
#######################################################
#                                                     #
#                        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   83 (  623),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  623),  selected   83 , 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:    83       1_E - 83_E        3.32     3.32
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      22_E - 83_E        1.97     3.44
  LCS_AVERAGE:     62.48

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      23_E - 48_E        0.97     4.37
  LCS_AVERAGE:     26.51

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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   17   83      3    3    4    7   14   16   31   46   55   68   71   75   82   82   83   83   83   83   83   83 
LCS_GDT     S     2_E     S     2_E      3   19   83      3    3    4   16   36   48   59   64   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     G     3_E     G     3_E     18   19   83      3   12   17   18   33   52   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     D     4_E     D     4_E     18   19   83     11   15   17   18   18   46   58   66   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     N     5_E     N     5_E     18   19   83      3   15   17   18   18   18   19   19   20   21   22   69   80   82   83   83   83   83   83   83 
LCS_GDT     F     6_E     F     6_E     18   19   83     11   15   17   18   18   18   19   44   56   69   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L     7_E     L     7_E     18   19   83     11   18   31   45   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K     8_E     K     8_E     18   19   83     11   15   17   18   18   18   52   57   66   72   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A     9_E     A     9_E     18   19   83     11   15   17   18   18   18   19   19   20   57   72   78   82   82   83   83   83   83   83   83 
LCS_GDT     F    10_E     F    10_E     18   19   83     11   15   17   18   29   32   46   54   69   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    11_E     A    11_E     18   19   83     11   18   35   46   54   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    12_E     A    12_E     18   19   83     11   15   17   18   18   18   19   41   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    13_E     L    13_E     18   19   83     11   15   17   18   18   18   19   19   56   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    14_E     E    14_E     18   19   83     11   15   17   21   30   48   61   65   69   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    15_E     A    15_E     18   19   83     11   15   18   37   49   56   63   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    16_E     L    16_E     18   19   83     11   15   17   18   18   25   61   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    17_E     A    17_E     18   19   83     11   15   17   27   33   41   52   61   68   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    18_E     A    18_E     18   19   83     11   15   17   18   18   18   40   48   67   73   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    19_E     L    19_E     18   39   83      5   14   20   33   46   55   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     P    20_E     P    20_E     18   40   83      3    3   12   19   41   52   61   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    21_E     A    21_E      5   41   83      3    4    5   11   25   33   41   49   68   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     S    22_E     S    22_E     24   62   83      3    6   23   28   41   48   58   66   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    23_E     A    23_E     26   62   83      4   18   34   46   54   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    24_E     K    24_E     26   62   83     13   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    25_E     E    25_E     26   62   83     13   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    26_E     L    26_E     26   62   83     13   25   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     Q    27_E     Q    27_E     26   62   83     12   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    28_E     L    28_E     26   62   83     13   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    29_E     E    29_E     26   62   83     13   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    30_E     L    30_E     26   62   83     12   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     I    31_E     I    31_E     26   62   83     13   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    32_E     K    32_E     26   62   83     13   25   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     Q    33_E     Q    33_E     26   62   83     13   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     F    34_E     F    34_E     26   62   83     13   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     M    35_E     M    35_E     26   62   83     13   20   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    36_E     A    36_E     26   62   83     13   18   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    37_E     E    37_E     26   62   83     13   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    38_E     A    38_E     26   62   83     13   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     M    39_E     M    39_E     26   62   83     10   21   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    40_E     K    40_E     26   62   83      7   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     I    41_E     I    41_E     26   62   83     14   21   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     G    42_E     G    42_E     26   62   83      6   21   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     N    43_E     N    43_E     26   62   83     14   21   29   43   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    44_E     K    44_E     26   62   83     14   21   28   42   54   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    45_E     E    45_E     26   62   83     14   21   26   42   53   60   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     G    46_E     G    46_E     26   62   83     14   21   26   42   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    47_E     L    47_E     26   62   83     14   21   31   44   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    48_E     L    48_E     26   62   83     14   21   28   42   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    49_E     L    49_E     24   62   83     14   21   26   42   54   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    50_E     L    50_E     24   62   83     14   21   27   44   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    51_E     A    51_E     24   62   83     14   21   31   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    52_E     E    52_E     24   62   83     14   21   28   42   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     R    53_E     R    53_E     24   62   83     14   21   26   42   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    54_E     L    54_E     24   62   83     14   21   34   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    55_E     E    55_E     24   62   83     14   21   34   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    56_E     A    56_E     24   62   83     14   21   31   43   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    57_E     L    57_E     24   62   83     12   21   34   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    58_E     K    58_E     24   62   83      6   24   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     P    59_E     P    59_E     23   62   83      6   21   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    60_E     K    60_E     22   62   83      4   20   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     V    61_E     V    61_E     22   62   83      4    9   33   43   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     S    62_E     S    62_E     22   62   83      3    9   21   34   51   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     P    63_E     P    63_E     22   62   83      3   20   25   41   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    64_E     E    64_E     22   62   83      3   16   33   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     I    65_E     I    65_E     22   62   83     10   23   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    66_E     A    66_E     22   62   83      9   25   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     V    67_E     V    67_E     22   62   83     11   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    68_E     L    68_E     22   62   83      9   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     V    69_E     V    69_E     22   62   83     11   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    70_E     E    70_E     22   62   83     11   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    71_E     K    71_E     22   62   83      9   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    72_E     A    72_E     22   62   83     11   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    73_E     A    73_E     22   62   83     11   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    74_E     E    74_E     22   62   83      9   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     M    75_E     M    75_E     22   62   83     11   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    76_E     L    76_E     22   62   83     11   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    77_E     K    77_E     22   62   83      9   26   35   46   54   61   63   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    78_E     L    78_E     22   62   83      6   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    79_E     L    79_E     22   62   83      7   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    80_E     A    80_E     22   62   83     11   26   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    81_E     K    81_E     22   62   83      6   20   35   46   54   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    82_E     A    82_E     22   62   83      4    7   19   42   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    83_E     L    83_E     22   62   83      5   19   35   46   55   61   64   68   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  62.99  (  26.51   62.48  100.00 )

