
#######################################################
#                                                     #
#                        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:    65       2_D - 66_D        4.94    25.88
  LCS_AVERAGE:     40.13

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      95_D - 124_D       1.93    19.06
  LONGEST_CONTINUOUS_SEGMENT:    30      96_D - 125_D       1.80    19.11
  LCS_AVERAGE:     18.37

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      98_D - 123_D       0.97    19.53
  LCS_AVERAGE:     14.03

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     21   25   65      4   15   22   28   31   38   42   48   50   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     K     3_D     K     3_D     21   25   65     11   18   24   28   35   42   46   51   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     E     4_D     E     4_D     21   25   65     11   21   28   34   41   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     I     5_D     I     5_D     21   25   65     11   19   24   31   38   43   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     A     6_D     A     6_D     21   25   65     11   19   24   30   35   43   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     K     7_D     K     7_D     21   25   65     11   19   24   34   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     E     8_D     E     8_D     21   25   65     13   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     I     9_D     I     9_D     21   25   65     10   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     F    10_D     F    10_D     21   25   65     10   19   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     N    11_D     N    11_D     21   25   65     11   19   26   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     M    12_D     M    12_D     21   25   65     11   19   26   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     M    13_D     M    13_D     21   25   65     11   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     F    14_D     F    14_D     21   25   65     11   19   26   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     M    15_D     M    15_D     21   25   65     11   19   25   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     L    16_D     L    16_D     21   25   65      6   19   26   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     L    17_D     L    17_D     21   25   65     11   19   26   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     W    18_D     W    18_D     21   25   65     11   19   24   32   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     R    19_D     R    19_D     21   25   65     11   18   24   31   40   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     V    20_D     V    20_D     21   25   65      6   19   26   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     F    21_D     F    21_D     21   25   65      6   19   26   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     R    22_D     R    22_D     21   25   65      4   12   25   31   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     S    23_D     S    23_D     21   25   65      4   15   26   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     Q    24_D     Q    24_D     21   25   65      4   13   26   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     R    25_D     R    25_D     21   25   65      3    3   24   32   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     I    26_D     I    26_D      3   25   65      3   10   23   30   34   41   47   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     D    27_D     D    27_D      3    5   65      3    3    3    6    9   14   28   40   44   47   51   55   56   57   58   60   61   61   62   64 
LCS_GDT     A    28_D     A    28_D      4   29   65      3    3    4    4    5    8   13   14   18   38   47   51   56   57   58   60   61   61   62   64 
