
#######################################################
#                                                     #
#                        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   99 (  788),  selected   90 , name one
# Molecule2: number of CA atoms   90 (  715),  selected   90 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.80     1.80
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.80     1.80
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49       2_A - 50_A        0.96     1.98
  LCS_AVERAGE:     44.73

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   90
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     M     1_A     M     1_A      9   90   90      3    9   21   66   75   81   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     49   90   90     16   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     49   90   90      5   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     49   90   90     32   65   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     49   90   90      3    9   73   77   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     49   90   90      5   12   27   59   79   82   84   85   87   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     49   90   90      3   20   65   77   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     49   90   90      9   56   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     49   90   90     28   66   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     49   90   90      5    9   72   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     49   90   90      9   66   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     49   90   90     43   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     49   90   90     43   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     49   90   90     45   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     49   90   90     45   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     49   90   90     45   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     49   90   90     27   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     49   90   90     10   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     49   90   90     36   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     49   90   90     10   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     49   90   90     10   63   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     49   90   90     43   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     49   90   90     36   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     49   90   90     34   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     49   90   90     34   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     49   90   90     35   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     49   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     49   90   90     10   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     49   90   90     11   65   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     45   90   90      5   18   55   74   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     45   90   90      5   14   46   74   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A     10   90   90      5    8   17   33   59   79   82   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A     10   90   90      3    4   10   17   32   54   77   84   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A      7   90   90      5   10   17   28   44   74   81   84   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      4   90   90      3    4    6   19   29   42   63   81   85   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   90   90      2    3    6   33   72   80   82   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   90   90      4    4    4   69   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   90   90      4    6   43   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   90   90     11   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   90   90     27   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   90   90     43   66   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   90   90     45   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   90   90     46   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   90   90      6   67   74   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   90   90      3   26   43   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   90   90      3    3   61   78   80   83   84   85   88   89   90   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  81.58  (  44.73  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     46     67     74     78     80     83     84     85     88     89     90     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  51.11  74.44  82.22  86.67  88.89  92.22  93.33  94.44  97.78  98.89 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.52   0.62   0.78   0.86   1.04   1.10   1.19   1.61   1.66   1.80   1.80   1.80   1.80   1.80   1.80   1.80   1.80   1.80   1.80
