
#######################################################
#                                                     #
#                        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        3.37     3.37
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      22_E - 83_E        1.94     3.48
  LCS_AVERAGE:     62.29

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    26      23_E - 48_E        0.97     4.39
  LCS_AVERAGE:     26.33

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      4    4   83      3    3    4    7   10   16   16   34   44   56   66   71   74   78   83   83   83   83   83   83 
LCS_GDT     S     2_E     S     2_E      4   19   83      3    3    4    4   17   40   55   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    8   16   18   31   55   64   67   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   16   18   43   55   63   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     N     5_E     N     5_E     18   19   83      4   15   16   18   18   18   19   19   20   25   64   77   82   82   83   83   83   83   83   83 
LCS_GDT     F     6_E     F     6_E     18   19   83     11   15   16   18   18   18   19   43   57   70   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L     7_E     L     7_E     18   19   83     11   19   31   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K     8_E     K     8_E     18   19   83     10   15   16   18   18   18   50   57   69   73   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A     9_E     A     9_E     18   19   83      9   15   16   18   18   18   19   19   20   60   73   78   82   82   83   83   83   83   83   83 
LCS_GDT     F    10_E     F    10_E     18   19   83     11   15   16   18   18   35   39   53   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    11_E     A    11_E     18   19   83     11   17   36   48   55   62   64   67   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   16   18   18   18   19   50   68   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    13_E     L    13_E     18   19   83     11   15   16   18   18   18   19   22   57   71   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    14_E     E    14_E     18   19   83     11   15   16   18   39   52   62   65   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    15_E     A    15_E     18   19   83     11   15   21   39   49   55   63   67   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   16   18   18   21   49   63   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   16   29   35   44   56   64   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    18_E     A    18_E     18   19   83     10   15   16   18   18   18   50   55   67   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    19_E     L    19_E     18   39   83      4    9   21   28   37   54   59   67   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   10   28   41   52   60   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    21_E     A    21_E      4   41   83      3    4    5   14   27   36   44   53   67   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     S    22_E     S    22_E     24   62   83      3    6   18   29   41   50   58   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    23_E     A    23_E     26   62   83     10   19   36   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    24_E     K    24_E     26   62   83     12   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    25_E     E    25_E     26   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    26_E     L    26_E     26   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     Q    27_E     Q    27_E     26   62   83     12   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    28_E     L    28_E     26   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    29_E     E    29_E     26   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    30_E     L    30_E     26   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     I    31_E     I    31_E     26   62   83     13   29   37   48   55   62   64   67   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   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     Q    33_E     Q    33_E     26   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     F    34_E     F    34_E     26   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     M    35_E     M    35_E     26   62   83     13   25   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    36_E     A    36_E     26   62   83     13   19   36   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    37_E     E    37_E     26   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    38_E     A    38_E     26   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     M    39_E     M    39_E     26   62   83     13   19   36   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    40_E     K    40_E     26   62   83      5   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     I    41_E     I    41_E     26   62   83     13   20   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     G    42_E     G    42_E     26   62   83      5   23   