
#######################################################
#                                                     #
#                        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   89 (  757),  selected   89 , name one
# Molecule2: number of CA atoms  104 (  843),  selected   89 , 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:    42      24_A - 65_A        2.85    27.82
  LCS_AVERAGE:     30.81

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    20      44_A - 63_A        1.90    28.00
  LCS_AVERAGE:     15.23

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    15      26_A - 40_A        0.95    28.18
  LONGEST_CONTINUOUS_SEGMENT:    15      45_A - 59_A        0.98    28.37
  LONGEST_CONTINUOUS_SEGMENT:    15      66_A - 80_A        0.84    28.81
  LCS_AVERAGE:     10.88

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   89
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     H    24_A     H    24_A      4   18   42      3    4    5   12   19   27   35   35   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     N    25_A     N    25_A      4   19   42      3    4    5   12   21   28   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     I    26_A     I    26_A     15   19   42      6   17   21   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     K    27_A     K    27_A     15   19   42      8   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     C    28_A     C    28_A     15   19   42     10   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     H    29_A     H    29_A     15   19   42     10   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     F    30_A     F    30_A     15   19   42      8   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     D    31_A     D    31_A     15   19   42      7   16   23   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     N    32_A     N    32_A     15   19   42     10   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     C    33_A     C    33_A     15   19   42     10   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     N    34_A     N    34_A     15   19   42      8   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     R    35_A     R    35_A     15   19   42     10   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     K    36_A     K    36_A     15   19   42     10   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     I    37_A     I    37_A     15   19   42     10   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     H    38_A     H    38_A     15   19   42      7   17   21   25   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     W    39_A     W    39_A     15   19   42      4   17   21   25   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     K    40_A     K    40_A     15   19   42      4    6   18   23   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     I    41_A     I    41_A      5   19   42      4    6   14   22   26   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     R    42_A     R    42_A      4   19   42      3    3    5    8   14   20   22   33   35   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     Y    43_A     Y    43_A      4   19   42      3    8   14   21   25   28   35   35   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     G    44_A     G    44_A     14   20   42     10   17   24   26   29   32   34   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     K    45_A     K    45_A     15   20   42     10   14   17   26   28   32   34   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     L    46_A     L    46_A     15   20   42     10   15   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     R    47_A     R    47_A     15   20   42     10   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     L    48_A     L    48_A     15   20   42     10   16   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     V    49_A     V    49_A     15   20   42     10   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     D    50_A     D    50_A     15   20   42     10   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     H    51_A     H    51_A     15   20   42     10   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     A    52_A     A    52_A     15   20   42     10   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     L    53_A     L    53_A     15   20   42     10   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     S    54_A     S    54_A     15   20   42     10   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     H    55_A     H    55_A     15   20   42     10   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     Q    56_A     Q    56_A     