
#######################################################
#                                                     #
#                        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        2.74     2.74
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79       9_A - 87_A        1.96     2.94
  LONGEST_CONTINUOUS_SEGMENT:    79      10_A - 88_A        1.94     3.05
  LCS_AVERAGE:     94.15

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      11_A - 84_A        0.95     3.15
  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   10   83      0    4    5    5    6   13   16   19   22   47   73   76   79   82   83   83   83   83   83   83 
LCS_GDT     K     7_B     K     7_A      5   78   83      4    4    6    9   24   34   52   67   73   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     P     8_B     P     8_A      5   78   83      4    4    7   10   31   58   66   73   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     K     9_B     K     9_A      5   79   83      4    4    8   17   42   65   73   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     A    10_B     A    10_A      5   79   83      4    4    8   17   47   65   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    11_B     K    11_A     74   79   83      6   21   52   68   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     R    12_B     R    12_A     74   79   83     20   57   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     T    13_B     T    13_A     74   79   83     20   57   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     W    14_B     W    14_A     74   79   83     23   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     S    15_B     S    15_A     74   79   83     34   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    16_B     K    16_A     74   79   83     33   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     E    17_B     E    17_A     74   79   83     23   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     E    18_B     E    18_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     E    19_B     E    19_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     E    20_B     E    20_A     74   79   83     38   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     A    21_B     A    21_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    22_B     L    22_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     V    23_B     V    23_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     E    24_B     E    24_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     G    25_B     G    25_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    26_B     L    26_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    27_B     K    27_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     E    28_B     E    28_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     V    29_B     V    29_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     G    30_B     G    30_A     74   79   83     37   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     P    31_B     P    31_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     S    32_B     S    32_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     W    33_B     W    33_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     S    34_B     S    34_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    35_B     K    35_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     I    36_B     I    36_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    37_B     L    37_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     D    38_B     D    38_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    39_B     L    39_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     Y    40_B     Y    40_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     G    41_B     G    41_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     P    42_B     P    42_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     G    43_B     G    43_A     74   79   83     19   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     G    44_B     G    44_A     74   79   83     13   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    45_B     K    45_A     74   79   83      7   34   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     I    46_B     I    46_A     74   79   83     13   39   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     T    47_B     T    47_A     74   79   83     21   57   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     E    48_B     E    48_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     N    49_B     N    49_A     74   79   83     16   57   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    50_B     L    50_A     74   79   83     28   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    51_B     K    51_A     74   79   83     28   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     N    52_B     N    52_A     74   79   83     28   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     R    53_B     R    53_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     T    54_B     T    54_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     Q    55_B     Q    55_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     V    56_B     V    56_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     Q    57_B     Q    57_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    58_B     L    58_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    59_B     K    59_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     D    60_B     D    60_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    61_B     K    61_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     A    62_B     A    62_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     R    63_B     R    63_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     N    64_B     N    64_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     W    65_B     W    65_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    66_B     K    66_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    67_B     L    67_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     Q    68_B     Q    68_A     74   79   83     29   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     Y    69_B     Y    69_A     74   79   83     16   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    70_B     L    70_A     74   79   83     18   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    71_B     K    71_A     74   79   83     11   55   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     S    72_B     S    72_A     74   79   83     11   26   65   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     G    73_B     G    73_A     74   79   83     11   38   66   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    74_B     K    74_A     74   79   83     11   51   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     P    75_B     P    75_A     74   79   83     28   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    76_B     L    76_A     74   79   83     28   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     P    77_B     P    77_A     74   79   83     32   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     D    78_B     D    78_A     74   79   83     32   60   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     Y    79_B     Y    79_A     74   79   83     31   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    80_B     L    80_A     74   79   83     39   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     I    81_B     I    81_A     74   79   83     34   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     K    82_B     K    82_A     74   79   83     17   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     V    83_B     V    83_A     74   79   83     17   61   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     T    84_B     T    84_A     74   79   83     11   54   67   73   74   74   75   76   77   77   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     G    85_B     G    85_A      3   79   83      3    3    3    5   11   21   61   70   73   76   77   82   82   82   83   83   83   83   83   83 
LCS_GDT     N    86_B     N    86_A      3   79   83      3    3   11   27   47   56   64   71   73   76   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     L    87_B     L    87_A      3   79   83      3    3    5    9   15   27   61   70   73   76   78   82   82   82   83   83   83   83   83   83 
LCS_GDT     E    88_B     E    88_A      3   79   83      3    3    3    3    3    4   44   67   72   75   78   82   82   82   83   83   83   83   83   83 
LCS_AVERAGE  LCS_A:  91.39  (  80.01   94.15  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     39     61     67     73     74     74     75     76     77     77     78     82     82     82     83     83     83     83     83     83 
GDT PERCENT_AT  46.99  73.49  80.72  87.95  89.16  89.16  90.36  91.57  92.77  92.77  93.98  98.80  98.80  98.80 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.56   0.67   0.84   0.95   0.95   1.21   1.42   1.67   1.67   1.94   2.47   2.47   2.47   2.74   2.74   2.74   2.74   2.74   2.74
GDT RMS_ALL_AT   3.27   3.26   3.19   3.22   3.15   3.15   3.05   2.97   2.89   2.89   2.84   2.77   2.77   2.77   2.74   2.74   2.74   2.74   2.74   2.74

