
#######################################################
#                                                     #
#                        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  101 (  823),  selected   97 , name one
# Molecule2: number of CA atoms   97 (  780),  selected   97 , 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:    39      55_A - 93_A        4.93    20.90
  LONGEST_CONTINUOUS_SEGMENT:    39      56_A - 94_A        4.72    20.95
  LONGEST_CONTINUOUS_SEGMENT:    39      57_A - 95_A        4.89    20.82
  LCS_AVERAGE:     28.80

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      63_A - 92_A        1.95    21.25
  LCS_AVERAGE:     15.58

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      63_A - 87_A        1.00    21.85
  LCS_AVERAGE:     10.52

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   97
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     E     4_A     E     4_A      4    5   21      3    4    4    5    5    5    6    9   11   13   20   24   31   34   36   40   45   48   53   54 
LCS_GDT     I     5_A     I     5_A      4    5   21      3    4    4    5    5    6   11   13   18   22   25   28   32   34   36   40   45   48   53   54 
LCS_GDT     K     6_A     K     6_A      4    5   21      3    4    4    5    5    6    6    8   11   11   25   26   32   34   36   38   43   47   53   54 
LCS_GDT     G     7_A     G     7_A      4    5   21      3    4    4    5    5    6   12   18   23   24   27   28   32   32   35   36   39   45   49   53 
LCS_GDT     Y     8_A     Y     8_A      3    8   21      3    3    3    7    8   12   17   20   23   24   27   28   32   34   36   39   45   47   53   54 
LCS_GDT     E     9_A     E     9_A      4    9   21      3    4    6    9   16   18   19   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     Y    10_A     Y    10_A      4    9   21      3    5    8   12   16   18   19   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     Q    11_A     Q    11_A      6    9   21      3    5    6   10   16   18   19   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     L    12_A     L    12_A      6    9   21      3    5    8   10   15   18   19   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     Y    13_A     Y    13_A      6    9   21      3    5   10   12   16   18   19   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     V    14_A     V    14_A      6    9   21      3    5   10   12   16   18   19   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     Y    15_A     Y    15_A      6    9   21      3    5   10   12   16   18   19   20   22   23   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     A    16_A     A    16_A      6    9   21      3    5   10   12   16   18   19   20   22   23   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     S    17_A     S    17_A      6    9   21      3    5   10   12   16   18   19   20   22   23   26   28   32   34   36   40   45   48   53   54 
LCS_GDT     D    18_A     D    18_A      4    7   21      3    4    5   10   14   16   18   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     K    19_A     K    19_A      4    7   21      3    4    6    7    9   15   17   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     L    20_A     L    20_A      4    7   21      3    4    5    6    7    9   13   18   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     F    21_A     F    21_A      4    7   21      3    3    5    6    7    9   12   13   15   18   25   28   32   34   36   40   45   48   53   54 
LCS_GDT     R    22_A     R    22_A      4    7   21      3    3    4    5    7    9   12   13   14   16   19   23   25   32   36   40   45   48   53   54 
LCS_GDT     A    23_A     A    23_A      4    6   21      3    3    4    5    7    9   12   13   13   17   20   27   31   34   36   40   45   48   53   54 
LCS_GDT     D    24_A     D    24_A      4    6   21      3    3    4    5    6    9   10   11   12   14   18   22   25   32   34   40   45   48   53   54 
LCS_GDT     I    25_A     I    25_A      4    6   21      0    3    4    5    6    9   12   13   13   14   18   23   25   32   35   40   45   48   53   54 
LCS_GDT     S    26_A     S    26_A      4    5   21      0    3    4    5    5    9   12   13   13   15   19   27   29   34   36   40   45   48   53   54 
