     0    0.028   1.195    33.136    0.000    0.000
LGA    I    26_D      I    26_D    30.987     0    0.326   1.192    34.291    0.000    0.000
LGA    D    27_D      D    27_D    35.605     0    0.059   1.262    38.806    0.000    0.000
LGA    A    28_D      A    28_D    38.423     0    0.697   0.637    40.992    0.000    0.000
LGA    N    29_D      N    29_D    36.199     0    0.134   0.866    36.986    0.000    0.000
LGA    N    30_D      N    30_D    31.162     0    0.128   1.210    33.226    0.000    0.000
LGA    V    31_D      V    31_D    31.896     0    0.045   1.328    35.417    0.000    0.000
LGA    E    32_D      E    32_D    30.979     0    0.023   0.794    32.047    0.000    0.000
LGA    L    33_D      L    33_D    27.127     0    0.005   0.072    28.689    0.000    0.000
LGA    I    34_D      I    34_D    26.064     0    0.042   0.139    28.253    0.000    0.000
LGA    K    35_D      K    35_D    27.384     0    0.014   0.197    34.445    0.000    0.000
LGA    F    36_D      F    36_D    25.584     0    0.040   1.220    26.348    0.000    0.000
LGA    N    37_D      N    37_D    22.715     0    0.021   0.604    23.885    0.000    0.000
LGA    I    38_D      I    38_D    23.331     0    0.063   0.144    24.750    0.000    0.000
LGA    R    39_D      R    39_D    24.478     0    0.021   1.092    27.746    0.000    0.000
LGA    V    40_D      V    40_D    21.720     0    0.027   1.334    22.700    0.000    0.000
LGA    L    41_D      L    41_D    20.352     0    0.029   1.191    21.283    0.000    0.000
LGA    D    42_D      D    42_D    22.472     0    0.019   1.054    24.294    0.000    0.000
LGA    W    43_D      W    43_D    22.650     0    0.010   0.341    23.373    0.000    0.000
LGA    I    44_D      I    44_D    20.219     0    0.017   0.039    20.834    0.000    0.000
LGA    M    45_D      M    45_D    20.927     0    0.021   1.183    22.241    0.000    0.000
LGA    A    46_D      A    46_D    23.938     0    0.039   0.039    24.813    0.000    0.000
LGA    E    47_D      E    47_D    23.298     0    0.094   0.132    25.691    0.000    0.000
LGA    A    48_D      A    48_D    21.593     0    0.344   0.349    22.291    0.000    0.000
LGA    D    49_D      D    49_D    24.679     0    0.328   1.125    30.357    0.000    0.000
LGA    N    50_D      N    50_D    20.007     0    0.612   0.620    21.602    0.000    0.000
LGA    D    51_D      D    51_D    15.675     0    0.589   0.828    16.883    0.000    0.000
LGA    L    52_D      L    52_D    16.572     0    0.367   1.264    18.228    0.000    0.000
LGA    C    53_D      C    53_D    19.701     0    0.292   0.727    23.914    0.000    0.000
LGA    Y    54_D      Y    54_D    13.316     0    0.607   1.409    15.241    0.000    0.040
LGA    F    55_D      F    55_D    13.973     0    0.094   1.468    17.053    0.000    0.000
LGA    I    56_D      I    56_D    19.713     0    0.234   0.367    22.928    0.000    0.000
LGA    G    57_D      G    57_D    24.017     0    0.378   0.378    24.275    0.000    0.000
LGA    T    58_D      T    58_D    26.540     0    0.196   1.041    29.416    0.000    0.000
LGA    H    59_D      H    59_D    30.910     0    0.162   1.282    33.694    0.000    0.000
LGA    D    60_D      D    60_D    26.667     0    0.538   0.480    27.873    0.000    0.000
LGA    K    61_D      K    61_D    27.340     0    0.395   1.027    37.137    0.000    0.000
LGA    C    62_D      C    62_D    20.832     0    0.135   0.652    22.983    0.000    0.000
LGA    E    63_D      E    63_D    16.379     0    0.589   1.082    21.824    0.000    0.000
LGA    N    64_D      N    64_D    10.158     0    0.199   1.266    12.436    2.500    2.976
LGA    P    65_D      P    65_D     8.544     0    0.162   0.196    11.645   14.048    8.027
LGA    K    66_D      K    66_D     3.369     0    0.019   0.613    11.839   56.905   30.688
LGA    E    67_D      E    67_D     3.693     0    0.051   0.914     7.364   39.048   40.159
LGA    Q    68_D      Q    68_D     7.972     0    0.020   1.383    14.295   11.190    5.026
LGA    W    69_D      W    69_D     3.363     0    0.052   1.480     9.050   32.619   36.088
LGA    V    70_D      V    70_D     8.386     0    0.008   1.339    12.198    6.548    4.014
LGA    A    71_D      A    71_D    13.332     0    0.006   0.008    16.104    0.000    0.000
LGA    N    72_D      N    72_D    13.061     0    0.220   0.214    15.826    0.000    0.000
LGA    Y    73_D      Y    73_D    11.566     0    0.336   1.495    15.264    0.000    6.111
LGA    Q    74_D      Q    74_D    18.318     0    0.117   1.004    22.008    0.000    0.000
LGA    N    75_D      N    75_D    22.257     0    0.042   0.223    24.889    0.000    0.000
LGA    L    76_D      L    76_D    18.608     0    0.111   0.964    20.972    0.000    0.000
LGA    N    77_D      N    77_D    22.608     0    0.085   0.929    26.935    0.000    0.000
LGA    N    78_D      N    78_D    28.511     0    0.185   0.182    31.155    0.000    0.000
LGA    V    79_D      V    79_D    26.692     0    0.014   1.116    26.808    0.000    0.000
LGA    V    80_D      V    80_D    22.495     0    0.115   1.342    24.739    0.000    0.000
