
#######################################################
#                                                     #
#                        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  102 (  824),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  673),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       6_A - 88_A        2.34     2.34
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80       6_A - 85_A        1.94     2.39
  LCS_AVERAGE:     96.34

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      11_A - 84_A        0.86     2.60
  LCS_AVERAGE:     80.01

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     R     6_B     R     6_A      4   80   83      0    4    5   25   43   73   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     K     7_B     K     7_A      5   80   83      4    8   20   31   43   56   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     P     8_B     P     8_A      5   80   83      4   10   20   31   43   72   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     K     9_B     K     9_A      5   80   83      4   13   20   31   63   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     A    10_B     A    10_A      5   80   83      4   10   20   31   70   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     74   80   83      0   26   53   70   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     74   80   83     17   63   70   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     74   80   83     24   65   70   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     74   80   83     41   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     74   80   83     24   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     74   80   83     41   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     74   80   83     17   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     74   80   83     19   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     74   80   83     16   49   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     74   80   83     13   49   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     74   80   83     17   62   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     74   80   83     29   63   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     74   80   83     35   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     74   80   83     35   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     74   80   83     31   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     74   80   83     11   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     74   80   83     22   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     74   80   83     22   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     74   80   83     25   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     74   80   83     11   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     74   80   83     27   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     74   80   83     23   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     74   80   83     23   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     74   80   83     43   65   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     74   80   83      7   59   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     74   80   83     10   63   71   73   73   74   78   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     74   80   83      7   51   71   73   73   74   76   78   79   79   79   79   81   82   83   83   83   83   83   83 
LCS_GDT     G    85_B     G    85_A      3   80   83      3    3    3    5    8   28   60   70   75   77   77   77   78   79   83   83   83   83   83   83 
LCS_GDT     N    86_B     N    86_A      3   79   83      3    3   12   32   45   54   68   74   75   77   77   77   81   82   83   83   83   83   83   83 
LCS_GDT     L    87_B     L    87_A      3   79   83      3    3    3    3    3    8   59   70   75   77   77   77   81   82   83   83   83   83   83   83 
LCS_GDT     E    88_B     E    88_A      3   79   83      3    3    3    3   26   50   69   72   75   77   77   77   80   82   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  92.12  (  80.01   96.34  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     43     65     71     73     73     74     78     78     79     79     79     79     81     82     83     83     83     83     83     83 
GDT PERCENT_AT  51.81  78.31  85.54  87.95  87.95  89.16  93.98  93.98  95.18  95.18  95.18  95.18  97.59  98.80 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.32   0.53   0.68   0.72   0.72   0.86   1.67   1.59   1.70   1.70   1.70   1.70   2.04   2.19   2.34   2.34   2.34   2.34   2.34   2.34
GDT RMS_ALL_AT   2.71   2.66   2.75   2.68   2.68   2.60   2.45   2.41   2.43   2.43   2.43   2.43   2.36   2.34   2.34   2.34   2.34   2.34   2.34   2.34