LCS_GDT     N    29_D     N    29_D      4   29   65      3    3    4   11   26   43   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     N    30_D     N    30_D     25   29   65     12   21   28   31   39   44   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     V    31_D     V    31_D     25   29   65     10   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     E    32_D     E    32_D     25   29   65     14   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     L    33_D     L    33_D     25   29   65     14   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     I    34_D     I    34_D     25   29   65     14   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     K    35_D     K    35_D     25   29   65     14   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     F    36_D     F    36_D     25   29   65     14   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     N    37_D     N    37_D     25   29   65     14   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     I    38_D     I    38_D     25   29   65     14   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     R    39_D     R    39_D     25   29   65     14   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     V    40_D     V    40_D     25   29   65     14   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     L    41_D     L    41_D     25   29   65     14   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     D    42_D     D    42_D     25   29   65     14   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     W    43_D     W    43_D     25   29   65     14   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     I    44_D     I    44_D     25   29   65     14   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     M    45_D     M    45_D     25   29   65     14   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     A    46_D     A    46_D     25   29   65     14   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     E    47_D     E    47_D     25   29   65     10   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     A    48_D     A    48_D     25   29   65     10   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     D    49_D     D    49_D     25   29   65     10   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     N    50_D     N    50_D     25   29   65      7   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     D    51_D     D    51_D     25   29   65      6   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     L    52_D     L    52_D     25   29   65      6   19   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     C    53_D     C    53_D     25   29   65      7   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     Y    54_D     Y    54_D     25   29   65      7   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     F    55_D     F    55_D     25   29   65      4   21   28   37   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     I    56_D     I    56_D     21   29   65      3    6   20   29   42   46   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     G    57_D     G    57_D      4   29   65      3    4    5   10   22   33   44   50   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     T    58_D     T    58_D      4   29   65      3    9   23   30   35   43   49   52   54   55   55   56   56   57   58   60   61   61   62   64 
LCS_GDT     H    59_D     H    59_D      4    9   65      0   16   23   28   31   38   39   42   46   49   54   56   56   57   58   60   61   61   62   64 
LCS_GDT     D    60_D     D    60_D      4    9   65      3    4    5    7    8    8   12   21   31   36   43   48   50   54   57   60   61   61   62   64 
LCS_GDT     K    61_D     K    61_D      4    9   65      3    4    5    7    8    8   10   11   13   19   25   29   32   33   39   42   44   50   59   63 
LCS_GDT     C    62_D     C    62_D      4    9   65      3    4    5    7   10   13   14   16   22   28   29   32   35   40   42   48   51   58   62   64 
LCS_GDT     E    63_D     E    63_D      4    9   65      3    4    4    7    8   12   17   19   25   32   38   40   45   51   56   59   61   61   62   64 
LCS_GDT     N    64_D     N    64_D      4    9   65      3    4    5    7    8    8   10   24   30   32   38   42   51   54   58   60   61   61   62   64 
LCS_GDT     P    65_D     P    65_D      4    6   65      3    4    4    5    5   10   13   18   19   24   27   33   43   51   53   58   59   61   62   64 
LCS_GDT     K    66_D     K    66_D      4    6   65      3    4    4    5    7    8   10   15   20   24   30   38   42   49   52   54   56   58   60   64 
LCS_GDT     E    67_D     E    67_D      3   12   39      3    3    3    5    5   10   14   18   19   21   22   25   29   34   39   42   47   50   51   54 
LCS_GDT     Q    68_D     Q    68_D      3   15   23      0    3    6   12   14   15   16   18   19   21   22   25   28   31   34   40   44   48   50   51 
