
#######################################################
#                                                     #
#                        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        1.59     1.59
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       3_B - 83_B        1.59     1.59
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    77       5_B - 81_B        0.97     1.64
  LONGEST_CONTINUOUS_SEGMENT:    77       6_B - 82_B        1.00     1.65
  LCS_AVERAGE:     92.70

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   81   81      3    4    5    7    8   11   36   41   51   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     M     4_B     M     4_B      4   81   81      3    4    5    7    8   30   36   53   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E     5_B     E     5_B     77   81   81     14   58   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K     6_B     K     6_B     77   81   81     14   58   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V     7_B     V     7_B     77   81   81     31   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T     8_B     T     8_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V     9_B     V     9_B     77   81   81     24   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    10_B     V    10_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    11_B     L    11_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     Y    12_B     Y    12_B     77   81   81     24   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    13_B     V    13_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     N    14_B     N    14_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     G    15_B     G    15_B     77   81   81      3   12   18   37   46   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    16_B     D    16_B     77   81   81     12   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    17_B     E    17_B     77   81   81     26   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    18_B     V    18_B     77   81   81     31   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    19_B     A    19_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    20_B     L    20_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    21_B     V    21_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     H    22_B     H    22_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    23_B     A    23_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    24_B     F    24_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     M    25_B     M    25_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    26_B     T    26_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    27_B     T    27_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    28_B     A    28_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     S    29_B     S    29_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    30_B     L    30_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    31_B     L    31_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    32_B     A    32_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    33_B     K    33_B     77   81   81     31   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    34_B     E    34_B     77   81   81     31   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     G    35_B     G    35_B     77   81   81     11   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    36_B     K    36_B     77   81   81     28   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    37_B     L    37_B     77   81   81     14   21   68   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    38_B     V    38_B     77   81   81     14   58   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    39_B     E    39_B     77   81   81     14   58   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    40_B     K    40_B     77   81   81     14   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    41_B     L    41_B     77   81   81     20   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    42_B     I    42_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    43_B     L    43_B     77   81   81     20   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    44_B     T    44_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     S    45_B     S    45_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     N    46_B     N    46_B     77   81   81     18   58   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    47_B     F    47_B     77   81   81     22   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    48_B     T    48_B     77   81   81     24   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    49_B     E    49_B     77   81   81     24   58   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    50_B     R    50_B     77   81   81     30   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     T    51_B     T    51_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    52_B     V    52_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    53_B     R    53_B     77   81   81     32   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    54_B     R    54_B     77   81   81     30   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    55_B     A    55_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    56_B     F    56_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    57_B     D    57_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    58_B     L    58_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     V    59_B     V    59_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    60_B     R    60_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    61_B     E    61_B     77   81   81     30   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    62_B     L    62_B     77   81   81     15   58   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    63_B     L    63_B     77   81   81     12   57   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     P    64_B     P    64_B     77   81   81     10   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    65_B     A    65_B     77   81   81     12   32   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    66_B     K    66_B     77   81   81     12   56   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    67_B     A    67_B     77   81   81     12   42   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    68_B     E    68_B     77   81   81     11   42   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    69_B     I    69_B     77   81   81     30   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     I    70_B     I    70_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     D    71_B     D    71_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    72_B     A    72_B     77   81   81     33   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     L    73_B     L    73_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     R    74_B     R    74_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    75_B     E    75_B     77   81   81     35   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    76_B     E    76_B     77   81   81     22   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    77_B     A    77_B     77   81   81     22   59   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    78_B     E    78_B     77   81   81     13   58   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     K    79_B     K    79_B     77   81   81      4   41   73   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     Y    80_B     Y    80_B     77   81   81      4    7   48   75   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     F    81_B     F    81_B     77   81   81      4   27   52   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     A    82_B     A    82_B     77   81   81      4   35   52   76   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_GDT     E    83_B     E    83_B     68   81   81      3    5   48   69   78   79   79   79   80   81   81   81   81   81   81   81   81   81   81   81 
LCS_AVERAGE  LCS_A:  97.57  (  92.70  100.00  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     35     59     73     76     78     79     79     79     80     81     81     81     81     81     81     81     81     81     81     81 
GDT PERCENT_AT  43.21  72.84  90.12  93.83  96.30  97.53  97.53  97.53  98.77 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.58   0.77   0.87   0.96   1.05   1.05   1.05   1.32   1.59   1.59   1.59   1.59   1.59   1.59   1.59   1.59   1.59   1.59   1.59
GDT RMS_ALL_AT   1.69   1.68   1.66   1.64   1.64   1.64   1.64   1.64   1.60   1.59   1.59   1.59   1.59   1.59   1.59   1.59   1.59   1.59   1.59   1.59

