
#######################################################
#                                                     #
#                        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   82 (  615),  selected   82 , name one
# Molecule2: number of CA atoms   83 (  623),  selected   82 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:E  -ch2:E  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82       1_E - 82_E        1.88     1.88
  LCS_AVERAGE:     98.80

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82       1_E - 82_E        1.88     1.88
  LCS_AVERAGE:     98.80

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36       2_E - 37_E        0.93     3.29
  LCS_AVERAGE:     33.78

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   82
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     M     1_E     M     1_E      3   82   82      3    3   13   26   36   58   71   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     S     2_E     S     2_E     36   82   82     12   27   42   67   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     G     3_E     G     3_E     36   82   82     10   27   38   64   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     D     4_E     D     4_E     36   82   82     10   26   42   68   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     N     5_E     N     5_E     36   82   82     10   27   42   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     F     6_E     F     6_E     36   82   82      8   27   42   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L     7_E     L     7_E     36   82   82     10   22   42   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     K     8_E     K     8_E     36   82   82     10   27   43   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A     9_E     A     9_E     36   82   82     10   27   42   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     F    10_E     F    10_E     36   82   82      5   27   42   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A    11_E     A    11_E     36   82   82     12   27   45   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A    12_E     A    12_E     36   82   82     12   27   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L    13_E     L    13_E     36   82   82     12   27   45   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     E    14_E     E    14_E     36   82   82     12   27   45   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A    15_E     A    15_E     36   82   82     12   27   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L    16_E     L    16_E     36   82   82     12   27   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A    17_E     A    17_E     36   82   82     12   27   45   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A    18_E     A    18_E     36   82   82     12   27   45   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L    19_E     L    19_E     36   82   82     12   27   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     P    20_E     P    20_E     36   82   82      5   27   45   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A    21_E     A    21_E     36   82   82      5    8   32   57   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     S    22_E     S    22_E     36   82   82      5    8   44   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A    23_E     A    23_E     36   82   82     12   27   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     K    24_E     K    24_E     36   82   82     14   27   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     E    25_E     E    25_E     36   82   82     12   27   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L    26_E     L    26_E     36   82   82     10   27   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     Q    27_E     Q    27_E     36   82   82     11   27   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L    28_E     L    28_E     36   82   82     11   27   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     E    29_E     E    29_E     36   82   82     11   27   45   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L    30_E     L    30_E     36   82   82     11   27   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     I    31_E     I    31_E     36   82   82     11   27   45   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     K    32_E     K    32_E     36   82   82     11   27   38   63   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     Q    33_E     Q    33_E     36   82   82     11   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     F    34_E     F    34_E     36   82   82     11   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     M    35_E     M    35_E     36   82   82     11   26   45   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A    36_E     A    36_E     36   82   82     11   26   44   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     E    37_E     E    37_E     36   82   82     11   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A    38_E     A    38_E     35   82   82      4   23   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     M    39_E     M    39_E     32   82   82      4   19   45   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     K    40_E     K    40_E     31   82   82     12   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     I    41_E     I    41_E     31   82   82      4   19   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     G    42_E     G    42_E     23   82   82      3    6   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     N    43_E     N    43_E     23   82   82      5   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     K    44_E     K    44_E     23   82   82      3   22   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     E    45_E     E    45_E     23   82   82      3   19   45   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     G    46_E     G    46_E     21   82   82      9   22   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L    47_E     L    47_E     21   82   82     10   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L    48_E     L    48_E     21   82   82      9   22   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L    49_E     L    49_E     21   82   82      7   22   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L    50_E     L    50_E     21   82   82      9   23   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A    51_E     A    51_E     21   82   82      9   25   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     E    52_E     E    52_E     21   82   82      9   19   45   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     R    53_E     R    53_E     21   82   82      9   19   37   66   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L    54_E     L    54_E     21   82   82      9   22   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     E    55_E     E    55_E     21   82   82      9   22   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A    56_E     A    56_E     21   82   82      9   19   32   66   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L    57_E     L    57_E     21   82   82      9   19   37   68   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     K    58_E     K    58_E     21   82   82      9   22   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     P    59_E     P    59_E     19   82   82      5   20   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     K    60_E     K    60_E     22   82   82      9   24   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     V    61_E     V    61_E     22   82   82      5    8   17   59   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     S    62_E     S    62_E     22   82   82      3   17   34   62   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     P    63_E     P    63_E     22   82   82      3   23   42   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     E    64_E     E    64_E     22   82   82      4   20   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     I    65_E     I    65_E     22   82   82      9   24   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A    66_E     A    66_E     22   82   82     12   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     V    67_E     V    67_E     22   82   82      8   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L    68_E     L    68_E     22   82   82     14   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     V    69_E     V    69_E     22   82   82     14   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     E    70_E     E    70_E     22   82   82     14   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     K    71_E     K    71_E     22   82   82     14   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A    72_E     A    72_E     22   82   82     14   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A    73_E     A    73_E     22   82   82     14   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     E    74_E     E    74_E     22   82   82     14   26   45   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     M    75_E     M    75_E     22   82   82     14   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L    76_E     L    76_E     22   82   82     14   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     K    77_E     K    77_E     22   82   82     14   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L    78_E     L    78_E     22   82   82     14   26   45   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     L    79_E     L    79_E     22   82   82     14   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A    80_E     A    80_E     22   82   82     14   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     K    81_E     K    81_E     22   82   82      6   26   47   70   79   80   80   81   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_GDT     A    82_E     A    82_E      3   82   82      3    3   14   38   44   59   73   80   81   81   81   82   82   82   82   82   82   82   82   82 
LCS_AVERAGE  LCS_A:  77.12  (  33.78   98.80   98.80 )