LCS_GDT     W    69_D     W    69_D     11   15   23      4    8   11   12   14   15   16   18   19   21   22   26   30   34   39   42   44   48   50   55 
LCS_GDT     V    70_D     V    70_D     11   15   23      4    9   11   12   14   15   16   18   19   21   22   26   30   34   39   42   44   48   50   55 
LCS_GDT     A    71_D     A    71_D     11   15   23      4    9   11   12   14   15   16   18   19   21   22   26   30   34   39   42   44   48   50   51 
LCS_GDT     N    72_D     N    72_D     11   15   23      4    9   11   12   14   15   16   18   19   21   22   26   30   34   39   42   44   48   50   55 
LCS_GDT     Y    73_D     Y    73_D     11   15   23      4    9   11   12   14   15   16   18   19   21   22   26   30   34   39   42   44   48   50   55 
LCS_GDT     Q    74_D     Q    74_D     11   15   23      5    9   11   12   14   15   16   18   19   21   22   26   30   34   39   42   44   48   50   55 
LCS_GDT     N    75_D     N    75_D     11   15   23      5    9   11   12   14   15   16   18   19   21   22   25   29   34   37   40   44   48   50   55 
LCS_GDT     L    76_D     L    76_D     11   15   23      5    9   11   12   14   15   16   18   19   21   22   25   28   31   35   43   44   48   50   55 
LCS_GDT     N    77_D     N    77_D     11   15   23      5    9   11   12   14   15   16   18   19   21   22   25   30   37   42   45   47   48   50   55 
LCS_GDT     N    78_D     N    78_D     11   15   23      5    9   11   12   14   15   16   18   19   21   22   25   28   37   42   45   47   48   50   55 
LCS_GDT     V    79_D     V    79_D     11   15   23      4    6   11   12   14   15   16   18   19   21   22   25   28   29   31   33   38   43   49   55 
LCS_GDT     V    80_D     V    80_D     10   15   23      4    4    9   12   14   15   16   18   19   21   22   25   28   37   42   45   47   48   50   55 
LCS_GDT     F    81_D     F    81_D      6   15   28      3    4    7    9   11   14   15   15   19   23   31   34   35   37   42   45   47   48   49   55 
LCS_GDT     T    82_D     T    82_D      6   15   30      3    4    9   11   11   14   16   18   20   27   31   34   35   37   42   45   47   48   50   55 
LCS_GDT     N    83_D     N    83_D      4    4   30      3    4    4    5    6   12   12   17   21   28   31   34   35   37   42   45   47   48   50   55 
LCS_GDT     K    84_D     K    84_D      4    4   30      3    4    4    5    6   10   11   16   21   28   31   34   35   37   42   45   47   48   50   55 
LCS_GDT     E    85_D     E    85_D      3    4   30      3    3    4    4    4    8   10   12   16   21   24   28   31   37   42   45   47   48   50   55 
LCS_GDT     L    86_D     L    86_D      3    6   30      3    3    4    6    7    8   13   15   18   21   24   28   31   37   42   45   47   48   50   55 
LCS_GDT     E    87_D     E    87_D      3    6   30      3    4    5    7   10   13   14   16   19   21   23   26   30   33   42   45   47   48   50   55 
LCS_GDT     D    88_D     D    88_D      3    6   30      3    4    5    7   10   13   14   16   19   21   23   26   30   37   42   45   47   48   50   55 
LCS_GDT     I    89_D     I    89_D      3    6   37      3    4    5    7   10   13   14   16   19   21   24   29   33   37   42   45   47   48   50   55 
LCS_GDT     Y    90_D     Y    90_D      3    6   37      3    3    3    4    5    8   14   16   19   21   22   26   30   33   42   45   47   48   50   55 
LCS_GDT     D    91_D     D    91_D      4    6   37      4    4    4    4    5    8   14   16   19   21   22   26   30   37   42   45   47   48   49   55 
LCS_GDT     L    92_D     L    92_D      4    5   37      4    4    4    4    4    6    7    9   14   17   20   23   30   33   42   44   47   48   50   55 
LCS_GDT     S    93_D     S    93_D      4    5   37      4    4    4    4    4    6    7    9   12   17   19   23   30   37   42   45   47   48   50   55 
LCS_GDT     N    94_D     N    94_D      4    5   37      4    4    4    4    5   10   14   16   24   28   31   34   35   37   42   45   47   48   50   55 
LCS_GDT     K    95_D     K    95_D      5   30   37      4    5    8   10   13   17   28   31   31   31   32   34   35   37   42   45   47   48   50   55 
LCS_GDT     E    96_D     E    96_D      5   30   37      4    5    8   10   15   21   28   31   31   31   32   34   35   37   42   45   47   48   50   55 
LCS_GDT     E    97_D     E    97_D     22   30   37      4    5   16   25   28   28   29   31   31   31   32   34   35   37   42   45   47   48   50   55 
