
#######################################################
#                                                     #
#                        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  124 ( 1034),  selected  104 , name one
# Molecule2: number of CA atoms  104 (  843),  selected  104 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    53      34_A - 86_A        4.99    27.75
  LONGEST_CONTINUOUS_SEGMENT:    53      35_A - 87_A        4.89    27.67
  LCS_AVERAGE:     41.37

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      57_A - 86_A        1.63    27.67
  LCS_AVERAGE:     17.50

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      59_A - 85_A        0.70    27.89
  LCS_AVERAGE:     12.98

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     K    17_A     K    17_A      3    3   12      3    3    3    3    3    3    3    5    5    7   10   12   14   19   24   26   28   29   29   32 
LCS_GDT     E    18_A     E    18_A      3    3   12      3    3    3    5    5    8    9   10   10   11   12   15   19   20   24   26   28   29   32   33 
LCS_GDT     E    19_A     E    19_A      3    8   13      3    3    3    5    7    8    9   10   10   13   14   16   19   20   24   26   29   38   38   48 
LCS_GDT     M    20_A     M    20_A      7    8   43      3    6    7    7    7    8    8    9   10   11   13   15   24   26   26   30   34   41   43   49 
LCS_GDT     N    21_A     N    21_A      7    8   44      3    6    7    7    8    9    9   10   13   17   21   25   32   36   40   45   51   53   57   63 
LCS_GDT     K    22_A     K    22_A      7    8   44      4    6    7    7   10   14   18   23   29   35   42   45   49   54   59   61   62   64   65   66 
LCS_GDT     V    23_A     V    23_A      7    8   52      4    6    7   10   18   25   31   33   36   39   43   48   54   56   59   61   62   64   65   66 
LCS_GDT     H    24_A     H    24_A      7   17   52      3    5    7    7   18   27   31   33   36   40   43   48   54   56   59   61   62   64   65   66 
LCS_GDT     N    25_A     N    25_A     14   17   52      4   13   18   20   23   25   28   29   32   35   40   48   54   56   58   61   62   64   65   66 
LCS_GDT     I    26_A     I    26_A     14   17   52      6   16   19   21   24   27   31   33   36   38   43   48   54   56   59   61   62   64   65   66 
LCS_GDT     K    27_A     K    27_A     14   17   52      6   16   19   21   24   27   31   33   36   38   42   48   54   56   59   61   62   64   65   66 
LCS_GDT     C    28_A     C    28_A     14   17   52      6   16   19   21   24   27   31   33   36   39   43   48   54   56   59   61   62   64   65   66 
LCS_GDT     H    29_A     H    29_A     14   17   52      5   16   19   21   24   27   31   33   36   39   42   47   54   56   59   61   62   64   65   66 
LCS_GDT     F    30_A     F    30_A     14   17   52      6   16   19   21   24   27   31   33   36   39   43   48   54   56   59   61   62   64   65   66 
LCS_GDT     D    31_A     D    31_A     14   17   52      6   16   19   21   24   27   31   33   36   39   42   47   54   56   59   61   62   64   65   66 
LCS_GDT     N    32_A     N    32_A     14   17   52      6   13   19   21   24   27   31   33   36   39   42   47   54   56   59   61   62   64   65   66 
LCS_GDT     C    33_A     C    33_A     14   17   52      6   16   19   21   24   27   31   33   36   39   42   48   54   56   59   61   62   64   65   66 
LCS_GDT     N    34_A     N    34_A     14   17   53      4   16   19   21   24   27   31   33   36   39   42   47   54   56   59   61   62   64   65   66 
LCS_GDT     R    35_A     R    35_A     14   17   53      6   16   19   21   24   27   31   33   36   39   43   48   54   56   59   61   62   64   65   66 
LCS_GDT     K    36_A     K    36_A     14   17   53      4   16   19   21   24   27   31   33   36   38   43   48   54   56   59   61   62   64   65   66 
LCS_GDT     I    37_A     I    37_A     14   17   53      6   16   19   21   24   27   31   33   36   40   43   48   54   56   59   61   62   64   65   66 
LCS_GDT     H    38_A     H    38_A     14   17   53      6   12   19   21   24   27   31   33   36   40   43   48   54   56   59   61   62   64   65   66 
LCS_GDT     W    39_A     W    39_A      7   17   53      3    7   10   16   24   27   31   33   37   40   43   48   54   56   59   61   62   64   65   66 
LCS_GDT     K    40_A     K    40_A      7   17   53      3    6   10   17   24   27   33   38   41   42   43   48   54   56   59   61   62   64   65   66 