LCS_GDT     E    27_A     E    27_A      4    5   21      0    3    4    5    6    9   12   13   13   14   18   23   27   31   36   40   45   48   53   54 
LCS_GDT     D    28_A     D    28_A      5    5   21      4    4    5    5    5    6    9    9   11   13   17   22   25   27   32   40   44   48   53   54 
LCS_GDT     Y    29_A     Y    29_A      5    5   21      4    4    5    5    5    5    6    9   10   10   12   15   20   26   28   33   43   48   53   54 
LCS_GDT     K    30_A     K    30_A      5    5   21      4    4    5    5    5    5    5    9   10   10   14   15   19   28   31   39   45   48   53   54 
LCS_GDT     T    31_A     T    31_A      5    5   21      4    4    5    5    7    9   13   16   19   21   22   27   31   34   36   40   45   48   53   54 
LCS_GDT     R    32_A     R    32_A      5    7   21      3    4    5    5   10   12   17   19   20   22   24   27   31   34   36   40   45   48   53   54 
LCS_GDT     G    33_A     G    33_A      5    7   21      3    4    6   12   16   18   19   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     R    34_A     R    34_A      5    9   21      3    4    8   12   16   18   19   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     K    35_A     K    35_A      5    9   19      2    5    6    7   11   16   18   20   23   24   27   28   32   32   35   37   42   45   50   54 
LCS_GDT     L    36_A     L    36_A      5    9   19      0    4    5    5    7    8   16   20   23   24   27   28   32   32   35   37   42   45   50   53 
LCS_GDT     L    37_A     L    37_A      6    9   19      3    5   10   12   16   18   19   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     R    38_A     R    38_A      6    9   19      3    5   10   12   16   18   19   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     F    39_A     F    39_A      6    9   19      3    5    8   11   16   18   19   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     N    40_A     N    40_A      6    9   19      3    5   10   12   16   18   19   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     G    41_A     G    41_A      6    9   19      3    5   10   12   16   18   19   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     P    42_A     P    42_A      6    9   19      3    5   10   12   16   18   19   20   22   23   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     V    43_A     V    43_A      4    8   19      3    4    5    9   13   18   19   20   23   25   28   32   34   35   36   40   45   48   53   54 
LCS_GDT     P    44_A     P    44_A      4    8   19      3    3    6   12   16   18   19   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     P    45_A     P    45_A      4    8   19      3    4    5    7    8    8    9   11   16   22   26   28   30   34   36   40   45   48   53   54 
LCS_GDT     P    46_A     P    46_A      4    6   19      3    4    4    6    6    8    9   10   11   13   19   21   29   31   34   38   45   48   53   54 
LCS_GDT     G    47_A     G    47_A      4    6   19      3    4    4    6    6    8   10   14   21   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     G    48_A     G    48_A      4    6   19      3    4    4    7    9   12   16   20   23   24   27   28   32   34   36   40   45   48   53   54 
LCS_GDT     S    49_A     S    49_A      4    6   19      3    3    4    6    6    9   12   14   15   18   24   28   32   34   36   40   45   48   53   54 
LCS_GDT     G    50_A     G    50_A      3    6   19      3    3    4    6    9   11   13   14   16   17   18   20   22   32   35   40   45   48   53   54 
LCS_GDT     G    51_A     G    51_A      3    8   19      3    3    5    7   12   12   14   14   16   17   18   24   26   27   30   35   39   45   53   54 
LCS_GDT     G    52_A     G    52_A      5   10   19      3    4    5    7   10   12   14   14   16   17   18   24   26   27   30   32   34   42   50   53 
LCS_GDT     E    53_A     E    53_A      5   10   21      3    6    7   11   12   12   14   14   16   17   18   24   26   28   30   34   40   46   53   54 
LCS_GDT     W    54_A     W    54_A      5   10   25      4    6    7   11   12   12   14   14   16   18   22   25   25   28   31   35   38   46   53   54 
