
#######################################################
#                                                     #
#                        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 (  674),  selected   79 , name one
# Molecule2: number of CA atoms   79 (  632),  selected   79 , 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:    79       3_A - 81_A        2.41     2.41
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61      15_A - 75_A        2.00     2.68
  LCS_AVERAGE:     76.06

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40       4_A - 43_A        0.99     5.69
  LCS_AVERAGE:     45.20

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   79
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     L     3_A     L     3_A     39   60   79      4   24   31   41   46   58   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L     4_A     L     4_A     40   60   79     20   29   40   46   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L     5_A     L     5_A     40   60   79     20   29   40   46   57   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C     6_A     C     6_A     40   60   79     20   29   40   46   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P     7_A     P     7_A     40   60   79     14   29   40   46   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     N     8_A     N     8_A     40   60   79     20   29   40   46   51   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C     9_A     C     9_A     40   60   79     20   29   40   46   51   59   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    10_A     Q    10_A     40   60   79     17   29   40   46   51   62   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    11_A     V    11_A     40   60   79     14   29   40   46   50   58   71   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    12_A     G    12_A     40   60   79     20   29   40   46   54   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    13_A     M    13_A     40   60   79     20   29   40   46   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    14_A     R    14_A     40   60   79     20   29   40   46   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    15_A     E    15_A     40   61   79     18   29   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    16_A     V    16_A     40   61   79     20   29   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    17_A     E    17_A     40   61   79     20   29   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    18_A     R    18_A     40   61   79      9   29   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    19_A     R    19_A     40   61   79      7   28   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    20_A     G    20_A     40   61   79      8   29   40   46   56   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    21_A     V    21_A     40   61   79     20   29   40   46   55   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    22_A     L    22_A     40   61   79     15   29   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     I    23_A     I    23_A     40   61   79     20   29   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    24_A     D    24_A     40   61   79     20   29   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    25_A     V    25_A     40   61   79     20   29   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C    26_A     C    26_A     40   61   79     20   29   40   46   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    27_A     P    27_A     40   61   79     20   29   40   46   51   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Q    28_A     Q    28_A     40   61   79     20   29   40   46   51   59   70   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     C    29_A     C    29_A     40   61   79     20   29   40   46   51   59   70   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    30_A     G    30_A     40   61   79     20   29   40   46   51   61   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    31_A     G    31_A     40   61   79     17   29   40   46   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    32_A     V    32_A     40   61   79     20   29   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     W    33_A     W    33_A     40   61   79     20   29   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    34_A     L    34_A     40   61   79     20   29   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    35_A     D    35_A     40   61   79     12   27   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    36_A     K    36_A     40   61   79     14   28   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    37_A     G    37_A     40   61   79     14   27   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    38_A     E    38_A     40   61   79     14   27   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    39_A     L    39_A     40   61   79     14   28   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    40_A     E    40_A     40   61   79     14   27   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    41_A     K    41_A     