# 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    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
#   possible swapping detected:  E    88_B      E    88_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A    13.340     0    0.603   1.371    17.178    0.000    0.000
LGA    K     7_B      K     7_A    10.196     0    0.153   1.310    13.455    0.714    0.476
LGA    P     8_B      P     8_A     8.230     0    0.104   0.362     9.482    5.119    4.014
LGA    K     9_B      K     9_A     6.191     0    0.062   0.992     7.476   20.833   17.672
LGA    A    10_B      A    10_A     5.572     0    0.157   0.202     6.053   25.357   24.571
LGA    K    11_B      K    11_A     2.830     0    0.078   0.724     7.246   55.595   45.291
LGA    R    12_B      R    12_A     0.655     0    0.046   0.546     5.610   88.214   62.900
LGA    T    13_B      T    13_A     0.632     0    0.073   0.921     2.062   90.476   84.286
LGA    W    14_B      W    14_A     0.729     0    0.050   0.145     1.477   90.476   87.245
LGA    S    15_B      S    15_A     0.632     0    0.049   0.664     2.423   90.476   86.190
LGA    K    16_B      K    16_A     0.544     0    0.059   1.010     3.434   90.476   83.122
LGA    E    17_B      E    17_A     0.675     0    0.024   0.877     3.846   90.476   80.423
LGA    E    18_B      E    18_A     0.725     0    0.076   0.293     1.073   88.214   91.587
LGA    E    19_B      E    19_A     0.607     0    0.040   0.240     1.262   90.476   88.466
LGA    E    20_B      E    20_A     0.524     0    0.143   0.470     1.233   90.476   88.466
LGA    A    21_B      A    21_A     0.554     0    0.025   0.037     0.628   92.857   92.381
LGA    L    22_B      L    22_A     0.501     0    0.023   0.080     0.694   90.476   94.048
LGA    V    23_B      V    23_A     0.507     0    0.028   0.077     0.614   95.238   94.558
LGA    E    24_B      E    24_A     0.369     0    0.052   1.008     3.806  100.000   85.714
LGA    G    25_B      G    25_A     0.057     0    0.019   0.019     0.148  100.000  100.000
LGA    L    26_B      L    26_A     0.131     0    0.035   0.063     0.358  100.000  100.000
LGA    K    27_B      K    27_A     0.300     0    0.113   0.903     3.036  100.000   90.317
LGA    E    28_B      E    28_A     0.764     0    0.037   0.695     2.406   90.476   83.651
LGA    V    29_B      V    29_A     0.801     0    0.040   0.078     1.006   88.214   89.184
LGA    G    30_B      G    30_A     0.788     0    0.023   0.023     0.788   90.476   90.476
LGA    P    31_B      P    31_A     0.798     0    0.031   0.040     1.045   90.476   89.184
LGA    S    32_B      S    32_A     0.682     0    0.078   0.100     0.824   90.476   90.476
LGA    W    33_B      W    33_A     0.533     0    0.024   0.071     0.656   90.476   96.599
LGA    S    34_B      S    34_A     0.791     0    0.031   0.725     2.595   90.476   83.413
LGA    K    35_B      K    35_A     0.691     0    0.011   1.163     6.291   90.476   66.455
LGA    I    36_B      I    36_A     0.309     0    0.034   0.058     0.507   97.619   98.810
LGA    L    37_B      L    37_A     0.329     0    0.034   0.072     0.967  100.000   95.238
LGA    D    38_B      D    38_A     0.216     0    0.021   0.834     3.395  100.000   83.988
LGA    L    39_B      L    39_A     0.217     0    0.023   0.193     1.024  100.000   96.488
LGA    Y    40_B      Y    40_A     0.408     0    0.028   0.121     1.290  100.000   93.730
LGA    G    41_B      G    41_A     0.234     0    0.025   0.025     0.350  100.000  100.000
LGA    P    42_B      P    42_A     0.715     0    0.056   0.302     1.825   90.476   87.959
LGA    G    43_B      G    43_A     0.972     0    0.078   0.078     1.289   88.214   88.214
LGA    G    44_B      G    44_A     0.903     0    0.038   0.038     1.182   85.952   85.952
LGA    K    45_B      K    45_A     1.971     0    0.066   1.010     7.663   70.833   46.667
LGA    I    46_B      I    46_A     1.931     0    0.007   0.629     2.605   70.833   68.869
LGA    T    47_B      T    47_A     1.374     0    0.059   0.170     2.082   81.429   77.823
LGA    E    48_B      E    48_A     0.663     0    0.014   0.272     1.106   85.952   92.698
LGA    N    49_B      N    49_A     1.675     0    0.092   0.775     3.581   72.976   69.226
LGA    L    50_B      L    50_A     1.291     0    0.077   0.132     1.296   81.429   82.560