LCS_GDT     T    98_D     T    98_D     26   30   37      5   16   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   50   55 
LCS_GDT     K    99_D     K    99_D     26   30   37      8   16   22   26   28   28   29   31   31   31   32   34   35   36   42   45   47   48   50   55 
LCS_GDT     E   100_D     E   100_D     26   30   37      5   16   22   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   50   56 
LCS_GDT     V   101_D     V   101_D     26   30   37      6   22   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   54   56 
LCS_GDT     L   102_D     L   102_D     26   30   37     12   22   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   50   55 
LCS_GDT     K   103_D     K   103_D     26   30   37     12   21   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   50   55 
LCS_GDT     K   104_D     K   104_D     26   30   37     12   22   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   49   54   56 
LCS_GDT     F   105_D     F   105_D     26   30   37     12   22   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   51   56 
LCS_GDT     K   106_D     K   106_D     26   30   37     12   22   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   50   55 
LCS_GDT     E   107_D     E   107_D     26   30   37     12   22   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   50   55 
LCS_GDT     K   108_D     K   108_D     26   30   37     12   22   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   50   55 
LCS_GDT     V   109_D     V   109_D     26   30   37     10   22   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   50   55 
LCS_GDT     N   110_D     N   110_D     26   30   37     12   22   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   50   55 
LCS_GDT     Q   111_D     Q   111_D     26   30   37     12   22   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   50   55 
LCS_GDT     F   112_D     F   112_D     26   30   37     12   22   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   50   55 
LCS_GDT     Y   113_D     Y   113_D     26   30   37     12   22   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   50   55 
LCS_GDT     R   114_D     R   114_D     26   30   37     12   22   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   49   55 
LCS_GDT     H   115_D     H   115_D     26   30   37     10   22   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   48   50 
LCS_GDT     A   116_D     A   116_D     26   30   37      8   22   24   26   28   28   29   31   31   31   32   34   35   36   42   45   47   48   48   49 
LCS_GDT     F   117_D     F   117_D     26   30   37      8   22   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   48   51 
LCS_GDT     D   118_D     D   118_D     26   30   37     10   22   24   26   28   28   29   31   31   31   32   34   35   37   42   45   47   48   48   49 
LCS_GDT     I   119_D     I   119_D     26   30   37     10   22   24   26   28   28   29   31   31   31   32   34   35   36   39   45   47   48   48   49 
LCS_GDT     I   120_D     I   120_D     26   30   37     10   22   24   26   28   28   29   31   31   31   32   34   35   36   38   44   47   48   48   49 
LCS_GDT     N   121_D     N   121_D     26   30   37      4   22   24   26   28   28   29   31   31   31   32   34   35   36   42   45   47   48   48   49 
LCS_GDT     K   122_D     K   122_D     26   30   37      8   22   24   26   28   28   29   31   31   31   32   34   35   36   39   45   47   48   48   49 
LCS_GDT     Y   123_D     Y   123_D     26   30   37      8   22   24   26   28   28   29   31   31   31   32   34   35   36   37   38   42   46   48   49 
LCS_GDT     G   124_D     G   124_D     25   30   37      3    4   12   23   28   28   29   31   31   31   32   34   35   36   39   45   47   48   48   49 
LCS_GDT     L   125_D     L   125_D      4   30   37      3    3    4    5   16   23   29   31   31   31   32   34   35   37   42   45   47   48   48   49 
LCS_AVERAGE  LCS_A:  24.18  (  14.03   18.37   40.13 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     14     22     28     37     42     46     49     52     54     55     55     56     56     57     58     60     61     61     62     64 
GDT PERCENT_AT  11.29  17.74  22.58  29.84  33.87  37.10  39.52  41.94  43.55  44.35  44.35  45.16  45.16  45.97  46.77  48.39  49.19  49.19  50.00  51.61
GDT RMS_LOCAL    0.32   0.67   0.96   1.33   1.51   1.70   1.94   2.19   2.32   2.42   2.42   2.65   2.65   2.83   3.03   3.65   3.96   3.96   4.21   4.75