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     N    43_E     N    43_E     26   62   83      6   19   31   47   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    44_E     K    44_E     26   62   83      5   19   28   44   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    45_E     E    45_E     26   62   83     13   19   26   42   54   61   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     G    46_E     G    46_E     26   62   83     13   19   28   44   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    47_E     L    47_E     26   62   83     13   19   31   47   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    48_E     L    48_E     26   62   83     13   19   28   44   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    49_E     L    49_E     23   62   83     13   19   26   44   54   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    50_E     L    50_E     23   62   83     13   19   27   47   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    51_E     A    51_E     23   62   83     13   19   32   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    52_E     E    52_E     23   62   83     13   19   28   44   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     R    53_E     R    53_E     23   62   83     13   19   26   44   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    54_E     L    54_E     23   62   83     13   19   35   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    55_E     E    55_E     23   62   83     13   19   35   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    56_E     A    56_E     23   62   83     13   19   31   47   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    57_E     L    57_E     23   62   83     12   19   35   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    58_E     K    58_E     23   62   83      5   28   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     P    59_E     P    59_E     22   62   83      5   17   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    60_E     K    60_E     22   62   83      5   25   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     V    61_E     V    61_E     22   62   83      5   23   34   45   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     S    62_E     S    62_E     22   62   83      4   11   25   37   48   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     P    63_E     P    63_E     22   62   83      4    8   23   38   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    64_E     E    64_E     22   62   83      4   14   34   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     I    65_E     I    65_E     22   62   83     10   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    66_E     A    66_E     22   62   83      7   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     V    67_E     V    67_E     22   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    68_E     L    68_E     22   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     V    69_E     V    69_E     22   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    70_E     E    70_E     22   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    71_E     K    71_E     22   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    72_E     A    72_E     22   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    73_E     A    73_E     22   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     E    74_E     E    74_E     22   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     M    75_E     M    75_E     22   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    76_E     L    76_E     22   62   83     13   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    77_E     K    77_E     22   62   83     12   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    78_E     L    78_E     22   62   83      7   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    79_E     L    79_E     22   62   83     12   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    80_E     A    80_E     22   62   83     12   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     K    81_E     K    81_E     22   62   83      7   29   37   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     A    82_E     A    82_E     22   62   83      4    9   25   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_GDT     L    83_E     L    83_E     20   62   83      0   17   34   48   55   62   64   67   70   74   77   80   82   82   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  62.87  (  26.33   62.29  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     13     29     37     48     55     62     64     67     70     74     77     80     82     82     83     83     83     83     83     83 
GDT PERCENT_AT  15.66  34.94  44.58  57.83  66.27  74.70  77.11  80.72  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    0.26   0.66   0.87   1.24   1.49   1.80   1.91   2.07   2.24   2.50   2.72   2.96   3.20   3.20   3.37   3.37   3.37   3.37   3.37   3.37
GDT RMS_ALL_AT   5.35   3.98   3.91   3.73   3.58   3.51   3.49   3.49   3.46   3.45   3.41   3.39   3.38   3.38   3.37   3.37   3.37   3.37   3.37   3.37