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     14     27     47     70     79     80     80     81     81     81     81     82     82     82     82     82     82     82     82     82 
GDT PERCENT_AT  16.87  32.53  56.63  84.34  95.18  96.39  96.39  97.59  97.59  97.59  97.59  98.80  98.80  98.80  98.80  98.80  98.80  98.80  98.80  98.80
GDT RMS_LOCAL    0.29   0.65   1.13   1.44   1.58   1.60   1.60   1.74   1.74   1.74   1.74   1.88   1.88   1.88   1.88   1.88   1.88   1.88   1.88   1.88
GDT RMS_ALL_AT   2.58   3.55   2.01   1.90   1.89   1.89   1.89   1.88   1.88   1.88   1.88   1.88   1.88   1.88   1.88   1.88   1.88   1.88   1.88   1.88

# Checking swapping
#   possible swapping detected:  D     4_E      D     4_E
#   possible swapping detected:  F     6_E      F     6_E
#   possible swapping detected:  F    10_E      F    10_E
#   possible swapping detected:  E    25_E      E    25_E
#   possible swapping detected:  E    29_E      E    29_E
#   possible swapping detected:  E    52_E      E    52_E
#   possible swapping detected:  E    55_E      E    55_E
#   possible swapping detected:  E    64_E      E    64_E
#   possible swapping detected:  E    70_E      E    70_E