LCS_GDT     E    55_A     E    55_A      5   10   39      3    5    7   11   12   12   14   14   17   20   22   25   25   28   33   36   40   41   42   50 
LCS_GDT     I    56_A     I    56_A      5   10   39      3    6    7   11   12   12   14   14   16   18   20   22   24   28   30   36   40   41   41   44 
LCS_GDT     I    57_A     I    57_A      5   10   39      4    6    7   11   12   12   14   17   17   21   23   28   31   34   35   36   40   41   41   44 
LCS_GDT     D    58_A     D    58_A      4   10   39      3    4    6   11   12   12   14   15   20   25   29   30   31   32   34   36   40   40   41   44 
LCS_GDT     I    59_A     I    59_A      5   10   39      3    5    5    7   10   12   19   26   27   28   29   30   31   32   34   38   40   41   41   44 
LCS_GDT     G    60_A     G    60_A      5   10   39      3    5    5    7   10   12   14   15   19   24   29   30   31   31   33   38   40   41   41   45 
LCS_GDT     P    61_A     P    61_A      5   27   39      3    5    5    7   10   13   18   26   27   28   32   34   34   35   36   38   40   41   41   45 
LCS_GDT     F    62_A     F    62_A      8   28   39      3    5   11   20   25   26   27   30   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     T    63_A     T    63_A     25   30   39      5   21   24   24   25   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     Q    64_A     Q    64_A     25   30   39      5   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     N    65_A     N    65_A     25   30   39      5   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     L    66_A     L    66_A     25   30   39      5   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     G    67_A     G    67_A     25   30   39     16   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     K    68_A     K    68_A     25   30   39     16   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     F    69_A     F    69_A     25   30   39     16   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     A    70_A     A    70_A     25   30   39     16   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     V    71_A     V    71_A     25   30   39     16   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     D    72_A     D    72_A     25   30   39     16   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     E    73_A     E    73_A     25   30   39     16   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     E    74_A     E    74_A     25   30   39     16   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     N    75_A     N    75_A     25   30   39     16   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     K    76_A     K    76_A     25   30   39     16   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     I    77_A     I    77_A     25   30   39     16   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     G    78_A     G    78_A     25   30   39     16   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     Q    79_A     Q    79_A     25   30   39     16   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     Y    80_A     Y    80_A     25   30   39      4   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     G    81_A     G    81_A     25   30   39      4   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     R    82_A     R    82_A     25   30   39     16   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     L    83_A     L    83_A     25   30   39     16   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     T    84_A     T    84_A     25   30   39     16   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     F    85_A     F    85_A     25   30   39      3   21   24   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     N    86_A     N    86_A     25   30   39      9   19   24   24   26   27   30   31   32   32   33   34   34   35   36   36   40   41   41   44 
LCS_GDT     K    87_A     K    87_A     25   30   39      4   15   20   24   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     V    88_A     V    88_A     22   30   39      3   11   19   23   26   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     I    89_A     I    89_A      7   30   39      3    6   11   15   25   27   30   31   32   32   33   34   34   35   36   38   40   41   41   45 