GDT RMS_ALL_AT  23.58  19.81  23.76  24.20  24.28  24.29  24.42  24.48  24.50  24.52  24.52  24.74  24.74  24.55  24.79  25.26  25.51  25.51  25.56  25.75

# 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    36_D      F    36_D
#   possible swapping detected:  E    47_D      E    47_D
#   possible swapping detected:  D    49_D      D    49_D
#   possible swapping detected:  Y    54_D      Y    54_D
#   possible swapping detected:  Y    73_D      Y    73_D
#   possible swapping detected:  F    81_D      F    81_D
#   possible swapping detected:  E    85_D      E    85_D
#   possible swapping detected:  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   113_D      Y   113_D
#   possible swapping detected:  F   117_D      F   117_D
#   possible swapping detected:  D   118_D      D   118_D

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     2_D      D     2_D     6.372     0    0.611   1.209     8.076   20.000   16.786
LGA    K     3_D      K     3_D     4.955     0    0.097   1.073     7.479   34.881   30.053
LGA    E     4_D      E     4_D     2.761     0    0.040   0.443     3.634   55.595   59.206
LGA    I     5_D      I     5_D     3.664     0    0.020   1.186     5.810   48.333   41.667
LGA    A     6_D      A     6_D     3.965     0    0.046   0.053     4.625   48.452   45.048
LGA    K     7_D      K     7_D     2.316     0    0.031   0.697     2.850   69.048   70.317
LGA    E     8_D      E     8_D     1.056     0    0.059   1.287     4.670   83.690   68.201
LGA    I     9_D      I     9_D     1.671     0    0.023   0.132     2.586   77.143   70.000
LGA    F    10_D      F    10_D     1.193     0    0.027   0.572     2.033   85.952   79.221
LGA    N    11_D      N    11_D     0.539     0    0.028   0.896     3.429   92.857   85.476
LGA    M    12_D      M    12_D     1.198     0    0.048   0.813     3.755   85.952   69.167
LGA    M    13_D      M    13_D     0.713     0    0.046   0.983     7.143   95.238   70.417
LGA    F    14_D      F    14_D     1.528     0    0.105   1.218     3.123   75.238   69.004
LGA    M    15_D      M    15_D     2.183     0    0.039   1.258     7.906   68.810   50.714
LGA    L    16_D      L    16_D     1.231     0    0.082   1.076     3.630   81.429   75.595
LGA    L    17_D      L    17_D     1.151     0    0.020   1.043     4.954   79.405   67.083
LGA    W    18_D      W    18_D     2.871     0    0.058   1.124     8.610   57.262   29.422
LGA    R    19_D      R    19_D     3.269     0    0.023   1.075    11.405   53.571   28.528
LGA    V    20_D      V    20_D     1.048     0    0.068   0.133     1.778   79.286   82.789
LGA    F    21_D      F    21_D     1.863     0    0.039   1.054     5.304   70.952   54.069
LGA    R    22_D      R    22_D     2.793     0    0.136   1.595    13.897   59.167   29.134
LGA    S    23_D      S    23_D     1.445     0    0.244   0.647     1.919   79.286   78.571
LGA    Q    24_D      Q    24_D     1.410     0    0.579   1.403     4.658   71.429   60.794
LGA    R    25_D      R    25_D     2.400     0    0.565   1.225    12.117   73.095   34.113
LGA    I    26_D      I    26_D     4.877     0    0.575   1.081     9.618   31.786   19.107
LGA    D    27_D      D    27_D     8.170     0    0.583   0.502    11.528    6.905    3.810
LGA    A    28_D      A    28_D     8.562     0    0.161   0.205     9.971   10.119    8.190
LGA    N    29_D      N    29_D     4.514     0    0.236   0.898     6.946   50.000   36.548
LGA    N    30_D      N    30_D     3.405     0    0.601   1.309     8.443   53.571   33.869
LGA    V    31_D      V    31_D     2.233     0    0.051   1.071     4.353   64.881   58.776
LGA    E    32_D      E    32_D     2.227     0    0.080   0.915     3.385   66.786   62.328
LGA    L    33_D      L    33_D     2.104     0    0.035   1.417     6.093   68.810   54.702
LGA    I    34_D      I    34_D     1.511     0    0.026   0.646     2.977   79.405   74.167
LGA    K    35_D      K    35_D     0.524     0    0.020   1.372     8.489   90.476   62.963
LGA    F    36_D      F    36_D     0.960     0    0.044   1.514     7.791   90.476   55.152
LGA    N    37_D      N    37_D     0.868     0    0.079   0.159     1.884   90.476   84.881
LGA    I    38_D      I    38_D     0.903     0    0.044   0.611     2.624   90.476   82.976
LGA    R    39_D      R    39_D     0.610     0    0.067   0.912     5.875   88.214   67.403