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     26     35     46     55     61     64     68     70     74     77     80     82     82     83     83     83     83     83     83 
GDT PERCENT_AT  16.87  31.33  42.17  55.42  66.27  73.49  77.11  81.93  84.34  89.16  92.77  96.39  98.80  98.80 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.24   0.66   0.89   1.25   1.66   1.78   1.96   2.15   2.27   2.54   2.73   2.98   3.20   3.20   3.32   3.32   3.32   3.32   3.32   3.32
GDT RMS_ALL_AT   5.25   4.04   4.03   3.74   3.47   3.46   3.44   3.42   3.40   3.37   3.36   3.34   3.33   3.33   3.32   3.32   3.32   3.32   3.32   3.32

# Checking swapping
#   possible swapping detected:  F    10_E      F    10_E
#   possible swapping detected:  E    14_E      E    14_E
#   possible swapping detected:  E    29_E      E    29_E
#   possible swapping detected:  E    37_E      E    37_E
#   possible swapping detected:  E    45_E      E    45_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     8.644     0    0.071   1.190    15.878    6.905    3.631
LGA    S     2_E      S     2_E     5.349     0    0.536   0.509     6.764   20.714   24.286
LGA    G     3_E      G     3_E     4.222     0    0.663   0.663     4.222   48.690   48.690
LGA    D     4_E      D     4_E     5.135     0    0.650   1.221     8.178   23.214   14.583
LGA    N     5_E      N     5_E     9.305     0    0.028   1.380    15.562    3.690    1.845
LGA    F     6_E      F     6_E     7.585     0    0.121   1.425    13.966   16.190    6.320
LGA    L     7_E      L     7_E     1.577     0    0.054   0.751     6.683   67.143   49.583
LGA    K     8_E      K     8_E     6.009     0    0.047   0.162    15.300   22.143   10.212
LGA    A     9_E      A     9_E     8.310     0    0.036   0.042    10.508   10.357    8.286
LGA    F    10_E      F    10_E     5.723     0    0.060   1.436    12.850   30.833   13.377
LGA    A    11_E      A    11_E     2.147     0    0.070   0.068     4.337   66.786   60.857
LGA    A    12_E      A    12_E     5.881     0    0.038   0.042     8.550   28.095   23.048
LGA    L    13_E      L    13_E     7.016     0    0.081   1.405    12.990   19.762   10.060
LGA    E    14_E      E    14_E     4.839     0    0.029   1.105    11.609   38.929   19.735
LGA    A    15_E      A    15_E     3.497     0    0.062   0.061     5.651   55.476   48.667
LGA    L    16_E      L    16_E     5.018     0    0.067   0.113    12.212   36.190   19.048
LGA    A    17_E      A    17_E     5.908     0    0.080   0.079     7.926   27.857   23.714
LGA    A    18_E      A    18_E     5.152     0    0.209   0.207     6.867   34.524   30.286
LGA    L    19_E      L    19_E     3.777     0    0.588   0.952     8.301   59.762   35.000
LGA    P    20_E      P    20_E     4.214     0    0.718   0.806     7.163   35.714   27.959
LGA    A    21_E      A    21_E     7.025     0    0.657   0.589     9.048   18.571   15.143
LGA    S    22_E      S    22_E     4.945     0    0.070   0.728     5.648   40.000   36.270
LGA    A    23_E      A    23_E     1.991     0    0.312   0.320     3.228   69.286   65.429
LGA    K    24_E      K    24_E     1.161     0    0.031   0.578     2.303   85.952   80.635