LCS_GDT     R    90_A     R    90_A      7   30   39      3    7   16   20   25   26   30   31   32   32   33   34   34   35   36   38   40   41   43   45 
LCS_GDT     P    91_A     P    91_A      7   30   39      3    7   11   20   25   27   30   31   32   32   33   34   34   35   36   38   40   45   50   54 
LCS_GDT     C    92_A     C    92_A      7   30   39      3    4   10   23   26   27   30   31   32   32   33   34   34   35   36   38   40   47   51   54 
LCS_GDT     M    93_A     M    93_A      7   28   39      3    4    8   13   22   25   29   31   32   32   33   34   34   35   36   40   45   48   53   54 
LCS_GDT     K    94_A     K    94_A      4    9   39      4    5    7   11   12   12   15   21   28   31   33   34   34   35   36   38   43   48   53   54 
LCS_GDT     K    95_A     K    95_A      4    6   39      4    5    7   11   12   12   14   15   19   23   28   32   34   35   36   40   45   48   53   54 
LCS_GDT     T    96_A     T    96_A      4    6   36      4    5    7   11   12   12   14   14   16   16   18   22   26   27   30   34   39   48   53   54 
LCS_GDT     I    97_A     I    97_A      4    6    9      4    6    7   11   12   12   14   14   16   16   18   19   22   32   34   40   45   48   53   54 
LCS_GDT     Y    98_A     Y    98_A      4    6    9      4    6    7   11   12   12   13   13   15   16   18   19   22   30   32   40   45   48   53   54 
LCS_GDT     E    99_A     E    99_A      4    6    9      3    4    5    6    9   10   13   13   13   14   17   17   21   23   27   33   39   44   46   49 
LCS_GDT     N   100_A     N   100_A      3    5    9      3    3    3    5    5    7    9   11   12   13   14   15   18   21   22   29   34   38   41   48 
LCS_AVERAGE  LCS_A:  18.30  (  10.52   15.58   28.80 )

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     16     21     24     24     26     27     30     31     32     32     33     34     34     35     36     40     45     48     53     54 
GDT PERCENT_AT  16.49  21.65  24.74  24.74  26.80  27.84  30.93  31.96  32.99  32.99  34.02  35.05  35.05  36.08  37.11  41.24  46.39  49.48  54.64  55.67
GDT RMS_LOCAL    0.33   0.59   0.79   0.79   1.33   1.41   1.95   2.13   2.34   2.34   2.83   3.19   3.19   3.60   4.01   5.94   6.34   6.64   7.04   7.11
GDT RMS_ALL_AT  21.98  22.16  22.08  22.08  21.49  21.53  21.25  21.17  21.13  21.13  21.02  20.99  20.99  20.83  20.83  21.29  21.32  21.10  21.12  21.15

# Checking swapping
#   possible swapping detected:  Y     8_A      Y     8_A
#   possible swapping detected:  Y    10_A      Y    10_A
#   possible swapping detected:  Y    15_A      Y    15_A
#   possible swapping detected:  D    18_A      D    18_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  F    39_A      F    39_A
#   possible swapping detected:  D    58_A      D    58_A
#   possible swapping detected:  F    62_A      F    62_A
#   possible swapping detected:  F    69_A      F    69_A
#   possible swapping detected:  Y    98_A      Y    98_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A    33.819     4    0.086   0.093    36.159    0.000    0.000
LGA    I     5_A      I     5_A    27.848     0    0.068   1.112    30.882    0.000    0.000
LGA    K     6_A      K     6_A    28.487     0    0.632   1.457    31.281    0.000    0.000
LGA    G     7_A      G     7_A    23.940     0    0.555   0.555    25.276    0.000    0.000
LGA    Y     8_A      Y     8_A    18.368     0    0.264   1.133    20.770    0.000    0.000
LGA    E     9_A      E     9_A    16.365     0    0.117   1.147    16.551    0.000    0.000
LGA    Y    10_A      Y    10_A    15.184     0    0.087   1.385    22.846    0.000    0.000
LGA    Q    11_A      Q    11_A    11.396     0    0.116   0.687    13.522    0.000    5.450
LGA    L    12_A      L    12_A    16.728     0    0.162   0.468    23.210    0.000    0.000
LGA    Y    13_A      Y    13_A    17.313     0    0.102   1.414    21.842    0.000    0.000
LGA    V    14_A      V    14_A    23.354     0    0.173   0.904    24.683    0.000    0.000
LGA    Y    15_A      Y    15_A    28.385     0    0.118   0.247    30.980    0.000    0.000
LGA    A    16_A      A    16_A    29.471     0    0.148   0.155    29.909    0.000    0.000
LGA    S    17_A      S    17_A    32.159     0    0.641   0.746    33.530    0.000    0.000
LGA    D    18_A      D    18_A    29.590     0    0.330   1.071    31.502    0.000    0.000
