
#######################################################
#                                                     #
#                        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 (  654),  selected   81 , name one
# Molecule2: number of CA atoms   81 (  640),  selected   81 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       3_B - 83_B        2.00     2.00
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80       3_B - 82_B        1.99     2.00
  LONGEST_CONTINUOUS_SEGMENT:    80       4_B - 83_B        1.86     2.01
  LCS_AVERAGE:     98.77

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49       5_B - 53_B        0.98     2.26
  LCS_AVERAGE:     56.38

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   81
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     G     3_B     G     3_B      4   80   81      3    4    6   10   31   48   65   73   74   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     M     4_B     M     4_B      4   80   81      3    3    6    9   13   48   65   73   74   76   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E     5_B     E     5_B     49   80   81     16   41   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K     6_B     K     6_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V     7_B     V     7_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T     8_B     T     8_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V     9_B     V     9_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    10_B     V    10_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    11_B     L    11_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     Y    12_B     Y    12_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    13_B     V    13_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     N    14_B     N    14_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     G    15_B     G    15_B     49   80   81      3    3    3   24   47   68   74   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    16_B     D    16_B     49   80   81      3   31   48   59   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    17_B     E    17_B     49   80   81     15   42   50   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    18_B     V    18_B     49   80   81     18   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    19_B     A    19_B     49   80   81     18   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    20_B     L    20_B     49   80   81     18   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    21_B     V    21_B     49   80   81     18   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     H    22_B     H    22_B     49   80   81     18   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    23_B     A    23_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    24_B     F    24_B     49   80   81     18   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     M    25_B     M    25_B     49   80   81     18   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    26_B     T    26_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    27_B     T    27_B     49   80   81     18   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    28_B     A    28_B     49   80   81     15   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     S    29_B     S    29_B     49   80   81     15   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    30_B     L    30_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    31_B     L    31_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    32_B     A    32_B     49   80   81     15   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    33_B     K    33_B     49   80   81     13   42   51   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    34_B     E    34_B     49   80   81     13   42   51   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     G    35_B     G    35_B     49   80   81      5   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    36_B     K    36_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    37_B     L    37_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    38_B     V    38_B     49   80   81     16   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    39_B     E    39_B     49   80   81     16   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    40_B     K    40_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    41_B     L    41_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    42_B     I    42_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    43_B     L    43_B     49   80   81     19   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    44_B     T    44_B     49   80   81     16   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     S    45_B     S    45_B     49   80   81     13   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     N    46_B     N    46_B     49   80   81     13   40   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    47_B     F    47_B     49   80   81     13   40   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    48_B     T    48_B     49   80   81     13   36   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    49_B     E    49_B     49   80   81     13   36   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    50_B     R    50_B     49   80   81     13   36   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    51_B     T    51_B     49   80   81     13   38   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    52_B     V    52_B     49   80   81     13   40   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    53_B     R    53_B     49   80   81     13   40   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    54_B     R    54_B     43   80   81     13   36   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    55_B     A    55_B     43   80   81     13   36   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    56_B     F    56_B     43   80   81     13   36   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    57_B     D    57_B     43   80   81     13   36   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    58_B     L    58_B     43   80   81     11   36   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    59_B     V    59_B     43   80   81     11   36   51   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    60_B     R    60_B     43   80   81     12   36   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    61_B     E    61_B     43   80   81     11   36   51   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    62_B     L    62_B     43   80   81     10   36   46   57   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    63_B     L    63_B     43   80   81     10   36   43   57   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     P    64_B     P    64_B     43   80   81     10   36   46   62   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    65_B     A    65_B     43   80   81      4   36   43   59   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    66_B     K    66_B     43   80   81      5   19   38   51   69   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    67_B     A    67_B     43   80   81      5   13   20   51   69   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    68_B     E    68_B     43   80   81      5   23   43   57   69   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    69_B     I    69_B     43   80   81     12   36   51   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    70_B     I    70_B     43   80   81     13   36   51   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    71_B     D    71_B     43   80   81      5   36   51   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    72_B     A    72_B     43   80   81     12   36   51   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    73_B     L    73_B     43   80   81     12   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    74_B     R    74_B     43   80   81     12   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    75_B     E    75_B     43   80   81     12   38   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    76_B     E    76_B     43   80   81     12   36   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    77_B     A    77_B     43   80   81     12   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    78_B     E    78_B     43   80   81     12   42   52   65   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    79_B     K    79_B     43   80   81     12   36   48   64   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     Y    80_B     Y    80_B     43   80   81     12   22   46   60   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    81_B     F    81_B     43   80   81     12   36   46   61   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    82_B     A    82_B     43   80   81      9   36   48   60   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    83_B     E    83_B     43   80   81      6   36   46   59   72   76   78   79   79   80   81   81   81   81   81   81   81   81   81   81 
LCS_AVERAGE  LCS_A:  85.05  (  56.38   98.77  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     19     42     52     65     72     76     78     79     79     80     81     81     81     81     81     81     81     81     81     81 
GDT PERCENT_AT  23.46  51.85  64.20  80.25  88.89  93.83  96.30  97.53  97.53  98.77 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.40   0.63   0.93   1.20   1.38   1.53   1.61   1.68   1.68   1.85   2.00   2.00   2.00   2.00   2.00   2.00   2.00   2.00   2.00   2.00
GDT RMS_ALL_AT   2.32   2.28   2.11   2.04   2.02   2.03   2.05   2.04   2.04   2.01   2.00   2.00   2.00   2.00   2.00   2.00   2.00   2.00   2.00   2.00