# Checking swapping
#   possible swapping detected:  F     6_E      F     6_E
#   possible swapping detected:  F    10_E      F    10_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
#   possible swapping detected:  E    74_E      E    74_E

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_E      M     1_E    10.844     0    0.341   0.709    13.525    1.905    0.952
LGA    S     2_E      S     2_E     6.150     0    0.370   0.719     7.853   14.762   17.063
LGA    G     3_E      G     3_E     4.467     0    0.676   0.676     4.765   43.929   43.929
LGA    D     4_E      D     4_E     4.231     0    0.611   0.893     7.764   30.476   22.619
LGA    N     5_E      N     5_E     8.911     0    0.038   1.129    13.903    5.952    2.976
LGA    F     6_E      F     6_E     7.723     0    0.109   1.272    14.509   13.929    5.325
LGA    L     7_E      L     7_E     1.839     0    0.058   0.362     6.428   69.286   51.667
LGA    K     8_E      K     8_E     5.659     0    0.035   0.277    14.444   26.905   12.646
LGA    A     9_E      A     9_E     8.418     0    0.044   0.046    10.629    8.810    7.048
LGA    F    10_E      F    10_E     6.085     0    0.056   1.430    12.713   26.786   11.299
LGA    A    11_E      A    11_E     2.078     0    0.068   0.066     4.096   66.786   60.857
LGA    A    12_E      A    12_E     5.908     0    0.036   0.040     8.572   26.905   22.095
LGA    L    13_E      L    13_E     7.139     0    0.066   1.441    13.052   18.571    9.464
LGA    E    14_E      E    14_E     4.813     0    0.032   1.051    12.150   38.929   19.735
LGA    A    15_E      A    15_E     3.508     0    0.056   0.055     5.704   53.810   47.333
LGA    L    16_E      L    16_E     5.188     0    0.061   1.395    12.183   34.524   18.214
LGA    A    17_E      A    17_E     5.907     0    0.069   0.068     7.894   26.429   22.571
LGA    A    18_E      A    18_E     5.078     0    0.204   0.203     6.806   36.071   31.524
LGA    L    19_E      L    19_E     3.998     0    0.590   1.178     8.755   55.833   32.560
LGA    P    20_E      P    20_E     4.324     0    0.712   0.724     7.386   37.143   27.551
LGA    A    21_E      A    21_E     6.921     0    0.661   0.596     8.991   19.405   16.095
LGA    S    22_E      S    22_E     4.914     0    0.065   0.488     5.571   40.000   39.365
LGA    A    23_E      A    23_E     1.729     0    0.357   0.377     2.963   73.214   70.000
LGA    K    24_E      K    24_E     1.166     0    0.032   0.703     3.028   85.952   78.254
LGA    E    25_E      E    25_E     0.806     0    0.032   0.867     2.499   90.476   81.693
LGA    L    26_E      L    26_E     0.725     0    0.066   1.022     2.767   90.476   83.095
LGA    Q    27_E      Q    27_E     0.619     0    0.025   0.571     1.746   90.476   87.513
LGA    L    28_E      L    28_E     0.451     0    0.062   1.407     3.486   95.238   80.417
LGA    E    29_E      E    29_E     0.571     0    0.046   0.575     1.484   92.857   87.513
LGA    L    30_E      L    30_E     0.336     0    0.092   0.085     0.415  100.000  100.000
LGA    I    31_E      I    31_E     0.979     0    0.028   1.475     3.666   85.952   75.774
LGA    K    32_E      K    32_E     1.346     0    0.030   1.045     5.200   79.286   70.688
LGA    Q    33_E      Q    33_E     1.089     0    0.031   0.971     3.436   81.429   72.434
LGA    F    34_E      F    34_E     0.912     0    0.031   1.320     6.435   85.952   61.126
LGA    M    35_E      M    35_E     1.419     0    0.072   1.047     4.754   77.143   69.107
LGA    A    36_E      A    36_E     1.944     0    0.042   0.046     2.382   68.810   69.619
LGA    E    37_E      E    37_E     1.541     0    0.031   1.059     4.421   72.857   62.275
LGA    A    38_E      A    38_E     1.526     0    0.111   0.110     1.592   75.000   74.571
LGA    M    39_E      M    39_E     2.129     0    0.120   1.112     2.708   68.810   65.893
LGA    K    40_E      K    40_E     1.468     0    0.214   1.121     4.182   77.143   66.614
LGA    I    41_E      I    41_E     0.504     0    0.576   1.030     3.184   82.738   79.345
LGA    G    42_E      G    42_E     1.081     0    0.093   0.093     1.607   79.286   79.286
LGA    N    43_E      N    43_E     1.789     0    0.070   0.793     5.463   70.952   57.202
LGA    K    44_E      K    44_E     3.350     0    0.022   0.860     7.255   48.452   38.783
LGA    E    45_E      E    45_E     4.235     0    0.032   0.707     6.405   41.786   34.497