LGA    K    19_A      K    19_A    23.912     0    0.329   0.383    29.988    0.000    0.000
LGA    L    20_A      L    20_A    18.245     0    0.567   0.973    20.121    0.000    0.000
LGA    F    21_A      F    21_A    14.841     0    0.183   1.337    18.897    0.000    0.000
LGA    R    22_A      R    22_A    15.708     0    0.669   1.562    17.867    0.000    0.260
LGA    A    23_A      A    23_A    18.637     0    0.105   0.122    19.408    0.000    0.000
LGA    D    24_A      D    24_A    21.963     0    0.594   1.140    25.557    0.000    0.000
LGA    I    25_A      I    25_A    28.130     0    0.213   1.463    31.079    0.000    0.000
LGA    S    26_A      S    26_A    29.497     0    0.620   0.570    31.769    0.000    0.000
LGA    E    27_A      E    27_A    35.794     0    0.621   0.809    40.424    0.000    0.000
LGA    D    28_A      D    28_A    38.999     0    0.622   0.769    41.792    0.000    0.000
LGA    Y    29_A      Y    29_A    37.028     0    0.037   1.106    39.356    0.000    0.000
LGA    K    30_A      K    30_A    42.434     0    0.033   1.405    44.979    0.000    0.000
LGA    T    31_A      T    31_A    45.769     0    0.119   1.136    47.243    0.000    0.000
LGA    R    32_A      R    32_A    41.019     0    0.198   0.891    47.120    0.000    0.000
LGA    G    33_A      G    33_A    39.151     0    0.534   0.534    40.140    0.000    0.000
LGA    R    34_A      R    34_A    33.354     0    0.657   1.486    35.927    0.000    0.000
LGA    K    35_A      K    35_A    31.250     0    0.422   1.093    35.543    0.000    0.000
LGA    L    36_A      L    36_A    25.352     0    0.277   1.447    27.575    0.000    0.000
LGA    L    37_A      L    37_A    21.471     0    0.597   0.950    22.658    0.000    0.000
LGA    R    38_A      R    38_A    14.988     0    0.063   0.966    19.539    0.000    0.000
LGA    F    39_A      F    39_A    11.876     0    0.147   0.335    16.460    0.238    0.087
LGA    N    40_A      N    40_A     7.819     0    0.038   1.135    10.004    2.857    9.048
LGA    G    41_A      G    41_A    11.091     0    0.058   0.058    13.185    0.357    0.357
LGA    P    42_A      P    42_A    16.575     0    0.631   0.605    18.849    0.000    0.000
LGA    V    43_A      V    43_A    15.455     0    0.258   1.100    17.439    0.000    0.000
LGA    P    44_A      P    44_A    20.826     0    0.129   0.262    21.897    0.000    0.000
LGA    P    45_A      P    45_A    24.791     0    0.193   0.198    26.898    0.000    0.000
LGA    P    46_A      P    46_A    26.840     0    0.094   0.148    30.594    0.000    0.000
LGA    G    47_A      G    47_A    30.378     0    0.101   0.101    30.378    0.000    0.000
LGA    G    48_A      G    48_A    32.292     0    0.472   0.472    34.077    0.000    0.000
LGA    S    49_A      S    49_A    34.336     0    0.190   0.622    35.965    0.000    0.000
LGA    G    50_A      G    50_A    32.031     0    0.619   0.619    33.177    0.000    0.000
LGA    G    51_A      G    51_A    30.442     0    0.591   0.591    31.660    0.000    0.000
LGA    G    52_A      G    52_A    29.611     0    0.603   0.603    29.936    0.000    0.000
LGA    E    53_A      E    53_A    24.515     0    0.082   1.362    27.612    0.000    0.000
LGA    W    54_A      W    54_A    18.515     0    0.124   0.490    20.853    0.000    0.000
LGA    E    55_A      E    55_A    15.186     0    0.167   1.435    16.464    0.000    0.000
LGA    I    56_A      I    56_A    13.502     0    0.100   0.741    15.317    0.000    0.000
LGA    I    57_A      I    57_A    11.875     0    0.074   1.448    12.182    0.000    0.179
LGA    D    58_A      D    58_A    12.569     0    0.077   0.897    17.517    0.119    0.060
LGA    I    59_A      I    59_A    11.284     0    0.577   1.398    14.725    0.000    0.060
LGA    G    60_A      G    60_A    13.429     0    0.173   0.173    13.429    0.000    0.000
LGA    P    61_A      P    61_A    10.736     0    0.127   0.333    13.819    3.690    2.109
LGA    F    62_A      F    62_A     6.250     0    0.123   1.433     8.003   25.833   19.870
LGA    T    63_A      T    63_A     3.660     0    0.130   1.181     4.711   45.476   49.728
LGA    Q    64_A      Q    64_A     2.697     0    0.082   0.528     3.675   59.167   54.127