15   20   42     10   18   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     E    57_A     E    57_A     15   20   42      3    4   11   25   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     E    58_A     E    58_A     15   20   42      8    8    8   16   28   30   34   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     K    59_A     K    59_A     15   20   42      8   14   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     S    60_A     S    60_A      9   20   42      8    8   24   26   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     I    61_A     I    61_A      9   20   42      8    8    8   15   29   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     D    62_A     D    62_A      9   20   42      8    8   20   25   28   32   35   36   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     C    63_A     C    63_A      9   20   42      8    8    8   11   22   30   33   35   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     Q    64_A     Q    64_A      9   13   42      8    8    8    9   11   16   31   33   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     K    65_A     K    65_A      9   13   42      8    8    8    9   11   16   31   33   38   39   41   42   42   42   42   42   42   42   42   42 
LCS_GDT     C    66_A     C    66_A     15   17   25      4   11   15   16   17   17   18   19   20   20   20   21   23   23   24   24   24   24   25   28 
LCS_GDT     E    67_A     E    67_A     15   17   25      6   14   15   16   17   17   18   19   20   20   21   21   23   23   24   24   24   24   25   27 
LCS_GDT     Y    68_A     Y    68_A     15   17   25      7   14   15   16   17   17   18   19   20   20   21   21   23   23   24   24   24   24   27   28 
LCS_GDT     S    69_A     S    69_A     15   17   25      9   14   15   16   17   17   18   19   20   20   21   21   23   23   24   24   24   24   25   27 
LCS_GDT     C    70_A     C    70_A     15   17   25      5   14   15   16   17   17   18   19   20   20   21   21   23   23   24   24   24   24   25   30 
LCS_GDT     Q    71_A     Q    71_A     15   17   25      9   14   15   16   17   17   18   19   20   20   21   21   23   23   24   24   24   24   25   25 
LCS_GDT     T    72_A     T    72_A     15   17   25      9   14   15   16   17   17   18   19   20   20   21   21   23   23   24   24   24   24   25   25 
LCS_GDT     T    73_A     T    73_A     15   17   25      9   14   15   16   17   17   18   19   20   20   21   21   23   23   24   24   24   27   32   35 
LCS_GDT     R    74_A     R    74_A     15   17   25      9   14   15   16   17   17   18   19   20   20   21   21   23   23   24   24   24   24   29   35 
LCS_GDT     Q    75_A     Q    75_A     15   17   25      9   14   15   16   17   17   18   19   20   20   21   21   23   23   24   24   24   25   30   33 
LCS_GDT     M    76_A     M    76_A     15   17   25      9   14   15   16   17   17   18   19   20   20   21   21   23   23   24   24   25   28   35   36 
LCS_GDT     R    77_A     R    77_A     15   17   25      9   14   15   16   17   17   18   19   20   20   21   21   23   23   25   31   34   35   36   37 
LCS_GDT     Y    78_A     Y    78_A     15   17   25      9   14   15   16   17   17   18   19   20   20   21   21   23   23   24   24   27   30   35   37 
LCS_GDT     H    79_A     H    79_A     15   17   25      9   14   15   16   17   17   18   19   20   20   21   21   23   23   24   25   30   35   36   37 
LCS_GDT     Y    80_A     Y    80_A     15   17   25      4    9   15   16   17   17   18   19   20   20   21   21   23   23   25   28   34   35   36   37 
LCS_GDT     K    81_A     K    81_A      4   17   25      4    4    7    8    9   16   18   19   20   20   21   21   23   23   24   24   26   30   33   37 
LCS_GDT     K    82_A     K    82_A      4   17   25      4    4    7    8    9   12   15   18   20   20   21   21   23   23   25   31   34   35   36   37 
LCS_GDT     I    83_A     I    83_A      4   17   25      3    4    7   10   14   16   18   19   20   20   21   21   23   23   25   28   34   35   36   37 
LCS_GDT     H    84_A     H    84_A      4    7   25      3    4    4    5   17   17   18   19   20   20   21   21   23   23   24   24   25   26   30   33 
LCS_GDT     A    85_A     A    85_A      4    7   25      9   14   15   16   17   17   18   19   20   20   21   21   23   23   24   25   28   31   34   37 
LCS_GDT     N    86_A     N    86_A      4    7   25      3    4    4    5    7   13   16   18   19   20   21   21   23   23   24   24   25   25   28   30 
LCS_GDT     L    87_A     L    87_A      4    7   25      3    4    7    8    9   10   15   17   19   20   21   21   23   23   24   24   25   25   30   33 