LGA    G    46_E      G    46_E     3.071     0    0.040   0.040     3.385   55.476   55.476
LGA    L    47_E      L    47_E     1.911     0    0.039   1.372     3.175   68.810   66.012
LGA    L    48_E      L    48_E     3.149     0    0.048   0.069     5.094   53.571   43.988
LGA    L    49_E      L    49_E     3.558     0    0.036   1.164     8.588   48.333   32.500
LGA    L    50_E      L    50_E     2.170     0    0.064   0.215     2.503   66.905   68.869
LGA    A    51_E      A    51_E     1.495     0    0.042   0.061     1.903   75.000   74.571
LGA    E    52_E      E    52_E     2.988     0    0.044   1.231     8.934   57.143   37.407
LGA    R    53_E      R    53_E     2.889     0    0.083   0.953     4.055   60.952   57.706
LGA    L    54_E      L    54_E     1.463     0    0.053   1.160     2.723   81.548   77.500
LGA    E    55_E      E    55_E     1.348     0    0.057   0.635     3.701   81.429   67.249
LGA    A    56_E      A    56_E     2.106     0    0.146   0.146     2.887   70.833   68.095
LGA    L    57_E      L    57_E     1.669     0    0.150   0.158     2.596   79.405   71.190
LGA    K    58_E      K    58_E     0.807     0    0.088   0.985     1.916   88.214   85.503
LGA    P    59_E      P    59_E     1.831     0    0.047   0.399     3.065   72.976   68.503
LGA    K    60_E      K    60_E     1.913     0    0.161   0.723     3.771   63.690   65.556
LGA    V    61_E      V    61_E     2.241     0    0.038   0.122     2.870   62.976   69.728
LGA    S    62_E      S    62_E     3.493     0    0.092   0.511     3.970   55.476   53.730
LGA    P    63_E      P    63_E     3.053     0    0.029   0.357     5.146   57.381   47.143
LGA    E    64_E      E    64_E     1.588     0    0.257   0.605     2.340   72.976   71.164
LGA    I    65_E      I    65_E     0.560     0    0.171   0.165     2.035   95.238   85.179
LGA    A    66_E      A    66_E     0.620     0    0.066   0.065     0.920   92.857   92.381
LGA    V    67_E      V    67_E     0.665     0    0.041   0.113     1.010   90.595   90.544
LGA    L    68_E      L    68_E     0.739     0    0.065   0.848     3.715   88.214   80.119
LGA    V    69_E      V    69_E     0.832     0    0.031   1.198     2.674   85.952   79.456
LGA    E    70_E      E    70_E     1.088     0    0.036   0.217     1.488   83.690   87.513
LGA    K    71_E      K    71_E     1.419     0    0.078   1.086     7.666   81.429   58.254
LGA    A    72_E      A    72_E     1.199     0    0.041   0.044     1.653   79.286   81.524
LGA    A    73_E      A    73_E     1.527     0    0.051   0.070     1.776   75.000   74.571
LGA    E    74_E      E    74_E     1.819     0    0.072   0.971     5.104   75.000   57.249
LGA    M    75_E      M    75_E     1.517     0    0.037   1.038     3.542   75.000   66.488
LGA    L    76_E      L    76_E     1.581     0    0.044   0.079     1.845   72.857   75.000
LGA    K    77_E      K    77_E     2.468     0    0.041   0.492     4.032   64.762   56.720
LGA    L    78_E      L    78_E     2.049     0    0.093   1.362     5.391   70.952   56.131
LGA    L    79_E      L    79_E     0.956     0    0.060   0.384     1.320   85.952   87.083
LGA    A    80_E      A    80_E     2.096     0    0.087   0.085     2.999   70.833   68.095
LGA    K    81_E      K    81_E     2.334     0    0.100   0.829     7.173   66.786   47.090
LGA    A    82_E      A    82_E     1.830     0    0.087   0.085     2.229   77.143   74.667
LGA    L    83_E      L    83_E     1.833     0    0.555   0.495     3.333   72.976   64.167

# 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):     3.372          3.140                  4.287           63.723   57.021

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   83    4.0     67    2.07    68.373    70.539     3.084

LGA_LOCAL      RMSD:   2.073  Number of atoms:   67  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.490  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   3.372  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.220684 * X  +  -0.843734 * Y  +   0.489298 * Z  +  -5.937093
  Y_new =  -0.504275 * X  +   0.330710 * Y  +   0.797707 * Z  + -51.786114
  Z_new =  -0.834868 * X  +  -0.422782 * Y  +  -0.352492 * Z  + -35.871857 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.158281  0.987894 -2.265777   [DEG:  -66.3646   56.6021 -129.8195 ]
ZXZ:  2.591393  1.931029 -2.039555   [DEG:  148.4759  110.6398 -116.8579 ]
 
# END of job