LGA    F    81_D      F    81_D    23.993     0    0.521   1.237    27.884    0.000    0.000
LGA    T    82_D      T    82_D    28.615     0    0.654   0.559    29.450    0.000    0.000
LGA    N    83_D      N    83_D    28.403     0    0.275   0.898    34.153    0.000    0.000
LGA    K    84_D      K    84_D    28.058     0    0.611   0.937    28.924    0.000    0.000
LGA    E    85_D      E    85_D    25.943     0    0.607   0.592    32.440    0.000    0.000
LGA    L    86_D      L    86_D    21.024     0    0.646   0.954    22.988    0.000    0.000
LGA    E    87_D      E    87_D    21.020     0    0.598   0.782    25.725    0.000    0.000
LGA    D    88_D      D    88_D    19.458     0    0.362   1.089    24.498    0.000    0.000
LGA    I    89_D      I    89_D    16.347     0    0.208   1.390    18.878    0.000    0.000
LGA    Y    90_D      Y    90_D    18.054     0    0.570   1.217    20.320    0.000    0.000
LGA    D    91_D      D    91_D    19.011     0    0.573   1.256    20.822    0.000    0.000
LGA    L    92_D      L    92_D    20.478     0    0.009   1.371    23.699    0.000    0.000
LGA    S    93_D      S    93_D    20.643     0    0.048   0.059    22.481    0.000    0.000
LGA    N    94_D      N    94_D    15.902     0    0.055   1.109    17.363    0.000    0.000
LGA    K    95_D      K    95_D    12.657     0    0.605   1.013    21.497    0.000    0.000
LGA    E    96_D      E    96_D    11.275     0    0.608   0.600    14.812    0.238    0.106
LGA    E    97_D      E    97_D     6.743     0    0.598   1.287     8.396   17.738   18.677
LGA    T    98_D      T    98_D     1.052     0    0.583   1.362     4.311   81.786   65.510
LGA    K    99_D      K    99_D     0.809     0    0.015   0.799     3.557   90.476   73.386
LGA    E   100_D      E   100_D     0.959     0    0.032   0.289     1.552   90.476   85.503
LGA    V   101_D      V   101_D     0.820     0    0.049   0.921     3.085   90.476   82.109
LGA    L   102_D      L   102_D     0.324     0    0.006   1.339     3.219  100.000   83.988
LGA    K   103_D      K   103_D     0.161     0    0.025   0.490     1.853  100.000   96.984
LGA    K   104_D      K   104_D     0.341     0    0.004   0.502     1.203  100.000   91.693
LGA    F   105_D      F   105_D     0.635     0    0.000   0.101     0.745   90.476   93.074
LGA    K   106_D      K   106_D     0.602     0    0.013   1.064     6.240   90.476   68.360
LGA    E   107_D      E   107_D     0.439     0    0.031   0.146     0.569   95.238   97.884
LGA    K   108_D      K   108_D     0.856     0    0.012   1.032     3.875   90.476   76.667
LGA    V   109_D      V   109_D     1.137     0    0.012   1.345     3.714   81.429   74.762
LGA    N   110_D      N   110_D     0.856     0    0.038   0.121     1.148   90.476   89.345
LGA    Q   111_D      Q   111_D     0.650     0    0.036   1.033     4.380   92.857   79.894
LGA    F   112_D      F   112_D     0.632     0    0.044   1.176     6.168   95.238   63.810
LGA    Y   113_D      Y   113_D     0.727     0    0.006   1.017     6.706   90.476   62.024
LGA    R   114_D      R   114_D     0.395     0    0.032   0.335     1.671  100.000   93.203
LGA    H   115_D      H   115_D     0.300     0    0.072   0.961     2.122  100.000   88.238
LGA    A   116_D      A   116_D     0.683     0    0.015   0.021     0.893   92.857   92.381
LGA    F   117_D      F   117_D     0.527     0    0.015   0.082     1.511   95.238   88.139
LGA    D   118_D      D   118_D     0.196     0    0.039   0.126     0.771  100.000   96.429
LGA    I   119_D      I   119_D     0.559     0    0.019   0.096     0.972   92.857   92.857
LGA    I   120_D      I   120_D     1.034     0    0.050   0.718     4.174   85.952   78.155
LGA    N   121_D      N   121_D     0.831     0    0.018   0.108     1.215   85.952   88.214
LGA    K   122_D      K   122_D     1.263     0    0.013   0.254     3.769   83.690   67.619
LGA    Y   123_D      Y   123_D     1.568     0    0.123   0.154     4.291   77.143   59.286
LGA    G   124_D      G   124_D     2.211     0    0.159   0.159     2.211   79.524   79.524
LGA    L   125_D      L   125_D     4.439     0    0.171   1.223     8.334   30.357   20.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00    1059   1059  100.00               124
SUMMARY(RMSD_GDC):    16.420         16.329                 16.651           21.571   19.210

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     30    1.38    26.008    24.001     2.029

LGA_LOCAL      RMSD:   1.379  Number of atoms:   30  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.029  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  16.420  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.835253 * X  +  -0.049750 * Y  +   0.547610 * Z  + -10.182132
  Y_new =  -0.421069 * X  +   0.582611 * Y  +   0.695173 * Z  + -31.282049
  Z_new =  -0.353629 * X  +  -0.811227 * Y  +   0.465679 * Z  +  47.211567 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.466939  0.361448 -1.049681   [DEG:  -26.7537   20.7094  -60.1423 ]
ZXZ:  2.474377  1.086394 -2.730511   [DEG:  141.7713   62.2458 -156.4467 ]
 
# END of job