LCS_GDT     K    88_A     K    88_A      4    7   25      3    4    7    8    9   10   13   15   17   18   18   21   23   23   24   24   25   25   28   33 
LCS_GDT     M    89_A     M    89_A      4    7   25      3    4    5    6    7   10   12   15   17   17   18   19   20   22   24   24   25   26   30   33 
LCS_GDT     E    90_A     E    90_A      4    7   25      3    4    5    6    9   10   12   15   17   17   18   19   19   21   22   23   25   25   28   33 
LCS_GDT     G    91_A     G    91_A      3    7   22      3    3    5    5    7    9   12   14   14   15   17   18   19   20   20   23   25   26   30   33 
LCS_GDT     F    92_A     F    92_A      3    7   21      3    3    4    6    6    8    9   11   12   14   16   18   19   20   20   23   25   26   30   33 
LCS_GDT     G    93_A     G    93_A      4    7   21      3    4    4    6    7    8    9   11   12   14   16   18   19   20   20   23   25   26   28   33 
LCS_GDT     I    94_A     I    94_A      4    7   21      3    4    5    6    7    8    9   11   14   15   17   18   19   20   20   23   25   26   30   33 
LCS_GDT     L    95_A     L    95_A      4    7   21      3    4    5    5    7    7    9   11   13   14   16   18   19   20   20   23   25   26   30   33 
LCS_GDT     N    96_A     N    96_A      4    7   21      3    4    5    5    7    7    9   12   14   15   17   18   19   20   20   23   25   26   30   33 
LCS_GDT     I    97_A     I    97_A      4    6   21      3    4    4    5    6    8   12   14   15   15   17   17   18   19   20   23   25   26   30   33 
LCS_GDT     P    98_A     P    98_A      4    6   21      3    4    4    5    6   13   13   14   15   15   17   17   18   19   20   20   21   25   30   33 
LCS_GDT     L    99_A     L    99_A      4   14   21      3    6   10   13   13   14   14   14   15   15   17   17   18   19   20   20   22   26   30   33 
LCS_GDT     Q   100_A     Q   100_A     13   14   21      8   12   12   13   13   14   14   14   14   14   16   16   17   19   20   20   21   22   22   22 
LCS_GDT     N   101_A     N   101_A     13   14   21      9   12   12   13   13   14   14   14   15   15   17   17   18   19   20   20   21   22   22   25 
LCS_GDT     T   102_A     T   102_A     13   14   21      9   12   12   13   13   14   14   14   15   15   17   17   18   19   20   20   21   22   24   27 
LCS_GDT     K   103_A     K   103_A     13   14   21      9   12   12   13   13   14   14   14   15   15   17   17   18   19   20   21   22   26   30   33 
LCS_GDT     F   104_A     F   104_A     13   14   21      9   12   12   13   13   14   14   14   15   15   17   17   18   19   20   21   22   26   30   33 
LCS_GDT     S   105_A     S   105_A     13   14   21      9   12   12   13   13   14   14   14   15   15   17   17   18   19   20   20   22   26   30   33 
LCS_GDT     D   106_A     D   106_A     13   14   21      9   12   12   13   13   14   14   14   15   15   17   17   18   19   20   21   22   26   30   33 
LCS_GDT     V   107_A     V   107_A     13   14   21      9   12   12   13   13   14   14   14   15   15   17   17   18   19   20   21   25   26   30   33 
LCS_GDT     W   108_A     W   108_A     13   14   21      9   12   12   13   13   14   14   14   15   15   17   17   18   19   20   23   25   26   30   33 
LCS_GDT     N   109_A     N   109_A     13   14   21      9   12   12   13   13   14   14   14   15   15   17   17   18   19   20   21   22   26   30   33 
LCS_GDT     K   110_A     K   110_A     13   14   21      9   12   12   13   13   14   14   14   15   15   17   17   18   19   20   23   25   26   30   33 
LCS_GDT     C   111_A     C   111_A     13   14   21      9   12   12   13   13   14   14   14   15   15   17   17   18   19   20   23   25   26   30   33 
LCS_GDT     F   112_A     F   112_A     13   14   21      4   11   12   13   13   14   14   14   15   15   17   17   18   19   20   23   25   26   30   33 
LCS_AVERAGE  LCS_A:  18.98  (  10.88   15.23   30.81 )

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     10     18     24     26     29     32     35     36     38     39     41     42     42     42     42     42     42     42     42     42 
GDT PERCENT_AT   9.62  17.31  23.08  25.00  27.88  30.77  33.65  34.62  36.54  37.50  39.42  40.38  40.38  40.38  40.38  40.38  40.38  40.38  40.38  40.38
GDT RMS_LOCAL    0.22   0.59   0.90   1.02   1.29   1.52   2.08   2.02   2.28   2.39   2.72   2.85   2.85   2.85   2.85   2.85   2.85   2.85   2.85   2.85
GDT RMS_ALL_AT  28.61  27.50  27.82  27.82  27.77  27.83  27.84  27.82  27.81  27.83  27.81  27.82  27.82  27.82  27.82  27.82  27.82  27.82  27.82  27.82

# Checking swapping
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F   104_A      F   104_A