LGA    E    25_E      E    25_E     0.531     0    0.038   0.613     1.631   90.476   88.519
LGA    L    26_E      L    26_E     0.935     0    0.046   0.128     1.573   90.476   83.810
LGA    Q    27_E      Q    27_E     0.638     0    0.031   1.376     5.287   95.238   75.291
LGA    L    28_E      L    28_E     0.565     0    0.053   0.955     3.417   92.857   82.202
LGA    E    29_E      E    29_E     0.742     0    0.057   0.669     1.194   90.476   90.529
LGA    L    30_E      L    30_E     0.490     0    0.064   1.029     2.616   95.238   86.667
LGA    I    31_E      I    31_E     0.924     0    0.030   0.637     2.490   85.952   83.869
LGA    K    32_E      K    32_E     1.478     0    0.064   0.745     3.721   75.119   71.693
LGA    Q    33_E      Q    33_E     1.423     0    0.031   0.899     3.269   79.286   75.079
LGA    F    34_E      F    34_E     1.184     0    0.031   1.305     6.299   79.286   59.177
LGA    M    35_E      M    35_E     1.727     0    0.045   0.965     4.602   72.976   67.083
LGA    A    36_E      A    36_E     2.236     0    0.046   0.048     2.696   64.881   64.857
LGA    E    37_E      E    37_E     1.843     0    0.056   0.835     3.824   72.857   60.476
LGA    A    38_E      A    38_E     1.827     0    0.106   0.104     1.895   72.857   72.857
LGA    M    39_E      M    39_E     2.411     0    0.116   0.856     3.024   64.762   62.976
LGA    K    40_E      K    40_E     1.595     0    0.142   0.594     4.298   77.143   70.794
LGA    I    41_E      I    41_E     0.441     0    0.565   0.562     3.364   80.476   84.405
LGA    G    42_E      G    42_E     1.036     0    0.098   0.098     1.948   79.286   79.286
LGA    N    43_E      N    43_E     2.043     0    0.034   0.378     3.531   66.786   62.143
LGA    K    44_E      K    44_E     3.226     0    0.039   1.004     9.147   51.786   34.921
LGA    E    45_E      E    45_E     3.936     0    0.029   0.779     7.570   45.000   32.116
LGA    G    46_E      G    46_E     2.726     0    0.039   0.039     3.061   59.167   59.167
LGA    L    47_E      L    47_E     1.688     0    0.025   1.429     3.687   68.810   61.488
LGA    L    48_E      L    48_E     2.870     0    0.037   0.060     4.751   57.143   48.750
LGA    L    49_E      L    49_E     3.233     0    0.031   0.988     7.230   53.571   37.738
LGA    L    50_E      L    50_E     1.905     0    0.062   0.187     2.289   72.976   72.976
LGA    A    51_E      A    51_E     1.337     0    0.034   0.047     1.720   79.286   78.000
LGA    E    52_E      E    52_E     2.717     0    0.033   0.838     5.530   60.952   45.503
LGA    R    53_E      R    53_E     2.734     0    0.068   1.118     5.030   60.952   50.087
LGA    L    54_E      L    54_E     1.361     0    0.053   1.424     3.164   81.548   74.583
LGA    E    55_E      E    55_E     1.205     0    0.046   0.688     3.926   81.429   65.767
LGA    A    56_E      A    56_E     2.128     0    0.147   0.146     2.885   70.833   68.095
LGA    L    57_E      L    57_E     1.776     0    0.175   0.262     2.638   77.143   71.012
LGA    K    58_E      K    58_E     0.830     0    0.084   1.043     7.167   88.214   64.021
LGA    P    59_E      P    59_E     1.799     0    0.046   0.313     2.814   72.976   68.367