LGA    N    65_A      N    65_A     2.143     0    0.078   1.041     7.142   69.048   49.821
LGA    L    66_A      L    66_A     1.994     0    0.065   0.640     4.959   72.976   57.798
LGA    G    67_A      G    67_A     1.332     0    0.080   0.080     1.575   81.548   81.548
LGA    K    68_A      K    68_A     0.974     0    0.016   0.955     6.362   88.214   70.265
LGA    F    69_A      F    69_A     0.926     0    0.059   0.599     6.080   90.595   58.745
LGA    A    70_A      A    70_A     1.153     0    0.093   0.096     1.509   81.548   81.524
LGA    V    71_A      V    71_A     0.377     0    0.012   0.092     0.615   97.619   95.918
LGA    D    72_A      D    72_A     1.160     0    0.025   0.161     1.963   81.548   77.202
LGA    E    73_A      E    73_A     1.897     0    0.053   0.527     3.355   75.000   68.571
LGA    E    74_A      E    74_A     1.405     0    0.029   1.026     3.121   79.286   76.032
LGA    N    75_A      N    75_A     1.148     0    0.082   0.219     1.362   81.429   81.429
LGA    K    76_A      K    76_A     1.829     0    0.079   0.734     2.590   72.857   67.566
LGA    I    77_A      I    77_A     1.684     0    0.044   1.411     3.834   75.000   67.262
LGA    G    78_A      G    78_A     1.014     0    0.052   0.052     1.283   81.429   81.429
LGA    Q    79_A      Q    79_A     1.819     0    0.079   0.885     5.168   72.857   54.497
LGA    Y    80_A      Y    80_A     1.662     0    0.162   0.370     1.882   72.857   78.651
LGA    G    81_A      G    81_A     1.070     0    0.092   0.092     1.479   85.952   85.952
LGA    R    82_A      R    82_A     0.669     0    0.037   0.883     2.558   90.595   78.788
LGA    L    83_A      L    83_A     1.582     0    0.082   0.781     2.827   72.976   72.024
LGA    T    84_A      T    84_A     1.880     0    0.172   0.999     4.200   66.905   58.980
LGA    F    85_A      F    85_A     2.781     0    0.526   0.721     5.839   46.667   44.719
LGA    N    86_A      N    86_A     1.876     0    0.251   0.277     2.476   75.000   69.881
LGA    K    87_A      K    87_A     0.905     0    0.056   0.958     7.430   88.214   64.762
LGA    V    88_A      V    88_A     1.542     0    0.042   0.926     3.095   70.952   67.347
LGA    I    89_A      I    89_A     3.345     0    0.146   1.030     7.021   53.571   37.500
LGA    R    90_A      R    90_A     3.686     0    0.123   1.022    10.678   34.881   19.307
LGA    P    91_A      P    91_A     3.649     0    0.067   0.496     6.378   45.476   36.190
LGA    C    92_A      C    92_A     1.752     0    0.103   0.789     2.682   64.881   63.571
LGA    M    93_A      M    93_A     4.647     0    0.346   0.957     8.013   28.929   22.083
LGA    K    94_A      K    94_A    10.652     0    0.593   0.836    19.592    0.714    0.317
LGA    K    95_A      K    95_A    16.268     0    0.074   0.701    23.626    0.000    0.000
LGA    T    96_A      T    96_A    22.082     0    0.111   0.247    25.409    0.000    0.000
LGA    I    97_A      I    97_A    27.660     0    0.255   0.450    30.491    0.000    0.000
LGA    Y    98_A      Y    98_A    31.825     0    0.079   0.158    34.327    0.000    0.000
LGA    E    99_A      E    99_A    34.823     0    0.038   0.891    37.425    0.000    0.000
LGA    N   100_A      N   100_A    34.944     0    0.259   0.999    37.459    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       97     388    388  100.00     780    780  100.00                97
SUMMARY(RMSD_GDC):    16.439         16.374                 17.368           23.065   20.732

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     31    2.13    29.897    26.562     1.390

LGA_LOCAL      RMSD:   2.130  Number of atoms:   31  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  21.167  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:  16.439  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.938629 * X  +  -0.292853 * Y  +   0.182244 * Z  + -61.598988
  Y_new =  -0.096432 * X  +   0.284489 * Y  +   0.953817 * Z  + -25.573839
  Z_new =  -0.331175 * X  +  -0.912854 * Y  +   0.238789 * Z  + 145.406036 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.102378  0.337549 -1.314944   [DEG:   -5.8658   19.3401  -75.3407 ]
ZXZ:  2.952800  1.329677 -2.793569   [DEG:  169.1830   76.1849 -160.0597 ]
 
# END of job