#   possible swapping detected:  D   106_A      D   106_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    24_A      H    24_A     5.652     0    0.110   1.262     7.973   22.857   36.571
LGA    N    25_A      N    25_A     4.771     0    0.546   0.573    10.179   53.214   29.286
LGA    I    26_A      I    26_A     1.240     0    0.444   1.331     4.027   75.357   66.845
LGA    K    27_A      K    27_A     1.007     0    0.055   0.276     2.888   88.214   79.841
LGA    C    28_A      C    28_A     0.477     0    0.062   0.098     0.792   95.238   95.238
LGA    H    29_A      H    29_A     0.673     0    0.047   1.145     3.544   90.595   80.667
LGA    F    30_A      F    30_A     0.868     0    0.030   0.277     2.937   85.952   74.199
LGA    D    31_A      D    31_A     1.834     0    0.029   0.857     4.136   75.000   60.952
LGA    N    32_A      N    32_A     0.531     0    0.177   0.437     1.391   88.214   88.274
LGA    C    33_A      C    33_A     0.688     0    0.078   0.093     0.787   90.476   92.063
LGA    N    34_A      N    34_A     0.818     0    0.177   0.206     1.400   88.214   85.952
LGA    R    35_A      R    35_A     0.248     0    0.040   0.949     3.981   97.619   77.013
LGA    K    36_A      K    36_A     0.519     0    0.089   0.828     3.419   92.857   84.180
LGA    I    37_A      I    37_A     0.671     0    0.157   1.587     4.264   90.476   77.440
LGA    H    38_A      H    38_A     2.186     0    0.550   0.611     3.578   64.881   58.905
LGA    W    39_A      W    39_A     2.087     0    0.214   1.155    10.285   55.952   28.878
LGA    K    40_A      K    40_A     3.096     0    0.103   0.817    11.471   61.190   33.598
LGA    I    41_A      I    41_A     3.957     0    0.544   0.484     4.785   37.262   43.750
LGA    R    42_A      R    42_A     7.574     0    0.638   1.317    17.802   17.024    6.190
LGA    Y    43_A      Y    43_A     5.060     0    0.134   1.006    17.665   45.476   16.706
LGA    G    44_A      G    44_A     2.661     0    0.578   0.578     2.775   63.214   63.214
LGA    K    45_A      K    45_A     3.458     0    0.172   1.226     6.900   55.476   42.328
LGA    L    46_A      L    46_A     2.026     0    0.033   0.117     2.597   69.048   70.952
LGA    R    47_A      R    47_A     1.666     0    0.078   1.251     4.989   75.000   54.762
LGA    L    48_A      L    48_A     2.122     0    0.031   1.458     5.261   68.810   60.060
LGA    V    49_A      V    49_A     1.584     0    0.031   0.057     2.213   79.405   75.442
LGA    D    50_A      D    50_A     0.752     0    0.042   0.227     1.514   90.595   86.071
LGA    H    51_A      H    51_A     1.085     0    0.010   1.429     5.511   85.952   65.905
LGA    A    52_A      A    52_A     0.674     0    0.018   0.023     0.847   95.238   94.286
LGA    L    53_A      L    53_A     0.184     0    0.065   0.079     0.831   97.619   95.238
LGA    S    54_A      S    54_A     0.875     0    0.055   0.095     1.295   88.214   85.952
LGA    H    55_A      H    55_A     0.306     0    0.247   0.994     2.037   97.619   90.000
LGA    Q    56_A      Q    56_A     0.970     0    0.678   1.054     5.509   79.881   59.365
LGA    E    57_A      E    57_A     2.585     4    0.323   0.308     2.739   59.048   32.593
LGA    E    58_A      E    58_A     3.521     4    0.216   0.256     4.223   48.333   25.608
LGA    K    59_A      K    59_A     2.023     0    0.053   0.496     2.530   69.048   68.466
LGA    S    60_A      S    60_A     1.721     0    0.030   0.106     2.806   70.833   67.540
LGA    I    61_A      I    61_A     2.661     0    0.013   0.642     3.981   62.857   53.929
LGA    D    62_A      D    62_A     3.196     0    0.017   0.154     4.846   43.929   51.607
LGA    C    63_A      C    63_A     5.186     0    0.053   0.084     6.131   25.476   24.206
LGA    Q    64_A      Q    64_A     7.462     0    0.018   0.713     9.099    8.333    5.979
LGA    K    65_A      K    65_A     8.143     0    0.656   0.899    10.847    5.357    3.228
LGA    C    66_A      C    66_A    43.216     0    0.459   0.759    44.392    0.000    0.000
LGA    E    67_A      E    67_A    42.706     4    0.065   0.075    44.244    0.000    0.000
LGA    Y    68_A      Y    68_A    36.907     0    0.041   1.346    38.752    0.000    0.000
LGA    S    69_A      S    69_A    35.133     0    0.019   0.049    37.731    0.000    0.000
LGA    C    70_A      C    70_A    30.195     0    0.124   0.706    32.043    0.000    0.000
LGA    Q    71_A      Q    71_A    29.875     0    0.055   1.084    34.117    0.000    0.000
LGA    T    72_A      T    72_A    25.154     0    0.062   1.130    26.570    0.000    0.000