40   61   79     14   27   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    42_A     L    42_A     40   61   79     12   27   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    43_A     L    43_A     40   61   79     14   27   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    44_A     A    44_A     38   61   79     14   27   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    45_A     E    45_A     38   61   79     13   27   40   47   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     A    46_A     A    46_A     38   61   79     14   27   40   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    47_A     E    47_A     38   61   79     14   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    48_A     E    48_A     38   61   79     14   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     V    49_A     V    49_A     38   61   79     14   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    50_A     E    50_A     38   61   79     16   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    51_A     R    51_A     38   61   79     16   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    52_A     R    52_A     38   61   79     14   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    53_A     Y    53_A     38   61   79     16   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    54_A     E    54_A     38   61   79     16   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    55_A     E    55_A     38   61   79     16   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    56_A     E    56_A     38   61   79     16   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    57_A     L    57_A     38   61   79     16   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    58_A     E    58_A     38   61   79     16   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    59_A     G    59_A     38   61   79     16   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    60_A     F    60_A     38   61   79     16   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    61_A     Y    61_A     38   61   79     16   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    62_A     R    62_A     38   61   79     16   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    63_A     K    63_A     38   61   79     16   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     E    64_A     E    64_A     38   61   79     16   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    65_A     G    65_A     38   61   79     16   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    66_A     K    66_A     38   61   79     16   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     P    67_A     P    67_A     38   61   79      4   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     Y    68_A     Y    68_A     38   61   79      4   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    69_A     K    69_A     38   61   79      3   17   36   47   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     R    70_A     R    70_A     38   61   79      8   17   27   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    71_A     K    71_A     31   61   79      3   10   22   27   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    72_A     K    72_A     23   61   79      3    5    9   22   28   55   70   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     G    73_A     G    73_A     22   61   79      3   13   22   27   55   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    74_A     F    74_A     22   61   79      4    5   23   47   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     M    75_A     M    75_A     22   61   79      7   17   27   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     K    76_A     K    76_A      6   51   79      4    6   24   42   55   66   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    77_A     L    77_A      6   51   79      4   27   37   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    78_A     F    78_A      6   51   79      3    6   25   49   60   67   72   76   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     D    79_A     D    79_A      6   51   79      3    6    9   14   36   47   70   75   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     L    80_A     L    80_A      6   51   79      3    6    9   13   19   42   59   74   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_GDT     F    81_A     F    81_A      6   51   79      3    6    9   13   14   24   38   69   79   79   79   79   79   79   79   79   79   79   79   79 
LCS_AVERAGE  LCS_A:  73.75  (  45.20   76.06  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     20     29     40     49     60     67     72     76     79     79     79     79     79     79     79     79     79     79     79     79 
GDT PERCENT_AT  25.32  36.71  50.63  62.03  75.95  84.81  91.14  96.20 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.28   0.49   0.99   1.36   1.76   1.97   2.15   2.28   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41
GDT RMS_ALL_AT   8.40   7.96   5.69   2.99   2.60   2.50   2.44   2.43   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41   2.41