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_E      M     1_E     6.184     0    0.498   0.622    13.266   24.643   12.917
LGA    S     2_E      S     2_E     2.310     0    0.518   0.587     6.029   59.167   48.492
LGA    G     3_E      G     3_E     2.448     0    0.129   0.129     2.448   64.762   64.762
LGA    D     4_E      D     4_E     2.120     0    0.035   0.918     5.740   66.786   53.452
LGA    N     5_E      N     5_E     1.908     0    0.037   0.971     3.106   72.857   67.024
LGA    F     6_E      F     6_E     1.897     0    0.025   0.246     2.333   72.857   68.442
LGA    L     7_E      L     7_E     1.709     0    0.039   0.206     1.965   75.000   73.929
LGA    K     8_E      K     8_E     1.425     0    0.025   0.240     1.578   79.286   79.524
LGA    A     9_E      A     9_E     2.018     0    0.048   0.067     2.877   72.976   69.810
LGA    F    10_E      F    10_E     1.897     0    0.017   0.212     2.663   72.857   66.320
LGA    A    11_E      A    11_E     1.031     0    0.076   0.088     1.239   81.429   83.238
LGA    A    12_E      A    12_E     0.914     0    0.020   0.025     1.098   85.952   86.857
LGA    L    13_E      L    13_E     1.386     0    0.041   1.419     5.035   79.286   62.857
LGA    E    14_E      E    14_E     1.775     0    0.037   1.333     6.739   72.857   56.772
LGA    A    15_E      A    15_E     1.388     0    0.039   0.045     1.450   81.429   81.429
LGA    L    16_E      L    16_E     1.080     0    0.037   1.349     3.423   81.429   72.381
LGA    A    17_E      A    17_E     1.774     0    0.049   0.047     2.058   70.833   71.238
LGA    A    18_E      A    18_E     1.959     0    0.014   0.026     2.146   72.857   71.238
LGA    L    19_E      L    19_E     1.026     0    0.074   0.126     1.734   79.286   82.619
LGA    P    20_E      P    20_E     1.945     0    0.023   0.332     2.177   72.857   70.544
LGA    A    21_E      A    21_E     2.515     0    0.023   0.026     3.255   60.952   58.762
LGA    S    22_E      S    22_E     1.763     0    0.046   0.238     1.957   77.143   75.714
LGA    A    23_E      A    23_E     0.510     0    0.299   0.304     2.546   79.881   83.905
LGA    K    24_E      K    24_E     0.780     0    0.053   1.057     6.291   88.333   63.968
LGA    E    25_E      E    25_E     1.569     0    0.019   1.141     5.987   75.000   57.778
LGA    L    26_E      L    26_E     1.369     0    0.026   1.375     2.930   81.429   74.286
LGA    Q    27_E      Q    27_E     1.295     0    0.033   1.312     5.645   81.429   62.804
LGA    L    28_E      L    28_E     1.689     0    0.064   1.385     4.388   70.833   62.560
LGA    E    29_E      E    29_E     1.965     0    0.085   0.615     3.008   70.833   66.772
LGA    L    30_E      L    30_E     1.329     0    0.018   0.307     1.503   79.286   81.488
LGA    I    31_E      I    31_E     1.678     0    0.039   0.111     2.022   70.833   71.845
LGA    K    32_E      K    32_E     2.483     0    0.031   0.748     5.443   62.857   52.593
LGA    Q    33_E      Q    33_E     1.964     0    0.028   0.222     3.300   70.833   65.026
LGA    F    34_E      F    34_E     1.207     0    0.046   0.291     2.847   77.143   73.983
LGA    M    35_E      M    35_E     1.856     0    0.027   1.035     2.807   70.833   65.952
LGA    A    36_E      A    36_E     2.136     0    0.025   0.023     2.299   68.810   68.000
LGA    E    37_E      E    37_E     1.378     0    0.027   0.947     4.292   79.286   70.159
LGA    A    38_E      A    38_E     1.619     0    0.137   0.150     1.914   72.857   72.857
LGA    M    39_E      M    39_E     1.770     0    0.120   1.247     4.585   77.143   65.893
LGA    K    40_E      K    40_E     0.675     0    0.214   0.701     3.054   85.952   76.561
LGA    I    41_E      I    41_E     1.045     0    0.612   0.578     2.987   79.881   80.655
LGA    G    42_E      G    42_E     1.789     0    0.592   0.592     3.378   67.143   67.143
LGA    N    43_E      N    43_E     1.334     0    0.526   1.166     5.468   67.619   58.929
LGA    K    44_E      K    44_E     0.772     0    0.014   0.572     1.768   90.476   84.550
LGA    E    45_E      E    45_E     1.750     0    0.015   0.961     5.923   75.000   53.862
LGA    G    46_E      G    46_E     1.490     0    0.096   0.096     1.490   85.952   85.952