LCS_GDT     I    41_A     I    41_A      3   10   53      6    7   11   21   29   33   35   38   41   43   44   46   51   56   59   61   62   64   65   66 
LCS_GDT     R    42_A     R    42_A      3   12   53      3    3    3    3    4   19   22   30   40   43   44   45   49   55   59   61   62   64   65   66 
LCS_GDT     Y    43_A     Y    43_A      3   15   53      3    4   10   14   18   25   31   33   40   43   44   45   49   54   59   61   62   64   65   66 
LCS_GDT     G    44_A     G    44_A      3   15   53      3    4    5    5    7    9   12   17   24   30   43   44   45   46   49   53   62   62   64   66 
LCS_GDT     K    45_A     K    45_A      9   17   53      6    7   11   21   29   33   35   38   41   43   44   46   51   56   59   61   62   64   65   66 
LCS_GDT     L    46_A     L    46_A     11   17   53      7    7   11   19   29   33   35   38   41   43   44   47   52   56   59   61   62   64   65   66 
LCS_GDT     R    47_A     R    47_A     11   17   53      7   11   19   21   24   27   35   38   41   43   44   47   52   56   59   61   62   64   65   66 
LCS_GDT     L    48_A     L    48_A     11   17   53      7    8   12   19   24   29   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     V    49_A     V    49_A     11   17   53      7    8   12   21   26   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     D    50_A     D    50_A     11   17   53      7   13   19   21   28   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     H    51_A     H    51_A     11   17   53      7   16   19   21   24   27   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     A    52_A     A    52_A     11   17   53      7   16   19   21   24   27   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     L    53_A     L    53_A     11   17   53      5   16   19   21   25   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     S    54_A     S    54_A     11   17   53      5   16   19   21   24   27   31   34   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     H    55_A     H    55_A     11   17   53      6   16   19   21   24   27   31   34   41   42   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     Q    56_A     Q    56_A     11   17   53      3   13   18   21   24   27   32   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     E    57_A     E    57_A      5   30   53      3    5   12   25   28   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     E    58_A     E    58_A      5   30   53      3    5   11   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     K    59_A     K    59_A     27   30   53      3   23   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     S    60_A     S    60_A     27   30   53     13   25   27   27   28   32   35   36   40   43   44   45   51   56   59   61   62   64   65   66 
LCS_GDT     I    61_A     I    61_A     27   30   53     13   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     D    62_A     D    62_A     27   30   53      9   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     C    63_A     C    63_A     27   30   53      4   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     Q    64_A     Q    64_A     27   30   53      6   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     K    65_A     K    65_A     27   30   53      9   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     C    66_A     C    66_A     27   30   53      8   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     E    67_A     E    67_A     27   30   53      8   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     Y    68_A     Y    68_A     27   30   53     12   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     S    69_A     S    69_A     27   30   53     13   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     C    70_A     C    70_A     27   30   53      3   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     Q    71_A     Q    71_A     27   30   53      6   25   27   27   29   33   35   38   41   43   44   47   54   56   59   61   62   64   65   66 
LCS_GDT     T    72_A     T    72_A     27   30   53      8   25   27   27   29   33   35   38   41   43   44   47   54   56   59   61   62   64   65   66 