# Checking swapping
#   possible swapping detected:  Y    12_B      Y    12_B
#   possible swapping detected:  D    16_B      D    16_B
#   possible swapping detected:  E    17_B      E    17_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  D    57_B      D    57_B
#   possible swapping detected:  E    61_B      E    61_B
#   possible swapping detected:  E    68_B      E    68_B
#   possible swapping detected:  D    71_B      D    71_B
#   possible swapping detected:  E    76_B      E    76_B
#   possible swapping detected:  Y    80_B      Y    80_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_B      G     3_B     7.547     0    0.359   0.359     9.025   12.024   12.024
LGA    M     4_B      M     4_B     7.576     0    0.022   0.824    16.109   14.881    7.500
LGA    E     5_B      E     5_B     2.169     0    0.320   1.119     7.582   57.857   44.815
LGA    K     6_B      K     6_B     1.797     0    0.007   0.384     2.562   72.857   70.212
LGA    V     7_B      V     7_B     1.508     0    0.092   0.148     1.699   75.000   76.531
LGA    T     8_B      T     8_B     1.036     0    0.011   0.035     1.115   81.429   82.721
LGA    V     9_B      V     9_B     0.947     0    0.023   0.102     1.306   88.214   85.306
LGA    V    10_B      V    10_B     0.489     0    0.082   0.096     0.844   95.238   95.918
LGA    L    11_B      L    11_B     0.187     0    0.125   0.979     3.374  100.000   86.845
LGA    Y    12_B      Y    12_B     0.897     0    0.047   1.380     9.741   90.476   50.873
LGA    V    13_B      V    13_B     0.955     0    0.079   0.283     1.548   83.810   84.082
LGA    N    14_B      N    14_B     1.396     0    0.346   0.671     3.200   71.667   76.607
LGA    G    15_B      G    15_B     4.315     0    0.586   0.586     4.315   54.286   54.286
LGA    D    16_B      D    16_B     2.532     0    0.301   1.070     4.054   62.976   57.560
LGA    E    17_B      E    17_B     2.237     0    0.044   0.944     5.644   68.810   48.624
LGA    V    18_B      V    18_B     1.724     0    0.070   0.909     3.553   77.143   74.966
LGA    A    19_B      A    19_B     1.216     0    0.098   0.111     1.404   83.690   83.238
LGA    L    20_B      L    20_B     1.304     0    0.049   0.227     1.421   81.429   84.821
LGA    V    21_B      V    21_B     1.349     0    0.064   1.067     3.876   81.429   74.762
LGA    H    22_B      H    22_B     0.926     0    0.023   0.310     2.433   88.214   80.000
LGA    A    23_B      A    23_B     0.916     0    0.049   0.061     1.135   90.476   88.667
LGA    F    24_B      F    24_B     1.053     0    0.054   0.699     2.272   85.952   81.688
LGA    M    25_B      M    25_B     1.000     0    0.016   0.337     1.904   90.476   83.810
LGA    T    26_B      T    26_B     0.784     0    0.048   0.221     1.211   90.476   87.891
LGA    T    27_B      T    27_B     0.712     0    0.033   0.106     1.267   90.476   87.891
LGA    A    28_B      A    28_B     0.932     0    0.031   0.042     1.267   85.952   85.048