# Checking swapping
#   possible swapping detected:  E    15_A      E    15_A
#   possible swapping detected:  E    17_A      E    17_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  F    60_A      F    60_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  F    74_A      F    74_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    L     3_A      L     3_A     3.552     0    0.483   1.393     9.046   42.381   25.893
LGA    L     4_A      L     4_A     1.997     0    0.076   1.303     4.058   68.810   62.440
LGA    L     5_A      L     5_A     2.373     4    0.021   0.021     2.373   68.810   34.405
LGA    C     6_A      C     6_A     1.766     0    0.031   0.092     2.306   70.833   68.810
LGA    P     7_A      P     7_A     1.350     0    0.035   0.038     1.869   77.143   82.857
LGA    N     8_A      N     8_A     2.776     0    0.135   0.803     4.310   52.262   53.810
LGA    C     9_A      C     9_A     3.672     0    0.021   0.119     4.174   43.452   43.413
LGA    Q    10_A      Q    10_A     3.489     0    0.083   1.094     5.449   46.667   39.577
LGA    V    11_A      V    11_A     3.866     0    0.053   0.066     4.789   48.452   43.673
LGA    G    12_A      G    12_A     2.743     0    0.009   0.009     3.135   59.167   59.167
LGA    M    13_A      M    13_A     1.326     0    0.025   0.749     2.381   77.143   80.595
LGA    R    14_A      R    14_A     0.985     0    0.119   1.195     5.418   88.214   68.052
LGA    E    15_A      E    15_A     0.660     0    0.029   0.792     1.806   90.476   85.503
LGA    V    16_A      V    16_A     1.046     0    0.044   0.063     1.376   83.690   85.306
LGA    E    17_A      E    17_A     1.897     0    0.014   0.223     2.271   75.000   70.212
LGA    R    18_A      R    18_A     1.971     3    0.037   0.786     2.987   68.810   49.351
LGA    R    19_A      R    19_A     2.353     5    0.031   0.421     2.814   60.952   33.939
LGA    G    20_A      G    20_A     2.824     0    0.129   0.129     2.873   57.143   57.143
LGA    V    21_A      V    21_A     3.044     0    0.015   0.088     3.572   57.262   53.197
LGA    L    22_A      L    22_A     2.388     0    0.092   0.872     4.465   62.857   57.500
LGA    I    23_A      I    23_A     1.785     0    0.022   1.186     4.338   79.405   69.702
LGA    D    24_A      D    24_A     0.747     0    0.056   0.285     1.891   88.214   84.881
LGA    V    25_A      V    25_A     1.153     0    0.025   0.088     1.824   83.690   81.497
LGA    C    26_A      C    26_A     1.905     0    0.056   0.083     2.647   66.905   64.921
LGA    P    27_A      P    27_A     2.889     0    0.011   0.037     3.729   51.905   55.238
LGA    Q    28_A      Q    28_A     3.925     0    0.063   0.776     4.654   41.786   40.053
LGA    C    29_A      C    29_A     3.839     0    0.057   0.093     3.981   43.333   45.635
LGA    G    30_A      G    30_A     3.322     0    0.025   0.025     3.395   51.786   51.786
LGA    G    31_A      G    31_A     2.210     0    0.101   0.101     2.550   66.905   66.905
LGA    V    32_A      V    32_A     1.964     0    0.044   1.042     4.242   68.810   63.129
LGA    W    33_A      W    33_A     1.412     0    0.015   0.454     2.397   79.286   80.408
LGA    L    34_A      L    34_A     1.802     0    0.055   0.621     2.718   72.857   70.952
LGA    D    35_A      D    35_A     1.896     0    0.041   0.172     1.989   72.857   73.929
LGA    K    36_A      K    36_A     2.163     0    0.018   0.858     6.677   64.762   52.910
LGA    G    37_A      G    37_A     2.087     0    0.101   0.101     2.417   64.762   64.762
LGA    E    38_A      E    38_A     1.976     0    0.029   0.975     3.250   68.810   68.519
LGA    L    39_A      L    39_A     2.021     0    0.033   0.104     2.075   64.762   67.798
LGA    E    40_A      E    40_A     2.000     0    0.027   0.594     2.622   68.810   69.312
LGA    K    41_A      K    41_A     2.266     0    0.053   0.183     2.889   64.762   63.069
LGA    L    42_A      L    42_A     2.346     0    0.023   1.366     5.588   64.762   53.214
LGA    L    43_A      L    43_A     1.999     0    0.065   0.249     2.174   70.833   69.821
LGA    A    44_A      A    44_A     2.077     0    0.067   0.082     2.184   66.786   66.381
LGA    E    45_A      E    45_A     2.496     0    0.018   0.859     2.894   64.762   63.069