LGA    L    47_E      L    47_E     0.760     0    0.041   0.144     2.074   90.476   83.929
LGA    L    48_E      L    48_E     0.386     0    0.070   1.410     4.973   95.238   73.393
LGA    L    49_E      L    49_E     1.173     0    0.067   0.197     2.313   81.548   78.333
LGA    L    50_E      L    50_E     1.551     0    0.057   1.095     5.056   79.286   71.429
LGA    A    51_E      A    51_E     0.556     0    0.035   0.034     0.971   90.476   90.476
LGA    E    52_E      E    52_E     1.583     0    0.016   1.189     5.890   75.238   55.238
LGA    R    53_E      R    53_E     2.284     0    0.104   1.658     6.917   70.833   50.433
LGA    L    54_E      L    54_E     1.466     0    0.028   1.367     3.776   79.286   72.440
LGA    E    55_E      E    55_E     0.899     0    0.146   0.844     2.408   83.810   82.646
LGA    A    56_E      A    56_E     2.456     0    0.073   0.081     2.995   64.762   63.238
LGA    L    57_E      L    57_E     2.107     0    0.220   0.247     3.350   70.952   64.107
LGA    K    58_E      K    58_E     1.059     0    0.025   0.607     2.023   83.810   79.683
LGA    P    59_E      P    59_E     1.783     0    0.044   0.319     2.527   72.976   69.524
LGA    K    60_E      K    60_E     1.151     0    0.127   0.875     4.182   81.429   72.328
LGA    V    61_E      V    61_E     2.149     0    0.238   0.395     2.966   66.786   65.986
LGA    S    62_E      S    62_E     2.509     0    0.097   0.473     2.888   69.048   67.698
LGA    P    63_E      P    63_E     1.718     0    0.165   0.485     3.011   75.000   67.415
LGA    E    64_E      E    64_E     1.259     0    0.184   0.778     4.910   79.286   60.159
LGA    I    65_E      I    65_E     1.412     0    0.262   1.237     4.532   88.214   74.405
LGA    A    66_E      A    66_E     0.692     0    0.056   0.066     0.813   90.476   90.476
LGA    V    67_E      V    67_E     1.001     0    0.024   0.051     1.967   83.690   80.272
LGA    L    68_E      L    68_E     0.644     0    0.019   0.139     0.859   90.476   92.857
LGA    V    69_E      V    69_E     0.926     0    0.013   0.093     1.583   85.952   82.789
LGA    E    70_E      E    70_E     1.543     0    0.084   0.171     2.190   75.000   70.212
LGA    K    71_E      K    71_E     1.480     0    0.058   1.026     6.513   81.429   64.444
LGA    A    72_E      A    72_E     0.967     0    0.036   0.039     1.249   83.690   85.048
LGA    A    73_E      A    73_E     1.617     0    0.030   0.030     1.807   75.000   74.571
LGA    E    74_E      E    74_E     1.941     0    0.113   0.244     3.536   75.000   63.598
LGA    M    75_E      M    75_E     1.321     0    0.031   0.700     2.801   79.286   71.250
LGA    L    76_E      L    76_E     1.155     0    0.031   0.159     1.580   81.429   81.488
LGA    K    77_E      K    77_E     1.735     0    0.016   0.486     1.991   75.000   75.714
LGA    L    78_E      L    78_E     1.897     0    0.053   1.349     4.715   72.857   61.964
LGA    L    79_E      L    79_E     1.505     0    0.030   0.311     2.074   72.857   75.060
LGA    A    80_E      A    80_E     1.685     0    0.064   0.066     1.791   72.857   72.857
LGA    K    81_E      K    81_E     1.727     0    0.215   0.637    10.488   65.000   40.741
LGA    A    82_E      A    82_E     6.847     0    0.659   0.639    10.009   13.333   11.619

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       82     328    328  100.00     615    615  100.00                83
SUMMARY(RMSD_GDC):     1.875          1.910                  2.643           74.445   68.478

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   83    4.0     81    1.74    78.313    88.660     4.409

LGA_LOCAL      RMSD:   1.737  Number of atoms:   81  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.885  Number of assigned atoms:   82 
Std_ASGN_ATOMS RMSD:   1.875  Standard rmsd on all 82 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.731088 * X  +  -0.140958 * Y  +  -0.667563 * Z  +  13.972140
  Y_new =   0.183215 * X  +  -0.901930 * Y  +   0.391095 * Z  + -67.813385
  Z_new =  -0.657223 * X  +  -0.408233 * Y  +  -0.633564 * Z  + -73.162994 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.245549  0.717128 -2.569205   [DEG:   14.0689   41.0884 -147.2046 ]
ZXZ: -2.100749  2.256948 -2.126621   [DEG: -120.3641  129.3136 -121.8464 ]
 
# END of job