LGA    S    29_B      S    29_B     1.416     0    0.025   0.043     1.640   79.286   77.143
LGA    L    30_B      L    30_B     1.321     0    0.043   0.946     4.746   79.286   67.143
LGA    L    31_B      L    31_B     1.062     0    0.062   1.083     3.292   81.429   77.560
LGA    A    32_B      A    32_B     1.587     0    0.026   0.033     2.151   70.952   71.333
LGA    K    33_B      K    33_B     2.470     0    0.044   0.815     2.872   60.952   66.931
LGA    E    34_B      E    34_B     2.338     0    0.060   0.213     3.195   64.762   62.275
LGA    G    35_B      G    35_B     1.680     0    0.147   0.147     2.017   70.833   70.833
LGA    K    36_B      K    36_B     2.067     0    0.080   0.249     2.417   66.786   67.460
LGA    L    37_B      L    37_B     2.071     0    0.079   0.675     3.238   68.810   63.988
LGA    V    38_B      V    38_B     1.855     0    0.050   0.067     2.131   68.810   71.769
LGA    E    39_B      E    39_B     1.880     0    0.098   0.727     2.657   75.000   71.164
LGA    K    40_B      K    40_B     1.336     0    0.021   0.224     1.704   79.286   78.571
LGA    L    41_B      L    41_B     0.853     0    0.029   0.891     2.702   90.476   84.107
LGA    I    42_B      I    42_B     0.507     0    0.023   0.049     0.594   95.238   97.619
LGA    L    43_B      L    43_B     0.506     0    0.033   0.832     3.017   97.619   86.726
LGA    T    44_B      T    44_B     0.568     0    0.241   1.033     2.562   84.167   78.435
LGA    S    45_B      S    45_B     0.730     0    0.030   0.544     3.031   92.857   83.810
LGA    N    46_B      N    46_B     1.154     0    0.079   0.962     3.770   88.214   76.905
LGA    F    47_B      F    47_B     0.752     0    0.090   0.429     3.418   90.476   73.030
LGA    T    48_B      T    48_B     1.117     0    0.059   0.144     1.257   83.690   84.014
LGA    E    49_B      E    49_B     1.264     0    0.029   0.788     4.302   81.429   67.831
LGA    R    50_B      R    50_B     1.341     0    0.017   0.997     5.263   81.429   60.476
LGA    T    51_B      T    51_B     0.825     0    0.064   0.146     0.980   90.476   90.476
LGA    V    52_B      V    52_B     0.521     0    0.028   0.094     0.651   90.476   94.558
LGA    R    53_B      R    53_B     0.775     0    0.018   0.980     6.135   88.214   65.065
LGA    R    54_B      R    54_B     1.526     0    0.019   1.345     5.149   77.143   67.662
LGA    A    55_B      A    55_B     1.381     0    0.027   0.031     1.613   79.286   79.714
LGA    F    56_B      F    56_B     0.949     0    0.062   0.220     1.059   83.690   89.740
LGA    D    57_B      D    57_B     1.164     0    0.054   0.247     1.392   81.429   81.429
LGA    L    58_B      L    58_B     1.394     0    0.057   1.122     3.612   79.286   70.417
LGA    V    59_B      V    59_B     1.433     0    0.024   0.332     2.228   81.429   77.823
LGA    R    60_B      R    60_B     0.997     0    0.020   1.417     6.934   83.690   63.593
LGA    E    61_B      E    61_B     1.608     0    0.012   0.836     2.641   70.952   71.217