LGA    K    51_B      K    51_A     1.302     0    0.078   0.706     2.234   79.286   78.624
LGA    N    52_B      N    52_A     1.564     0    0.030   1.083     3.967   75.000   72.440
LGA    R    53_B      R    53_A     1.034     0    0.044   0.156     1.257   83.690   83.074
LGA    T    54_B      T    54_A     0.900     0    0.067   0.084     1.221   90.476   86.599
LGA    Q    55_B      Q    55_A     0.764     0    0.024   0.100     1.379   90.476   88.466
LGA    V    56_B      V    56_A     0.895     0    0.056   0.058     1.127   88.214   87.891
LGA    Q    57_B      Q    57_A     0.843     0    0.017   0.061     0.898   90.476   90.476
LGA    L    58_B      L    58_A     0.696     0    0.039   1.120     2.695   90.476   84.286
LGA    K    59_B      K    59_A     0.979     0    0.043   0.719     4.388   85.952   74.127
LGA    D    60_B      D    60_A     1.103     0    0.052   0.855     2.465   81.429   80.476
LGA    K    61_B      K    61_A     0.995     0    0.030   0.593     1.436   85.952   83.439
LGA    A    62_B      A    62_A     0.844     0    0.013   0.027     1.039   88.214   88.667
LGA    R    63_B      R    63_A     1.092     0    0.024   1.051     3.996   81.429   74.935
LGA    N    64_B      N    64_A     1.275     0    0.022   0.267     2.127   81.429   78.274
LGA    W    65_B      W    65_A     1.144     0    0.045   0.141     1.183   81.429   88.639
LGA    K    66_B      K    66_A     0.932     0    0.032   0.263     1.358   90.476   91.587
LGA    L    67_B      L    67_A     0.889     0    0.032   0.034     1.078   90.476   89.345
LGA    Q    68_B      Q    68_A     1.271     0    0.023   1.033     4.588   81.429   67.778
LGA    Y    69_B      Y    69_A     1.246     0    0.056   0.136     1.530   81.429   80.714
LGA    L    70_B      L    70_A     0.840     0    0.014   0.191     1.239   88.214   88.214
LGA    K    71_B      K    71_A     1.179     0    0.032   0.957     4.421   79.405   72.910
LGA    S    72_B      S    72_A     2.193     0    0.013   0.723     2.562   64.881   64.841
LGA    G    73_B      G    73_A     2.033     0    0.037   0.037     2.246   66.786   66.786
LGA    K    74_B      K    74_A     1.865     0    0.053   0.955     6.813   72.857   56.138
LGA    P    75_B      P    75_A     1.153     0    0.016   0.333     2.275   81.429   77.823
LGA    L    76_B      L    76_A     0.813     0    0.028   0.903     3.085   90.476   82.202
LGA    P    77_B      P    77_A     0.385     0    0.012   0.332     1.348   97.619   93.265
LGA    D    78_B      D    78_A     0.563     0    0.050   0.565     1.504   90.476   89.464
LGA    Y    79_B      Y    79_A     0.643     0    0.186   0.190     1.168   88.214   89.722
LGA    L    80_B      L    80_A     0.325     0    0.130   1.359     2.747  100.000   85.774
LGA    I    81_B      I    81_A     0.650     0    0.043   0.615     1.595   90.476   83.810
LGA    K    82_B      K    82_A     1.547     0    0.166   0.756     4.388   77.143   63.968
LGA    V    83_B      V    83_A     1.365     0    0.146   0.256     1.473   81.429   81.429
LGA    T    84_B      T    84_A     2.351     0    0.332   1.355     4.829   49.524   56.259
LGA    G    85_B      G    85_A     7.778     0    0.621   0.621     7.778   12.143   12.143
LGA    N    86_B      N    86_A     7.337     0    0.684   1.194     7.438   10.000   12.917
LGA    L    87_B      L    87_A     7.477     0    0.037   1.236     9.716   11.667    7.976
LGA    E    88_B      E    88_A     7.679     0    0.037   1.013    14.886   10.119    4.656

# 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):     2.739          2.701                  3.283           78.600   74.934

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     76    1.42    88.253    90.775     5.007

LGA_LOCAL      RMSD:   1.418  Number of atoms:   76  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.969  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   2.739  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.781186 * X  +   0.567309 * Y  +   0.260593 * Z  +  14.456592
  Y_new =  -0.478964 * X  +   0.276886 * Y  +   0.833023 * Z  +   2.039504
  Z_new =   0.400428 * X  +  -0.775561 * Y  +   0.488020 * Z  +  20.022278 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.550014 -0.411984 -1.009148   [DEG:  -31.5135  -23.6049  -57.8199 ]
ZXZ:  2.838409  1.060977  2.664984   [DEG:  162.6289   60.7895  152.6924 ]
 
# END of job