LCS_GDT     T    73_A     T    73_A     27   30   53      5   24   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     R    74_A     R    74_A     27   30   53     11   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     Q    75_A     Q    75_A     27   30   53     13   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     M    76_A     M    76_A     27   30   53     13   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     R    77_A     R    77_A     27   30   53     13   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     Y    78_A     Y    78_A     27   30   53     13   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     H    79_A     H    79_A     27   30   53     13   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     Y    80_A     Y    80_A     27   30   53     13   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     K    81_A     K    81_A     27   30   53     13   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     K    82_A     K    82_A     27   30   53     13   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     I    83_A     I    83_A     27   30   53     13   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     H    84_A     H    84_A     27   30   53     13   25   27   27   29   33   35   38   41   43   44   48   54   56   59   61   62   64   65   66 
LCS_GDT     A    85_A     A    85_A     27   30   53     13   25   27   27   28   32   35   38   40   43   44   45   50   52   58   61   62   64   65   66 
LCS_GDT     N    86_A     N    86_A      6   30   53      4    5    7   14   27   27   30   33   38   41   43   43   45   48   57   61   62   64   65   66 
LCS_GDT     L    87_A     L    87_A      6    8   53      4    5    6    7    7    7    9   15   24   28   36   41   44   51   58   60   62   64   65   66 
LCS_GDT     K    88_A     K    88_A      6    8   52      4    5    6    7    7    7    8    9   10   10   11   20   23   29   31   32   37   41   45   51 
LCS_GDT     M    89_A     M    89_A      6    8   35      4    5    6    7    7    7    8    9    9   10   11   13   14   15   16   17   18   19   20   23 
LCS_GDT     E    90_A     E    90_A      6    8   14      3    5    6    7    7    7    8    9    9   10   11   13   14   15   16   17   18   19   23   28 
LCS_GDT     G    91_A     G    91_A      6    8   20      3    5    6    7    7    7    8    9    9   10   11   13   15   20   23   25   28   29   30   30 
LCS_GDT     F    92_A     F    92_A      4    8   26      3    4    5    7    7    7    8    9   10   17   19   21   23   25   26   27   28   29   30   30 
LCS_GDT     G    93_A     G    93_A      3    8   26      3    3    3    7    7    7    8   11   12   17   19   22   24   25   26   27   28   29   30   30 
LCS_GDT     I    94_A     I    94_A      3    5   26      3    3    3    4    5    9   11   16   17   18   20   22   24   25   26   27   28   29   30   30 
LCS_GDT     L    95_A     L    95_A      3    5   26      3    3    3    4    4    7   10   12   17   18   20   22   24   25   26   27   28   29   30   30 
LCS_GDT     N    96_A     N    96_A      4    6   26      3    4    4    4    6    7    9   11   13   15   18   22   24   25   26   27   28   29   30   30 
LCS_GDT     I    97_A     I    97_A      4    6   26      3    4    4    4    8   13   16   16   18   19   20   22   24   25   26   27   28   29   30   30 
LCS_GDT     P    98_A     P    98_A      4    6   26      3    4    4    4    6   13   16   16   18   19   20   22   24   25   26   27   28   30   33   33 
LCS_GDT     L    99_A     L    99_A      4    6   26      3    4    4    4    7   10   14   15   18   18   20   22   22   25   26   27   28   30   33   34 
LCS_GDT     Q   100_A     Q   100_A      4   14   26      3    3    4    4    6   10   14   15   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     N   101_A     N   101_A     13   17   26      3   11   12   13   14   15   17   18   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     T   102_A     T   102_A     13   17   26      8   11   12   13   14   15   17   18   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     K   103_A     K   103_A     13   17   26      8   11   12   13   14   15   17   18   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     F   104_A     F   104_A     13   17   26      6   11   12   13   14   15   17   18   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     S   105_A     S   105_A     13   17   26      8   11   12   13   14   15   17   18   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     D   106_A     D   106_A     13   17   26      8   11   12   13   14   15   17   18   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     V   107_A     V   107_A     13   17   26      8   11   12   