LGA    L    62_B      L    62_B     2.711     0    0.041   0.156     3.704   57.262   53.690
LGA    L    63_B      L    63_B     2.812     0    0.048   1.112     4.025   57.143   55.714
LGA    P    64_B      P    64_B     2.181     0    0.017   0.273     3.151   64.762   62.653
LGA    A    65_B      A    65_B     2.748     0    0.090   0.089     2.958   57.143   57.143
LGA    K    66_B      K    66_B     3.468     0    0.217   0.982     7.737   53.690   37.037
LGA    A    67_B      A    67_B     3.448     0    0.038   0.046     4.164   50.119   47.524
LGA    E    68_B      E    68_B     3.152     0    0.027   0.846     7.579   57.381   39.365
LGA    I    69_B      I    69_B     1.336     0    0.029   0.235     1.996   81.548   86.071
LGA    I    70_B      I    70_B     1.382     0    0.012   0.602     3.133   81.429   74.286
LGA    D    71_B      D    71_B     1.615     0    0.032   0.338     2.571   77.143   71.012
LGA    A    72_B      A    72_B     1.287     0    0.020   0.020     1.524   83.690   81.524
LGA    L    73_B      L    73_B     0.617     0    0.015   0.068     1.151   90.476   89.345
LGA    R    74_B      R    74_B     0.700     0    0.072   0.733     3.444   90.476   75.325
LGA    E    75_B      E    75_B     0.908     0    0.085   0.701     3.314   85.952   72.804
LGA    E    76_B      E    76_B     1.284     0    0.062   0.414     2.604   81.429   74.074
LGA    A    77_B      A    77_B     1.076     0    0.016   0.022     1.258   81.429   83.238
LGA    E    78_B      E    78_B     0.946     0    0.068   0.753     2.808   83.810   75.291
LGA    K    79_B      K    79_B     1.863     0    0.073   0.643     2.549   69.048   72.169
LGA    Y    80_B      Y    80_B     2.241     0    0.087   0.152     2.707   64.881   64.802
LGA    F    81_B      F    81_B     2.074     0    0.063   0.149     2.451   66.786   70.736
LGA    A    82_B      A    82_B     2.174     0    0.017   0.026     2.468   64.762   64.762
LGA    E    83_B      E    83_B     2.498     0    0.414   1.009     6.354   44.524   49.683

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       81     324    324  100.00     640    640  100.00                81
SUMMARY(RMSD_GDC):     2.002          1.975                  2.583           76.271   71.552

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   81    4.0     79    1.68    82.407    90.210     4.449

LGA_LOCAL      RMSD:   1.676  Number of atoms:   79  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.037  Number of assigned atoms:   81 
Std_ASGN_ATOMS RMSD:   2.002  Standard rmsd on all 81 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.386427 * X  +  -0.913659 * Y  +  -0.126104 * Z  +  29.507301
  Y_new =   0.037577 * X  +  -0.121016 * Y  +   0.991939 * Z  +   7.826411
  Z_new =  -0.921554 * X  +  -0.388050 * Y  +  -0.012431 * Z  +  -7.585014 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.096937  1.172065 -1.602821   [DEG:    5.5541   67.1544  -91.8349 ]
ZXZ: -3.015142  1.583228 -1.969344   [DEG: -172.7549   90.7123 -112.8351 ]
 
# END of job