GDT RMS_ALL_AT   1.87   1.91   1.89   1.87   1.93   1.87   1.89   1.88   1.80   1.80   1.80   1.80   1.80   1.80   1.80   1.80   1.80   1.80   1.80   1.80

# Checking swapping
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  F    20_A      F    20_A
#   possible swapping detected:  Y    25_A      Y    25_A
#   possible swapping detected:  Y    27_A      Y    27_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    37_A      E    37_A
#   possible swapping detected:  Y    42_A      Y    42_A
#   possible swapping detected:  Y    49_A      Y    49_A
#   possible swapping detected:  Y    51_A      Y    51_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  Y    76_A      Y    76_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     4.118     0    0.294   1.368     6.141   44.405   40.774
LGA    L     2_A      L     2_A     1.270     0    0.219   1.176     2.902   79.524   74.464
LGA    F     3_A      F     3_A     1.320     0    0.587   0.548     3.232   73.571   70.173
LGA    E     4_A      E     4_A     1.524     0    0.558   0.596     3.362   75.476   66.190
LGA    G     5_A      G     5_A     2.361     0    0.038   0.038     2.692   65.119   65.119
LGA    D     6_A      D     6_A     3.441     0    0.044   1.116     8.171   48.333   33.512
LGA    K     7_A      K     7_A     2.449     0    0.117   1.375     4.994   66.905   59.524
LGA    F     8_A      F     8_A     1.530     0    0.045   0.221     2.071   72.976   77.706
LGA    V     9_A      V     9_A     1.114     0    0.561   1.037     3.342   75.833   72.517
LGA    G    10_A      G    10_A     1.770     0    0.010   0.010     1.998   77.143   77.143
LGA    S    11_A      S    11_A     1.136     0    0.017   0.055     1.320   85.952   84.444
LGA    F    12_A      F    12_A     0.510     0    0.018   0.093     0.743   95.238   93.074
LGA    E    13_A      E    13_A     0.911     0    0.012   0.208     2.222   88.214   79.788
LGA    N    14_A      N    14_A     0.725     0    0.026   0.158     0.889   90.476   90.476
LGA    A    15_A      A    15_A     0.422     0    0.129   0.141     0.560  100.000   98.095
LGA    A    16_A      A    16_A     0.124     0    0.054   0.062     0.384  100.000  100.000
LGA    A    17_A      A    17_A     0.515     0    0.016   0.022     0.720   95.238   94.286
LGA    G    18_A      G    18_A     0.341     0    0.032   0.032     0.372  100.000  100.000
LGA    T    19_A      T    19_A     0.512     0    0.033   0.105     1.098   92.857   90.544
LGA    F    20_A      F    20_A     0.510     0    0.037   0.106     0.564   95.238   97.403
LGA    V    21_A      V    21_A     0.354     0    0.032   0.063     0.728  100.000   98.639
LGA    L    22_A      L    22_A     0.417     0    0.135   0.169     0.663   97.619   95.238
LGA    D    23_A      D    23_A     0.386     0    0.021   0.082     0.586   97.619   96.429
LGA    M    24_A      M    24_A     0.220     0    0.010   1.076     5.580  100.000   78.690
LGA    Y    25_A      Y    25_A     0.369     0    0.033   0.095     0.898  100.000   96.825
LGA    A    26_A      A    26_A     0.245     0    0.029   0.030     0.369  100.000  100.000
LGA    Y    27_A      Y    27_A     0.196     0    0.044   0.369     1.003  100.000   94.484
LGA    E    28_A      E    28_A     0.765     0    0.033   0.645     4.409   92.857   67.513
LGA    R    29_A      R    29_A     0.902     0    0.014   1.633     6.847   90.476   57.273
LGA    L    30_A      L    30_A     0.622     0    0.028   0.068     1.389   92.857   88.274
LGA    A    31_A      A    31_A     0.166     0    0.041   0.044     0.357  100.000  100.000
LGA    N    32_A      N    32_A     0.881     0    0.195   0.492     1.768   83.810   83.810
LGA    S    33_A      S    33_A     1.084     0    0.228   0.753     3.229   79.286   74.762
LGA    I    34_A      I    34_A     0.681     0    0.115   0.251     0.842   90.476   90.476