LGA    K    60_E      K    60_E     2.046     0    0.159   0.857     3.745   59.524   59.259
LGA    V    61_E      V    61_E     2.327     0    0.029   0.112     2.765   62.976   68.571
LGA    S    62_E      S    62_E     3.468     0    0.097   0.728     4.132   57.500   50.714
LGA    P    63_E      P    63_E     2.677     0    0.061   0.377     4.703   60.952   50.816
LGA    E    64_E      E    64_E     1.502     0    0.228   0.737     3.225   75.000   66.984
LGA    I    65_E      I    65_E     0.633     0    0.194   1.414     3.459   95.238   79.405
LGA    A    66_E      A    66_E     0.786     0    0.059   0.059     1.336   90.595   88.762
LGA    V    67_E      V    67_E     1.258     0    0.044   0.130     1.975   83.690   79.048
LGA    L    68_E      L    68_E     0.902     0    0.071   0.156     1.949   88.214   83.810
LGA    V    69_E      V    69_E     0.912     0    0.038   1.173     2.877   85.952   79.456
LGA    E    70_E      E    70_E     1.645     0    0.041   0.754     2.233   72.976   74.021
LGA    K    71_E      K    71_E     1.885     0    0.121   0.370     6.452   77.143   56.772
LGA    A    72_E      A    72_E     1.090     0    0.036   0.041     1.722   79.286   81.524
LGA    A    73_E      A    73_E     1.854     0    0.053   0.072     2.228   68.810   68.000
LGA    E    74_E      E    74_E     2.376     0    0.115   0.905     3.362   68.810   66.772
LGA    M    75_E      M    75_E     1.752     0    0.033   1.151     3.735   72.857   69.167
LGA    L    76_E      L    76_E     1.830     0    0.046   0.067     2.262   68.810   68.810
LGA    K    77_E      K    77_E     2.888     0    0.060   0.668     6.111   60.952   41.534
LGA    L    78_E      L    78_E     1.997     0    0.067   0.780     4.648   75.119   58.929
LGA    L    79_E      L    79_E     0.869     0    0.051   1.246     3.900   85.952   75.774
LGA    A    80_E      A    80_E     2.109     0    0.082   0.081     3.152   70.833   66.667
LGA    K    81_E      K    81_E     2.536     0    0.114   0.838     8.261   60.952   40.688
LGA    A    82_E      A    82_E     2.177     0    0.102   0.101     2.654   70.833   68.095
LGA    L    83_E      L    83_E     0.866     0    0.482   1.248     4.804   83.810   69.643

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     623    623  100.00                83
SUMMARY(RMSD_GDC):     3.324          3.083                  4.351           63.275   55.954

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   83    4.0     68    2.15    67.169    69.942     3.019

LGA_LOCAL      RMSD:   2.153  Number of atoms:   68  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.417  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   3.324  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.216846 * X  +  -0.846127 * Y  +   0.486874 * Z  +  -5.935278
  Y_new =  -0.524908 * X  +   0.319445 * Y  +   0.788940 * Z  + -51.199787
  Z_new =  -0.823073 * X  +  -0.426643 * Y  +  -0.374868 * Z  + -35.924648 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.179037  0.966801 -2.291687   [DEG:  -67.5538   55.3936 -131.3040 ]
ZXZ:  2.588677  1.955051 -2.049019   [DEG:  148.3203  112.0162 -117.4001 ]
 
# END of job