LGA    V    40_D      V    40_D     0.403     0    0.062   0.086     0.470  100.000  100.000
LGA    L    41_D      L    41_D     0.929     0    0.023   0.146     1.605   85.952   82.619
LGA    D    42_D      D    42_D     1.745     0    0.057   0.753     2.379   75.000   71.905
LGA    W    43_D      W    43_D     1.394     0    0.024   0.497     3.341   79.286   71.497
LGA    I    44_D      I    44_D     0.880     0    0.057   0.638     1.853   83.690   84.881
LGA    M    45_D      M    45_D     1.721     0    0.044   0.916     2.939   72.976   72.024
LGA    A    46_D      A    46_D     2.126     0    0.048   0.049     2.254   68.810   68.000
LGA    E    47_D      E    47_D     1.388     0    0.047   1.029     3.463   79.286   71.481
LGA    A    48_D      A    48_D     0.935     0    0.056   0.063     1.264   85.952   85.048
LGA    D    49_D      D    49_D     2.083     0    0.076   0.969     2.458   66.786   68.869
LGA    N    50_D      N    50_D     2.215     0    0.048   1.198     2.680   66.786   66.964
LGA    D    51_D      D    51_D     1.257     0    0.059   0.060     2.230   81.429   76.190
LGA    L    52_D      L    52_D     1.123     0    0.078   0.136     2.926   83.690   74.286
LGA    C    53_D      C    53_D     2.322     0    0.082   0.822     5.028   64.881   58.413
LGA    Y    54_D      Y    54_D     2.560     0    0.078   1.482    11.477   60.952   32.222
LGA    F    55_D      F    55_D     1.762     0    0.475   1.646     8.166   75.119   46.710
LGA    I    56_D      I    56_D     2.743     0    0.527   0.486     4.461   59.048   52.083
LGA    G    57_D      G    57_D     4.576     0    0.314   0.314     4.576   45.714   45.714
LGA    T    58_D      T    58_D     4.507     0    0.085   0.349     8.184   24.881   25.102
LGA    H    59_D      H    59_D     9.259     0    0.617   1.306    10.755    2.857    2.619
LGA    D    60_D      D    60_D    12.092     0    0.297   0.379    15.893    0.000    0.000
LGA    K    61_D      K    61_D    15.204     0    0.599   0.860    16.865    0.000    0.000
LGA    C    62_D      C    62_D    15.555     0    0.071   0.686    15.555    0.000    0.000
LGA    E    63_D      E    63_D    15.006     0    0.615   0.882    19.415    0.000    0.000
LGA    N    64_D      N    64_D    13.250     0    0.014   1.185    14.772    0.000    0.000
LGA    P    65_D      P    65_D    13.273     0    0.642   0.586    15.951    0.000    0.000
LGA    K    66_D      K    66_D    15.292     0    0.223   1.574    17.869    0.000    0.000
LGA    E    67_D      E    67_D    20.198     0    0.461   1.118    22.628    0.000    0.000
LGA    Q    68_D      Q    68_D    22.051     0    0.533   1.553    28.557    0.000    0.000
LGA    W    69_D      W    69_D    20.880     0    0.093   1.193    23.815    0.000    0.000
LGA    V    70_D      V    70_D    26.754     0    0.028   1.117    29.402    0.000    0.000
LGA    A    71_D      A    71_D    29.598     0    0.042   0.057    30.221    0.000    0.000
LGA    N    72_D      N    72_D    25.630     0    0.033   0.755    27.001    0.000    0.000
LGA    Y    73_D      Y    73_D    27.964     0    0.058   1.487    31.096    0.000    0.000
LGA    Q    74_D      Q    74_D    33.780     0    0.092   1.526    37.010    0.000    0.000
LGA    N    75_D      N    75_D    32.029     0    0.107   0.186    33.145    0.000    0.000
LGA    L    76_D      L    76_D    29.587     0    0.057   0.899    32.185    0.000    0.000
LGA    N    77_D      N    77_D    35.316     0    0.171   1.564    39.306    0.000    0.000
LGA    N    78_D      N    78_D    38.389     0    0.110   0.110    42.493    0.000    0.000
LGA    V    79_D      V    79_D    34.232     0    0.043   0.160    35.293    0.000    0.000
LGA    V    80_D      V    80_D    32.107     0    0.681   0.671    36.007    0.000    0.000
LGA    F    81_D      F    81_D    35.169     0    0.508   1.290    39.229    0.000    0.000
LGA    T    82_D      T    82_D    41.279     0    0.673   0.589    42.524    0.000    0.000
LGA    N    83_D      N    83_D    43.357     0    0.237   1.124    48.874    0.000    0.000
LGA    K    84_D      K    84_D    44.469     0    0.596   1.255    49.058    0.000    0.000
LGA    E    85_D      E    85_D    40.397     0    0.563   1.227    42.157    0.000    0.000
LGA    L    86_D      L    86_D    37.478     0    0.610   1.057    38.707    0.000    0.000
LGA    E    87_D      E    87_D    41.727     0    0.629   1.609    47.252    0.000    0.000
LGA    D    88_D      D    88_D    40.238     0    0.371   0.477    44.938    0.000    0.000