LGA    T    73_A      T    73_A    23.352     0    0.098   1.181    24.216    0.000    0.000
LGA    R    74_A      R    74_A    19.847     0    0.092   1.743    20.934    0.000    0.000
LGA    Q    75_A      Q    75_A    21.831     0    0.053   0.239    25.860    0.000    0.000
LGA    M    76_A      M    76_A    25.436     0    0.019   1.262    29.991    0.000    0.000
LGA    R    77_A      R    77_A    23.460     0    0.047   1.143    24.220    0.000    0.000
LGA    Y    78_A      Y    78_A    21.617     0    0.077   1.444    23.725    0.000    0.000
LGA    H    79_A      H    79_A    25.927     0    0.075   1.594    28.481    0.000    0.000
LGA    Y    80_A      Y    80_A    29.855     0    0.045   0.796    32.007    0.000    0.000
LGA    K    81_A      K    81_A    31.011     0    0.071   1.078    34.249    0.000    0.000
LGA    K    82_A      K    82_A    28.730     0    0.162   0.646    31.105    0.000    0.000
LGA    I    83_A      I    83_A    33.145     0    0.231   1.556    36.821    0.000    0.000
LGA    H    84_A      H    84_A    38.392     0    0.099   0.217    42.870    0.000    0.000
LGA    A    85_A      A    85_A    35.573     0    0.391   0.378    36.231    0.000    0.000
LGA    N    86_A      N    86_A    38.695     3    0.237   0.239    40.386    0.000    0.000
LGA    L    87_A      L    87_A    40.069     0    0.602   1.363    40.069    0.000    0.000
LGA    K    88_A      K    88_A    39.729     0    0.284   0.971    44.260    0.000    0.000
LGA    M    89_A      M    89_A    35.708     0    0.654   1.112    37.363    0.000    0.000
LGA    E    90_A      E    90_A    37.796     0    0.048   1.046    39.645    0.000    0.000
LGA    G    91_A      G    91_A    41.033     0    0.480   0.480    41.033    0.000    0.000
LGA    F    92_A      F    92_A    39.906     0    0.417   1.220    40.853    0.000    0.000
LGA    G    93_A      G    93_A    41.830     0    0.683   0.683    42.858    0.000    0.000
LGA    I    94_A      I    94_A    45.211     0    0.148   1.585    47.487    0.000    0.000
LGA    L    95_A      L    95_A    50.355     0    0.044   0.119    55.432    0.000    0.000
LGA    N    96_A      N    96_A    46.633     0    0.099   1.133    50.691    0.000    0.000
LGA    I    97_A      I    97_A    44.390     0    0.029   1.049    45.285    0.000    0.000
LGA    P    98_A      P    98_A    42.977     0    0.209   0.215    43.405    0.000    0.000
LGA    L    99_A      L    99_A    42.766     0    0.681   0.875    43.085    0.000    0.000
LGA    Q   100_A      Q   100_A    45.339     0    0.509   1.294    49.767    0.000    0.000
LGA    N   101_A      N   101_A    42.084     0    0.049   1.126    43.229    0.000    0.000
LGA    T   102_A      T   102_A    39.688     0    0.034   0.081    40.244    0.000    0.000
LGA    K   103_A      K   103_A    38.619     0    0.023   0.955    39.604    0.000    0.000
LGA    F   104_A      F   104_A    41.008     0    0.013   1.364    43.340    0.000    0.000
LGA    S   105_A      S   105_A    42.467     0    0.040   0.570    43.007    0.000    0.000
LGA    D   106_A      D   106_A    41.044     0    0.059   1.076    42.271    0.000    0.000
LGA    V   107_A      V   107_A    41.904     0    0.078   1.180    44.208    0.000    0.000
LGA    W   108_A      W   108_A    44.856     0    0.000   0.292    51.435    0.000    0.000
LGA    N   109_A      N   109_A    45.579     0    0.144   1.195    46.845    0.000    0.000
LGA    K   110_A      K   110_A    45.306     0    0.074   1.224    47.707    0.000    0.000
LGA    C   111_A      C   111_A    47.301     0    0.095   0.105    50.066    0.000    0.000
LGA    F   112_A      F   112_A    49.656     0    0.376   1.173    53.565    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       89     356    356  100.00     742    742  100.00               104
SUMMARY(RMSD_GDC):    18.378         18.537                 18.650           27.455   23.974

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   89  104    4.0     36    2.02    29.327    27.455     1.697

LGA_LOCAL      RMSD:   2.021  Number of atoms:   36  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  27.820  Number of assigned atoms:   89 
Std_ASGN_ATOMS RMSD:  18.378  Standard rmsd on all 89 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.804678 * X  +   0.560712 * Y  +  -0.195181 * Z  + -65.743660
  Y_new =  -0.003057 * X  +   0.324830 * Y  +   0.945768 * Z  + -44.051323
  Z_new =   0.593704 * X  +   0.761635 * Y  +  -0.259669 * Z  + -17.384605 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.137793 -0.635654  1.899374   [DEG: -179.7823  -36.4203  108.8261 ]
ZXZ: -2.938076  1.833476  0.662123   [DEG: -168.3394  105.0504   37.9369 ]
 
# END of job