# 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:  D    71_B      D    71_B
#   possible swapping detected:  E    76_B      E    76_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_B      G     3_B     8.613     0    0.460   0.460     9.292   10.119   10.119
LGA    M     4_B      M     4_B     7.458     0    0.025   1.014    16.748   14.524    7.440
LGA    E     5_B      E     5_B     1.351     0    0.373   1.137     7.043   71.905   56.085
LGA    K     6_B      K     6_B     1.250     0    0.019   0.397     2.768   81.429   74.074
LGA    V     7_B      V     7_B     0.744     0    0.103   0.198     1.344   88.214   89.252
LGA    T     8_B      T     8_B     0.531     0    0.012   0.036     0.904   92.857   93.197
LGA    V     9_B      V     9_B     1.066     0    0.038   0.137     1.779   85.952   82.789
LGA    V    10_B      V    10_B     0.903     0    0.062   0.070     1.032   88.214   87.891
LGA    L    11_B      L    11_B     0.488     0    0.098   0.963     3.720   92.857   81.548
LGA    Y    12_B      Y    12_B     1.235     0    0.015   1.348     9.173   88.214   50.397
LGA    V    13_B      V    13_B     0.645     0    0.082   0.291     1.166   88.214   87.891
LGA    N    14_B      N    14_B     0.458     0    0.507   0.432     4.534   84.167   66.786
LGA    G    15_B      G    15_B     3.784     0    0.564   0.564     3.784   59.405   59.405
LGA    D    16_B      D    16_B     1.141     0    0.190   0.827     3.707   83.810   70.714
LGA    E    17_B      E    17_B     0.824     0    0.016   0.961     4.040   90.476   70.317
LGA    V    18_B      V    18_B     0.599     0    0.077   0.889     2.527   92.857   84.558
LGA    A    19_B      A    19_B     0.438     0    0.096   0.111     0.486  100.000  100.000
LGA    L    20_B      L    20_B     0.473     0    0.040   0.181     0.989   97.619   95.238
LGA    V    21_B      V    21_B     0.302     0    0.081   1.028     2.538  100.000   88.639
LGA    H    22_B      H    22_B     0.213     0    0.057   0.482     1.136  100.000   95.286
LGA    A    23_B      A    23_B     0.462     0    0.019   0.027     0.612  100.000   98.095
LGA    F    24_B      F    24_B     0.410     0    0.033   0.097     0.779  100.000   93.939
LGA    M    25_B      M    25_B     0.248     0    0.014   0.530     1.440  100.000   95.298
LGA    T    26_B      T    26_B     0.170     0    0.046   0.222     0.652  100.000   98.639
LGA    T    27_B      T    27_B     0.276     0    0.043   0.144     0.724  100.000   98.639
LGA    A    28_B      A    28_B     0.263     0    0.010   0.020     0.460  100.000  100.000
LGA    S    29_B      S    29_B     0.317     0    0.018   0.049     0.520  100.000   98.413
LGA    L    30_B      L    30_B     0.349     0    0.046   1.186     3.017   97.619   86.964
LGA    L    31_B      L    31_B     0.234     0    0.112   1.083     2.844   97.619   88.869
LGA    A    32_B      A    32_B     0.198     0    0.013   0.015     0.510   97.619   98.095
LGA    K    33_B      K    33_B     0.848     0    0.050   0.893     3.919   88.214   78.519
LGA    E    34_B      E    34_B     0.873     0    0.025   0.278     1.965   88.214   86.508
LGA    G    35_B      G    35_B     1.008     0    0.017   0.017     1.040   85.952   85.952
LGA    K    36_B      K    36_B     1.125     0    0.052   0.272     1.644   79.286   82.487
LGA    L    37_B      L    37_B     1.845     0    0.023   0.286     3.500   75.000   64.345
LGA    V    38_B      V    38_B     1.329     0    0.087   1.047     2.560   79.286   74.354
LGA    E    39_B      E    39_B     1.199     0    0.119   0.564     2.934   85.952   73.492
LGA    K    40_B      K    40_B     0.939     0    0.008   0.276     1.202   90.476   89.471
LGA    L    41_B      L    41_B     1.005     0    0.164   0.994     3.001   81.548   76.607
LGA    I    42_B      I    42_B     0.799     0    0.024   0.089     0.847   90.476   91.667
LGA    L    43_B      L    43_B     0.970     0    0.024   0.831     2.968   90.476   81.845
LGA    T    44_B      T    44_B     0.661     0    0.407   0.980     3.531   82.143   74.014
LGA    S    45_B      S    45_B     0.270     0    0.050   0.777     3.376   97.619   88.492
LGA    N    46_B      N    46_B     1.204     0    0.053   1.023     3.722   83.690   76.786