LGA    I    89_D      I    89_D    33.732     0    0.289   1.324    36.205    0.000    0.000
LGA    Y    90_D      Y    90_D    35.451     0    0.575   1.343    38.276    0.000    0.000
LGA    D    91_D      D    91_D    40.593     0    0.654   0.567    41.953    0.000    0.000
LGA    L    92_D      L    92_D    39.803     0    0.056   1.447    43.182    0.000    0.000
LGA    S    93_D      S    93_D    34.798     0    0.422   0.696    36.688    0.000    0.000
LGA    N    94_D      N    94_D    34.783     0    0.146   1.198    37.736    0.000    0.000
LGA    K    95_D      K    95_D    34.651     0    0.640   1.204    40.191    0.000    0.000
LGA    E    96_D      E    96_D    32.795     0    0.039   1.160    38.714    0.000    0.000
LGA    E    97_D      E    97_D    25.724     0    0.087   1.185    28.137    0.000    0.000
LGA    T    98_D      T    98_D    27.209     0    0.057   0.140    28.741    0.000    0.000
LGA    K    99_D      K    99_D    32.465     0    0.026   0.485    42.052    0.000    0.000
LGA    E   100_D      E   100_D    28.363     0    0.024   1.090    29.485    0.000    0.000
LGA    V   101_D      V   101_D    22.932     0    0.036   0.101    24.779    0.000    0.000
LGA    L   102_D      L   102_D    28.049     0    0.040   1.395    31.281    0.000    0.000
LGA    K   103_D      K   103_D    31.609     0    0.066   1.032    35.146    0.000    0.000
LGA    K   104_D      K   104_D    25.953     0    0.042   1.281    27.613    0.000    0.000
LGA    F   105_D      F   105_D    24.274     0    0.030   1.370    26.589    0.000    0.000
LGA    K   106_D      K   106_D    31.264     0    0.020   0.991    41.945    0.000    0.000
LGA    E   107_D      E   107_D    32.213     0    0.020   0.962    34.357    0.000    0.000
LGA    K   108_D      K   108_D    26.313     0    0.053   0.571    27.957    0.000    0.000
LGA    V   109_D      V   109_D    28.523     0    0.071   0.123    30.934    0.000    0.000
LGA    N   110_D      N   110_D    35.115     0    0.044   0.355    39.091    0.000    0.000
LGA    Q   111_D      Q   111_D    32.987     0    0.046   0.972    33.121    0.000    0.000
LGA    F   112_D      F   112_D    28.569     0    0.033   1.067    30.844    0.000    0.000
LGA    Y   113_D      Y   113_D    33.960     0    0.058   0.399    36.711    0.000    0.000
LGA    R   114_D      R   114_D    38.780     0    0.048   0.372    42.637    0.000    0.000
LGA    H   115_D      H   115_D    34.820     0    0.045   1.094    36.037    0.000    0.000
LGA    A   116_D      A   116_D    33.599     0    0.024   0.052    36.703    0.000    0.000
LGA    F   117_D      F   117_D    40.292     0    0.068   0.271    43.190    0.000    0.000
LGA    D   118_D      D   118_D    42.795     0    0.034   1.062    44.962    0.000    0.000
LGA    I   119_D      I   119_D    39.070     0    0.070   1.356    41.164    0.000    0.000
LGA    I   120_D      I   120_D    41.540     0    0.081   0.805    45.041    0.000    0.000
LGA    N   121_D      N   121_D    48.195     0    0.045   0.123    50.350    0.000    0.000
LGA    K   122_D      K   122_D    48.083     0    0.028   1.157    51.620    0.000    0.000
LGA    Y   123_D      Y   123_D    44.746     0    0.139   1.361    45.380    0.000    0.000
LGA    G   124_D      G   124_D    45.545     0    0.175   0.175    47.159    0.000    0.000
LGA    L   125_D      L   125_D    50.352     0    0.487   1.537    52.822    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      124     496    496  100.00    1059   1059  100.00               124
SUMMARY(RMSD_GDC):    14.386         14.363                 15.274           31.383   26.830

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  124    4.0     52    2.19    34.476    31.889     2.275

LGA_LOCAL      RMSD:   2.185  Number of atoms:   52  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.475  Number of assigned atoms:  124 
Std_ASGN_ATOMS RMSD:  14.386  Standard rmsd on all 124 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.938103 * X  +  -0.332662 * Y  +   0.096430 * Z  +  46.482243
  Y_new =   0.067461 * X  +  -0.448574 * Y  +  -0.891196 * Z  + -17.432331
  Z_new =   0.339723 * X  +  -0.829528 * Y  +   0.443251 * Z  +  -3.816617 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.069804 -0.346623 -1.080055   [DEG:  175.8868  -19.8600  -61.8826 ]
ZXZ:  0.107784  1.111574  2.752891   [DEG:    6.1756   63.6885  157.7290 ]
 
# END of job