13   14   15   17   18   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     W   108_A     W   108_A     13   17   26      8   11   12   13   14   15   17   18   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     N   109_A     N   109_A     13   17   26      8   11   12   13   14   15   17   18   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     K   110_A     K   110_A     13   17   26      8   11   12   13   14   15   17   18   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     C   111_A     C   111_A     13   17   26      7   11   12   13   14   15   17   18   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     F   112_A     F   112_A     13   17   26      7   11   12   13   14   15   17   18   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     G   113_A     G   113_A     13   17   26      3    3    8   13   14   15   17   18   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     D   114_A     D   114_A     13   17   26      3    3    8   13   14   14   17   18   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     Q   115_A     Q   115_A      3   17   26      3    3    4    4    6   15   17   18   18   19   21   22   24   25   26   27   28   29   31   34 
LCS_GDT     L   116_A     L   116_A      3   17   26      3    3    4    5   13   15   17   18   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     K   117_A     K   117_A      3   17   26      3    4    9   10   13   15   17   18   18   19   21   22   24   25   26   27   28   30   33   34 
LCS_GDT     T   118_A     T   118_A      3    3   26      3    3    3    3    5    6    8   11   16   19   21   22   22   23   25   27   28   30   33   34 
LCS_GDT     I   119_A     I   119_A      3    3   25      3    3    3    3    4    5   12   18   18   19   21   22   22   23   24   26   28   30   33   34 
LCS_GDT     G   120_A     G   120_A      3    3   25      2    3    3    3    3    4    4    4    8   19   21   22   22   22   24   25   28   30   33   34 
LCS_AVERAGE  LCS_A:  23.95  (  12.98   17.50   41.37 )

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     13     25     27     27     29     33     35     38     41     43     44     48     54     56     59     61     62     64     65     66 
GDT PERCENT_AT  12.50  24.04  25.96  25.96  27.88  31.73  33.65  36.54  39.42  41.35  42.31  46.15  51.92  53.85  56.73  58.65  59.62  61.54  62.50  63.46
GDT RMS_LOCAL    0.30   0.63   0.70   0.70   1.64   1.99   2.06   2.53   2.95   3.04   3.14   4.37   4.69   4.80   5.15   5.20   5.31   5.49   5.58   5.71
GDT RMS_ALL_AT  28.05  27.91  27.89  27.89  27.74  27.67  27.68  27.66  27.71  27.75  27.76  27.85  27.65  27.64  27.51  27.57  27.55  27.55  27.48  27.47

# Checking swapping
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  Y    80_A      Y    80_A
#   possible swapping detected:  F   104_A      F   104_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A    31.186     4    0.477   0.450    33.694    0.000    0.000
LGA    E    18_A      E    18_A    27.249     4    0.589   0.610    28.689    0.000    0.000
LGA    E    19_A      E    19_A    20.700     4    0.696   0.632    23.278    0.000    0.000
LGA    M    20_A      M    20_A    18.902     0    0.676   0.972    19.454    0.000    0.000
LGA    N    21_A      N    21_A    19.325     0    0.568   1.146    24.640    0.000    0.000
LGA    K    22_A      K    22_A    14.506     0    0.100   1.284    16.502    0.000    0.000
LGA    V    23_A      V    23_A    15.022     0    0.101   1.028    17.921    0.000    0.000
LGA    H    24_A      H    24_A    12.918     0    0.051   1.321    16.022    0.000    0.000
LGA    N    25_A      N    25_A    15.466     0    0.574   1.168    19.025    0.000    0.000
LGA    I    26_A      I    26_A    13.919     0    0.096   0.636    14.238    0.000    0.000
LGA    K    27_A      K    27_A    16.230     0    0.125   0.783    23.660    0.000    0.000
LGA    C    28_A      C    28_A    14.130     0    0.049   0.100    16.881    0.000    0.000
LGA    H    29_A      H    29_A    17.381     0    0.241   1.161    21.495    0.000    0.000
LGA    F    30_A      F    30_A    14.450     0    0.015   0.829    16.466    0.000    0.000
LGA    D    31_A      D    31_A    17.170     0    0.156   0.725    17.559    0.000    0.000
LGA    N    32_A      N    32_A    18.381     0    0.060   0.357    19.445    0.000    0.000
LGA    C    33_A      C    33_A    16.373     0    0.139   0.167    18.712    0.000    0.000