LGA    A    46_A      A    46_A     2.121     0    0.043   0.049     2.278   68.810   68.000
LGA    E    47_A      E    47_A     1.499     0    0.027   0.382     2.528   77.143   73.122
LGA    E    48_A      E    48_A     2.086     0    0.023   1.142     4.631   66.786   52.751
LGA    V    49_A      V    49_A     2.110     0    0.016   0.039     2.572   68.810   65.986
LGA    E    50_A      E    50_A     1.428     0    0.056   0.688     2.130   79.286   80.635
LGA    R    51_A      R    51_A     1.458     0    0.059   1.292     7.555   79.286   52.597
LGA    R    52_A      R    52_A     1.812     0    0.021   1.354     7.055   75.000   56.970
LGA    Y    53_A      Y    53_A     1.389     0    0.005   0.756     2.410   79.286   76.508
LGA    E    54_A      E    54_A     0.856     0    0.073   0.856     4.473   92.857   78.042
LGA    E    55_A      E    55_A     0.671     0    0.023   0.160     1.148   90.476   89.471
LGA    E    56_A      E    56_A     0.746     0    0.020   0.192     1.923   90.476   82.593
LGA    L    57_A      L    57_A     1.133     0    0.062   0.071     1.893   83.690   79.345
LGA    E    58_A      E    58_A     1.034     0    0.043   0.842     3.704   83.690   75.397
LGA    G    59_A      G    59_A     0.928     0    0.009   0.009     1.384   85.952   85.952
LGA    F    60_A      F    60_A     1.651     0    0.074   1.243     5.329   75.000   57.619
LGA    Y    61_A      Y    61_A     2.097     0    0.020   0.126     2.489   66.786   65.437
LGA    R    62_A      R    62_A     2.080     0    0.036   1.206     5.813   64.881   58.355
LGA    K    63_A      K    63_A     2.319     2    0.069   0.684     4.223   60.952   46.508
LGA    E    64_A      E    64_A     2.950     0    0.019   0.433     3.239   53.571   53.968
LGA    G    65_A      G    65_A     2.939     0    0.089   0.089     2.939   57.143   57.143
LGA    K    66_A      K    66_A     2.532     3    0.020   0.025     2.764   60.952   39.788
LGA    P    67_A      P    67_A     2.041     0    0.112   0.396     2.999   68.810   66.054
LGA    Y    68_A      Y    68_A     2.070     0    0.008   0.108     2.458   64.762   73.016
LGA    K    69_A      K    69_A     3.007     2    0.121   0.541     6.047   57.262   35.079
LGA    R    70_A      R    70_A     2.213     0    0.106   1.248     8.034   64.762   47.965
LGA    K    71_A      K    71_A     2.525     0    0.654   0.883     6.015   73.690   50.741
LGA    K    72_A      K    72_A     3.842     0    0.140   0.664     8.287   45.000   33.069
LGA    G    73_A      G    73_A     2.640     0    0.092   0.092     3.093   61.190   61.190
LGA    F    74_A      F    74_A     1.628     0    0.029   1.301     4.017   79.762   67.879
LGA    M    75_A      M    75_A     1.746     0    0.060   0.835     5.133   68.810   57.381
LGA    K    76_A      K    76_A     3.260     0    0.153   0.486     8.303   50.119   34.603
LGA    L    77_A      L    77_A     2.777     0    0.106   0.228     3.460   55.357   54.464
LGA    F    78_A      F    78_A     2.252     0    0.148   0.426     6.432   59.167   41.948
LGA    D    79_A      D    79_A     4.639     0    0.023   0.256     6.287   32.500   27.024
LGA    L    80_A      L    80_A     4.890     0    0.018   0.992     5.982   29.048   30.417
LGA    F    81_A      F    81_A     5.219     0    0.192   0.375     6.451   22.976   37.792

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       79     316    316  100.00     632    632  100.00                79
SUMMARY(RMSD_GDC):     2.415          2.433                  2.875           66.141   60.222

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   82   79    4.0     76    2.28    73.734    79.453     3.192

LGA_LOCAL      RMSD:   2.281  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.434  Number of assigned atoms:   79 
Std_ASGN_ATOMS RMSD:   2.415  Standard rmsd on all 79 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.563631 * X  +  -0.082180 * Y  +  -0.821929 * Z  + -12.086167
  Y_new =  -0.292021 * X  +   0.950608 * Y  +   0.105206 * Z  +  -8.748833
  Z_new =   0.772686 * X  +   0.299318 * Y  +  -0.559790 * Z  +  19.923613 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.663564 -0.883062  2.650575   [DEG: -152.6110  -50.5957  151.8667 ]
ZXZ: -1.698103  2.164929  1.201222   [DEG:  -97.2941  124.0413   68.8250 ]
 
# END of job