# Checking swapping
#   possible swapping detected:  E    17_B      E    17_A
#   possible swapping detected:  E    18_B      E    18_A
#   possible swapping detected:  E    19_B      E    19_A
#   possible swapping detected:  E    20_B      E    20_A
#   possible swapping detected:  E    24_B      E    24_A
#   possible swapping detected:  E    28_B      E    28_A
#   possible swapping detected:  D    38_B      D    38_A
#   possible swapping detected:  E    48_B      E    48_A
#   possible swapping detected:  D    60_B      D    60_A
#   possible swapping detected:  Y    69_B      Y    69_A
#   possible swapping detected:  D    78_B      D    78_A
#   possible swapping detected:  Y    79_B      Y    79_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A     4.810     0    0.575   1.274     9.026   26.905   20.390
LGA    K     7_B      K     7_A     5.892     0    0.159   1.270     9.856   21.429   17.566
LGA    P     8_B      P     8_A     5.235     0    0.103   0.365     6.332   25.000   23.537
LGA    K     9_B      K     9_A     4.705     0    0.083   0.952     5.667   35.833   32.910
LGA    A    10_B      A    10_A     4.192     0    0.124   0.164     4.515   38.810   38.476
LGA    K    11_B      K    11_A     1.918     0    0.107   0.747     7.913   75.476   51.376
LGA    R    12_B      R    12_A     0.655     0    0.130   0.801     6.872   90.476   58.874
LGA    T    13_B      T    13_A     0.775     0    0.070   0.933     2.686   90.476   83.197
LGA    W    14_B      W    14_A     1.123     0    0.044   0.141     1.819   81.429   78.367
LGA    S    15_B      S    15_A     1.375     0    0.057   0.711     3.103   81.429   76.190
LGA    K    16_B      K    16_A     1.305     0    0.050   1.188     3.385   81.429   76.032
LGA    E    17_B      E    17_A     1.242     0    0.038   0.875     4.078   81.429   72.804
LGA    E    18_B      E    18_A     1.271     0    0.061   0.180     1.512   79.286   80.476
LGA    E    19_B      E    19_A     1.148     0    0.056   0.245     2.062   81.429   77.672
LGA    E    20_B      E    20_A     1.077     0    0.131   0.431     2.027   81.429   80.582
LGA    A    21_B      A    21_A     0.991     0    0.025   0.037     1.116   90.476   88.667
LGA    L    22_B      L    22_A     0.846     0    0.026   0.039     0.910   90.476   90.476
LGA    V    23_B      V    23_A     0.861     0    0.040   0.066     0.952   90.476   90.476
LGA    E    24_B      E    24_A     0.934     0    0.049   0.331     1.854   90.476   85.503
LGA    G    25_B      G    25_A     0.464     0    0.014   0.014     0.597   97.619   97.619
LGA    L    26_B      L    26_A     0.218     0    0.041   0.087     0.601   97.619   98.810
LGA    K    27_B      K    27_A     0.830     0    0.121   0.809     3.032   90.476   82.063
LGA    E    28_B      E    28_A     1.486     0    0.029   0.582     3.038   79.286   72.275
LGA    V    29_B      V    29_A     1.333     0    0.025   0.072     1.426   81.429   81.429
LGA    G    30_B      G    30_A     1.249     0    0.020   0.020     1.249   83.690   83.690
LGA    P    31_B      P    31_A     1.294     0    0.015   0.042     1.694   81.429   77.755
LGA    S    32_B      S    32_A     1.034     0    0.068   0.097     1.175   88.214   85.952
LGA    W    33_B      W    33_A     0.696     0    0.026   0.079     0.893   90.476   93.878
LGA    S    34_B      S    34_A     1.108     0    0.036   0.741     3.073   88.214   79.286
LGA    K    35_B      K    35_A     0.875     0    0.022   0.862     4.833   90.476   68.995
LGA    I    36_B      I    36_A     0.401     0    0.035   0.061     0.589   97.619   98.810
LGA    L    37_B      L    37_A     0.561     0    0.030   0.081     1.359   95.238   90.595
LGA    D    38_B      D    38_A     0.351     0    0.030   0.816     3.571  100.000   83.155
LGA    L    39_B      L    39_A     0.560     0    0.015   0.253     1.455   92.857   91.726
LGA    Y    40_B      Y    40_A     0.829     0    0.027   0.138     1.821   90.476   83.810
LGA    G    41_B      G    41_A     0.635     0    0.024   0.024     0.658   90.476   90.476
LGA    P    42_B      P    42_A     0.787     0    0.053   0.298     1.909   90.476   86.667
LGA    G    43_B      G    43_A     0.596     0    0.060   0.060     0.909   90.476   90.476
LGA    G    44_B      G    44_A     0.784     0    0.038   0.038     1.347   85.952   85.952
LGA    K    45_B      K    45_A     1.851     0    0.058   0.618     4.061   70.952   60.423
LGA    I    46_B      I    46_A     2.139     0    0.020   0.613     2.480   66.786   65.774
LGA    T    47_B      T    47_A     1.808     0    0.060   0.100     2.491   77.143   72.993