LGA    N    34_A      N    34_A    18.507     0    0.078   0.898    22.485    0.000    0.000
LGA    R    35_A      R    35_A    16.167     0    0.079   1.007    22.032    0.000    0.000
LGA    K    36_A      K    36_A    15.951     0    0.105   1.008    25.506    0.000    0.000
LGA    I    37_A      I    37_A    11.694     0    0.044   1.037    13.110    0.000    0.833
LGA    H    38_A      H    38_A    12.386     0    0.279   1.078    16.380    0.000    0.000
LGA    W    39_A      W    39_A    10.327     0    0.052   1.503    11.102    1.071    0.986
LGA    K    40_A      K    40_A     6.909     0    0.310   0.544    15.663   24.643   11.481
LGA    I    41_A      I    41_A     1.347     0    0.637   1.081     6.093   53.929   44.167
LGA    R    42_A      R    42_A     7.151     0    0.543   1.425    11.335   14.643    5.758
LGA    Y    43_A      Y    43_A     7.453     0    0.691   0.827     9.392    7.381   20.317
LGA    G    44_A      G    44_A     8.102     0    0.641   0.641     8.102   13.690   13.690
LGA    K    45_A      K    45_A     1.687     0    0.293   1.009     8.851   68.214   44.180
LGA    L    46_A      L    46_A     2.078     0    0.072   1.390     5.636   66.786   53.155
LGA    R    47_A      R    47_A     4.081     0    0.037   1.137     7.795   41.905   27.965
LGA    L    48_A      L    48_A     4.054     0    0.042   1.502     9.191   43.452   28.690
LGA    V    49_A      V    49_A     2.006     0    0.034   0.114     2.314   66.786   67.075
LGA    D    50_A      D    50_A     2.067     0    0.044   0.283     4.033   62.976   55.774
LGA    H    51_A      H    51_A     4.851     0    0.063   0.157     9.403   33.095   17.619
LGA    A    52_A      A    52_A     4.763     0    0.066   0.082     5.249   37.262   35.048
LGA    L    53_A      L    53_A     2.378     0    0.070   0.982     7.657   55.476   42.321
LGA    S    54_A      S    54_A     5.970     0    0.168   0.534     8.314   20.000   15.317
LGA    H    55_A      H    55_A     7.097     0    0.653   0.666    11.501   15.357    7.048
LGA    Q    56_A      Q    56_A     5.431     0    0.669   1.024     6.150   25.476   30.265
LGA    E    57_A      E    57_A     2.079     4    0.299   0.302     2.574   66.905   38.783
LGA    E    58_A      E    58_A     1.598     4    0.056   0.069     1.931   72.857   40.476
LGA    K    59_A      K    59_A     2.522     0    0.194   0.852     3.322   55.476   59.048
LGA    S    60_A      S    60_A     4.029     0    0.222   0.530     5.069   46.786   41.746
LGA    I    61_A      I    61_A     2.740     0    0.079   1.062     4.295   59.167   53.036
LGA    D    62_A      D    62_A     2.238     0    0.040   1.272     5.385   68.810   58.274
LGA    C    63_A      C    63_A     1.696     0    0.079   0.101     1.984   72.857   74.286
LGA    Q    64_A      Q    64_A     1.586     0    0.206   1.091     3.495   69.286   72.593
LGA    K    65_A      K    65_A     1.399     0    0.069   1.028     4.294   75.119   63.386
LGA    C    66_A      C    66_A     1.924     0    0.083   0.188     2.226   68.810   71.587
LGA    E    67_A      E    67_A     2.412     4    0.134   0.131     2.824   64.762   35.132
LGA    Y    68_A      Y    68_A     1.390     0    0.039   0.137     1.791   77.143   75.000
LGA    S    69_A      S    69_A     1.863     0    0.045   0.723     2.562   68.810   66.190
LGA    C    70_A      C    70_A     2.666     0    0.076   0.713     2.793   59.048   58.413
LGA    Q    71_A      Q    71_A     3.114     0    0.051   0.929     3.705   51.786   54.444
LGA    T    72_A      T    72_A     2.828     0    0.060   0.112     3.169   59.048   57.211
LGA    T    73_A      T    73_A     2.262     0    0.097   0.108     3.112   64.881   60.544
LGA    R    74_A      R    74_A     2.778     0    0.043   1.297     5.936   57.143   46.797
LGA    Q    75_A      Q    75_A     2.501     0    0.047   1.519     7.911   62.976   44.550
LGA    M    76_A      M    76_A     1.550     0    0.053   0.755     4.064   75.000   65.774
LGA    R    77_A      R    77_A     2.200     0    0.048   1.394     9.743   64.762   39.697
LGA    Y    78_A      Y    78_A     2.438     0    0.021   1.513     8.237   64.762   43.929
LGA    H    79_A      H    79_A     1.318     0    0.034   1.113     3.332   79.286   76.095
LGA    Y    80_A      Y    80_A     1.715     0    0.068   0.419     2.324   68.810   76.548
LGA    K    81_A      K    81_A     2.805     0    0.063   1.099     3.199   57.262   64.550
LGA    K    82_A      K    82_A     1.809     0    0.165   1.081     4.254   72.857   67.513