LGA    F    47_B      F    47_B     1.007     0    0.053   0.388     2.956   85.952   73.377
LGA    T    48_B      T    48_B     0.778     0    0.061   0.188     0.937   90.476   91.837
LGA    E    49_B      E    49_B     0.905     0    0.019   0.807     4.972   90.476   70.794
LGA    R    50_B      R    50_B     0.578     0    0.021   1.045     3.986   95.238   76.017
LGA    T    51_B      T    51_B     0.224     0    0.068   0.138     0.641  100.000   98.639
LGA    V    52_B      V    52_B     0.220     0    0.039   0.120     0.458  100.000  100.000
LGA    R    53_B      R    53_B     0.390     0    0.036   1.335     6.749   97.619   71.688
LGA    R    54_B      R    54_B     0.657     0    0.015   1.420     5.409   90.476   70.390
LGA    A    55_B      A    55_B     0.327     0    0.014   0.024     0.542   97.619   98.095
LGA    F    56_B      F    56_B     0.420     0    0.058   0.121     0.605   97.619   97.403
LGA    D    57_B      D    57_B     0.417     0    0.070   0.275     1.010  100.000   95.298
LGA    L    58_B      L    58_B     0.113     0    0.052   1.142     2.805  100.000   90.060
LGA    V    59_B      V    59_B     0.142     0    0.020   0.302     0.901  100.000   97.279
LGA    R    60_B      R    60_B     0.288     0    0.015   1.340     6.047  100.000   76.364
LGA    E    61_B      E    61_B     0.549     0    0.024   1.007     2.546   92.857   81.058
LGA    L    62_B      L    62_B     1.058     0    0.026   0.121     1.862   83.690   80.417
LGA    L    63_B      L    63_B     1.117     0    0.120   1.296     2.808   83.690   78.571
LGA    P    64_B      P    64_B     0.922     0    0.054   0.272     1.258   85.952   86.599
LGA    A    65_B      A    65_B     1.433     0    0.088   0.084     1.593   81.429   79.714
LGA    K    66_B      K    66_B     1.153     0    0.018   0.583     1.428   83.690   83.439
LGA    A    67_B      A    67_B     1.391     0    0.057   0.059     1.642   81.429   79.714
LGA    E    68_B      E    68_B     1.603     0    0.020   1.272     7.465   77.143   51.905
LGA    I    69_B      I    69_B     0.783     0    0.032   0.165     1.098   88.214   90.536
LGA    I    70_B      I    70_B     0.433     0    0.015   0.672     2.083   97.619   93.214
LGA    D    71_B      D    71_B     0.383     0    0.038   0.409     1.326  100.000   94.107
LGA    A    72_B      A    72_B     0.702     0    0.020   0.021     0.836   90.476   90.476
LGA    L    73_B      L    73_B     0.488     0    0.043   0.070     0.659   95.238   96.429
LGA    R    74_B      R    74_B     0.563     0    0.072   0.382     2.718   90.476   82.641
LGA    E    75_B      E    75_B     0.536     0    0.095   0.540     2.391   90.476   86.614
LGA    E    76_B      E    76_B     0.730     0    0.096   0.232     1.184   90.476   89.471
LGA    A    77_B      A    77_B     0.812     0    0.017   0.017     0.898   90.476   90.476
LGA    E    78_B      E    78_B     0.988     0    0.035   0.757     3.563   85.952   68.995
LGA    K    79_B      K    79_B     1.471     0    0.029   0.634     2.062   75.119   75.767
LGA    Y    80_B      Y    80_B     2.308     0    0.186   1.431     6.138   64.881   61.190
LGA    F    81_B      F    81_B     2.109     0    0.048   0.173     2.471   64.762   73.074
LGA    A    82_B      A    82_B     2.083     0    0.023   0.027     2.658   64.881   66.476
LGA    E    83_B      E    83_B     2.868     0    0.398   1.142     6.186   44.762   39.312

# 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):     1.587          1.547                  2.235           87.052   80.994

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   81    4.0     79    1.05    91.049    95.961     6.877

LGA_LOCAL      RMSD:   1.049  Number of atoms:   79  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.636  Number of assigned atoms:   81 
Std_ASGN_ATOMS RMSD:   1.587  Standard rmsd on all 81 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.628168 * X  +  -0.713539 * Y  +   0.310271 * Z  +  29.468441
  Y_new =  -0.298300 * X  +   0.147445 * Y  +   0.943015 * Z  +   9.329210
  Z_new =  -0.718626 * X  +  -0.684925 * Y  +  -0.120228 * Z  +  -9.489508 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.443345  0.801824 -1.744561   [DEG:  -25.4018   45.9411  -99.9560 ]
ZXZ:  2.823729  1.691316 -2.332188   [DEG:  161.7877   96.9053 -133.6245 ]
 
# END of job