LGA    E    48_B      E    48_A     1.262     0    0.012   0.191     1.658   77.143   83.545
LGA    N    49_B      N    49_A     2.211     0    0.106   0.803     4.132   64.881   59.464
LGA    L    50_B      L    50_A     1.735     0    0.080   0.140     1.741   72.857   77.143
LGA    K    51_B      K    51_A     1.687     0    0.061   0.811     2.255   72.857   72.910
LGA    N    52_B      N    52_A     2.022     0    0.033   1.085     4.579   68.810   67.024
LGA    R    53_B      R    53_A     1.399     0    0.048   0.154     1.733   79.286   76.753
LGA    T    54_B      T    54_A     1.374     0    0.055   0.063     1.723   81.429   77.755
LGA    Q    55_B      Q    55_A     1.215     0    0.022   0.499     2.545   81.429   79.735
LGA    V    56_B      V    56_A     1.264     0    0.059   0.061     1.427   81.429   81.429
LGA    Q    57_B      Q    57_A     1.323     0    0.017   0.110     1.936   81.429   78.571
LGA    L    58_B      L    58_A     0.887     0    0.035   0.303     1.012   88.214   89.345
LGA    K    59_B      K    59_A     1.032     0    0.042   0.728     4.753   83.690   69.947
LGA    D    60_B      D    60_A     1.341     0    0.063   0.830     2.772   81.429   77.321
LGA    K    61_B      K    61_A     1.117     0    0.039   0.605     1.567   83.690   81.481
LGA    A    62_B      A    62_A     0.629     0    0.020   0.024     0.783   90.476   92.381
LGA    R    63_B      R    63_A     0.975     0    0.021   1.008     4.746   85.952   74.935
LGA    N    64_B      N    64_A     1.275     0    0.022   0.310     2.494   81.429   77.202
LGA    W    65_B      W    65_A     0.925     0    0.042   0.108     1.145   88.214   89.218
LGA    K    66_B      K    66_A     0.492     0    0.023   0.346     2.445   95.238   89.841
LGA    L    67_B      L    67_A     0.785     0    0.026   0.055     1.376   90.476   85.952
LGA    Q    68_B      Q    68_A     0.988     0    0.027   0.781     4.078   90.476   71.852
LGA    Y    69_B      Y    69_A     0.703     0    0.059   0.104     1.421   92.857   87.500
LGA    L    70_B      L    70_A     0.047     0    0.012   0.220     0.872  100.000   97.619
LGA    K    71_B      K    71_A     0.117     0    0.027   0.923     3.938  100.000   86.085
LGA    S    72_B      S    72_A     0.947     0    0.016   0.096     1.251   88.214   85.952
LGA    G    73_B      G    73_A     0.835     0    0.044   0.044     1.194   88.214   88.214
LGA    K    74_B      K    74_A     1.063     0    0.054   0.975     5.593   88.214   69.312
LGA    P    75_B      P    75_A     0.718     0    0.020   0.328     1.842   90.476   86.667
LGA    L    76_B      L    76_A     0.628     0    0.029   0.737     2.460   95.238   88.631
LGA    P    77_B      P    77_A     0.411     0    0.009   0.335     1.161   95.238   91.905
LGA    D    78_B      D    78_A     0.519     0    0.041   0.720     2.559   92.857   86.369
LGA    Y    79_B      Y    79_A     0.351     0    0.200   0.215     0.889   97.619   99.206
LGA    L    80_B      L    80_A     0.323     0    0.133   0.135     0.634   95.238   97.619
LGA    I    81_B      I    81_A     1.123     0    0.049   0.829     2.927   77.143   74.107
LGA    K    82_B      K    82_A     2.552     0    0.199   0.775     5.407   62.857   49.577
LGA    V    83_B      V    83_A     2.010     0    0.143   0.752     2.193   66.786   69.456
LGA    T    84_B      T    84_A     3.255     0    0.304   1.082     5.577   38.690   42.653
LGA    G    85_B      G    85_A     8.505     0    0.604   0.604     8.505    7.619    7.619
LGA    N    86_B      N    86_A     7.508     0    0.643   1.200     8.231    7.857    7.917
LGA    L    87_B      L    87_A     7.566     0    0.039   0.255     9.703    8.571    5.476
LGA    E    88_B      E    88_A     7.886     0    0.069   0.980    13.166   10.952    5.026

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     673    673  100.00                83
SUMMARY(RMSD_GDC):     2.338          2.299                  2.714           78.036   73.818

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     78    1.59    90.060    92.422     4.604

LGA_LOCAL      RMSD:   1.594  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.408  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   2.338  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.068933 * X  +   0.452965 * Y  +  -0.888860 * Z  +  11.626821
  Y_new =   0.211931 * X  +  -0.877291 * Y  +  -0.430634 * Z  +   3.438781
  Z_new =  -0.974850 * X  +  -0.158692 * Y  +  -0.156472 * Z  +  18.457436 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.256328  1.346049 -2.349149   [DEG:   71.9823   77.1229 -134.5963 ]
ZXZ: -1.119643  1.727914 -1.732167   [DEG:  -64.1508   99.0022  -99.2459 ]
 
# END of job