LGA    I    83_A      I    83_A     1.762     0    0.092   1.531     4.274   72.857   66.369
LGA    H    84_A      H    84_A     2.262     0    0.475   0.581     4.913   52.738   71.762
LGA    A    85_A      A    85_A     3.348     0    0.644   0.590     5.934   41.905   46.476
LGA    N    86_A      N    86_A     7.467     3    0.473   0.456     9.316   10.119    5.655
LGA    L    87_A      L    87_A    11.471     0    0.018   0.891    14.472    0.119    0.060
LGA    K    88_A      K    88_A    17.222     0    0.118   1.327    20.634    0.000    0.000
LGA    M    89_A      M    89_A    23.113     0    0.033   0.762    30.056    0.000    0.000
LGA    E    90_A      E    90_A    27.528     0    0.083   0.654    30.617    0.000    0.000
LGA    G    91_A      G    91_A    34.281     0    0.502   0.502    34.735    0.000    0.000
LGA    F    92_A      F    92_A    36.486     0    0.371   1.351    37.985    0.000    0.000
LGA    G    93_A      G    93_A    41.445     0    0.583   0.583    41.841    0.000    0.000
LGA    I    94_A      I    94_A    42.189     0    0.621   1.157    47.265    0.000    0.000
LGA    L    95_A      L    95_A    39.866     0    0.089   0.138    42.714    0.000    0.000
LGA    N    96_A      N    96_A    35.515     0    0.661   1.209    37.247    0.000    0.000
LGA    I    97_A      I    97_A    32.576     0    0.076   1.134    34.354    0.000    0.000
LGA    P    98_A      P    98_A    34.109     0    0.262   0.300    34.355    0.000    0.000
LGA    L    99_A      L    99_A    33.589     0    0.123   0.940    35.019    0.000    0.000
LGA    Q   100_A      Q   100_A    36.909     0    0.381   0.676    40.790    0.000    0.000
LGA    N   101_A      N   101_A    39.077     0    0.589   0.986    41.619    0.000    0.000
LGA    T   102_A      T   102_A    42.716     0    0.052   0.125    44.888    0.000    0.000
LGA    K   103_A      K   103_A    40.928     0    0.034   0.597    42.685    0.000    0.000
LGA    F   104_A      F   104_A    40.692     0    0.055   1.435    44.049    0.000    0.000
LGA    S   105_A      S   105_A    46.042     0    0.021   0.686    49.095    0.000    0.000
LGA    D   106_A      D   106_A    48.447     0    0.040   0.841    52.266    0.000    0.000
LGA    V   107_A      V   107_A    47.124     0    0.036   1.187    49.585    0.000    0.000
LGA    W   108_A      W   108_A    48.699     0    0.037   0.115    52.340    0.000    0.000
LGA    N   109_A      N   109_A    53.977     0    0.037   0.892    58.547    0.000    0.000
LGA    K   110_A      K   110_A    55.230     0    0.049   0.745    58.685    0.000    0.000
LGA    C   111_A      C   111_A    53.954     0    0.020   0.033    57.125    0.000    0.000
LGA    F   112_A      F   112_A    56.489     0    0.625   1.312    57.855    0.000    0.000
LGA    G   113_A      G   113_A    60.994     0    0.596   0.596    64.829    0.000    0.000
LGA    D   114_A      D   114_A    65.993     3    0.743   0.699    66.617    0.000    0.000
LGA    Q   115_A      Q   115_A    64.451     0    0.590   1.237    65.102    0.000    0.000
LGA    L   116_A      L   116_A    61.441     0    0.678   0.691    62.870    0.000    0.000
LGA    K   117_A      K   117_A    63.196     0    0.658   1.168    67.795    0.000    0.000
LGA    T   118_A      T   118_A    57.269     0    0.647   0.578    59.604    0.000    0.000
LGA    I   119_A      I   119_A    52.400     0    0.579   1.305    53.991    0.000    0.000
LGA    G   120_A      G   120_A    52.653     0    0.539   0.539    53.141    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     843    843  100.00               104
SUMMARY(RMSD_GDC):    22.609         22.609                 22.408           24.368   21.323

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0     38    2.53    36.298    31.543     1.447

LGA_LOCAL      RMSD:   2.527  Number of atoms:   38  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  27.663  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:  22.609  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.047302 * X  +   0.629442 * Y  +   0.775606 * Z  +  -2.340385
  Y_new =   0.599657 * X  +   0.638883 * Y  +  -0.481913 * Z  +  -1.776410
  Z_new =  -0.798858 * X  +   0.442303 * Y  +  -0.407670 * Z  +  39.286850 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.649515  0.925394  2.315471   [DEG:   94.5102   53.0212  132.6667 ]
ZXZ:  1.014835  1.990697 -1.065141   [DEG:   58.1458  114.0585  -61.0281 ]
 
# END of job