LGA    S    35_A      S    35_A     0.490     0    0.082   0.559     1.926   95.238   92.302
LGA    T    36_A      T    36_A     0.726     0    0.025   0.106     0.890   90.476   90.476
LGA    E    37_A      E    37_A     0.732     0    0.067   0.724     2.763   90.476   84.762
LGA    K    38_A      K    38_A     0.846     0    0.026   1.006     4.513   90.476   73.968
LGA    L    39_A      L    39_A     0.693     0    0.012   1.346     2.735   90.476   79.940
LGA    R    40_A      R    40_A     0.374     0    0.007   0.440     1.653  100.000   91.558
LGA    Q    41_A      Q    41_A     0.399     0    0.028   1.165     4.086  100.000   85.926
LGA    Y    42_A      Y    42_A     0.427     0    0.033   0.098     0.892  100.000   93.651
LGA    A    43_A      A    43_A     0.390     0    0.018   0.018     0.430  100.000  100.000
LGA    S    44_A      S    44_A     0.100     0    0.017   0.069     0.198  100.000  100.000
LGA    T    45_A      T    45_A     0.116     0    0.051   0.087     0.243  100.000  100.000
LGA    Y    46_A      Y    46_A     0.026     0    0.015   0.071     0.866  100.000   96.032
LGA    N    47_A      N    47_A     0.126     0    0.079   0.100     0.548  100.000   98.810
LGA    K    48_A      K    48_A     0.206     0    0.134   1.153     6.000   97.619   74.286
LGA    Y    49_A      Y    49_A     0.781     0    0.183   0.229     1.885   83.810   85.238
LGA    K    50_A      K    50_A     1.168     0    0.028   0.073     2.823   73.452   76.085
LGA    Y    51_A      Y    51_A     3.333     0    0.066   0.077     4.850   48.810   40.635
LGA    Y    52_A      Y    52_A     3.423     0    0.059   0.135     4.890   43.571   42.659
LGA    S    53_A      S    53_A     5.497     0    0.695   0.604     7.224   22.262   20.635
LGA    G    54_A      G    54_A     6.144     0    0.184   0.184     6.144   18.214   18.214
LGA    S    55_A      S    55_A     6.495     0    0.046   0.582     9.202   14.405   12.063
LGA    A    56_A      A    56_A     7.664     0    0.668   0.604     8.331   10.952    9.714
LGA    S    57_A      S    57_A     5.477     0    0.638   0.713     8.414   31.667   23.571
LGA    E    58_A      E    58_A     2.648     0    0.630   1.088    10.499   62.857   33.810
LGA    A    59_A      A    59_A     2.003     0    0.072   0.074     2.164   70.952   69.714
LGA    D    60_A      D    60_A     0.794     0    0.260   0.908     2.395   90.476   81.786
LGA    Y    61_A      Y    61_A     1.105     0    0.041   0.069     1.200   85.952   88.214
LGA    R    62_A      R    62_A     1.091     0    0.036   1.171     6.785   85.952   58.312
LGA    L    63_A      L    63_A     0.482     0    0.013   1.006     3.045   97.619   87.976
LGA    A    64_A      A    64_A     0.232     0    0.016   0.019     0.366  100.000  100.000
LGA    C    65_A      C    65_A     0.338     0    0.019   0.050     0.479  100.000  100.000
LGA    F    66_A      F    66_A     0.425     0    0.032   0.071     0.888  100.000   94.805
LGA    A    67_A      A    67_A     0.218     0    0.022   0.024     0.298  100.000  100.000
LGA    H    68_A      H    68_A     0.137     0    0.023   0.412     1.204  100.000   95.333
LGA    L    69_A      L    69_A     0.275     0    0.016   0.061     0.418  100.000  100.000
LGA    A    70_A      A    70_A     0.339     0    0.023   0.022     0.442  100.000  100.000
LGA    K    71_A      K    71_A     0.244     0    0.025   0.388     1.835  100.000   94.868
LGA    A    72_A      A    72_A     0.185     0    0.031   0.034     0.317  100.000  100.000
LGA    M    73_A      M    73_A     0.408     0    0.035   0.083     0.794  100.000   96.429
LGA    M    74_A      M    74_A     0.411     0    0.060   0.220     1.196  100.000   95.298
LGA    D    75_A      D    75_A     0.215     0    0.047   0.079     0.683   97.619   96.429
LGA    Y    76_A      Y    76_A     0.559     0    0.046   0.196     0.893   92.857   92.857
LGA    A    77_A      A    77_A     0.857     0    0.045   0.048     0.973   90.476   90.476
LGA    S    78_A      S    78_A     0.726     0    0.021   0.664     2.544   90.476   84.921
LGA    N    79_A      N    79_A     0.518     0    0.039   1.171     4.400   95.238   80.774
LGA    H    80_A      H    80_A     0.470     0    0.028   1.154     2.223  100.000   88.286
LGA    N    81_A      N    81_A     0.271     0    0.034   1.112     2.681  100.000   91.250
LGA    D    82_A      D    82_A     0.194     0    0.064   0.139     0.602   97.619   96.429
LGA    T    83_A      T    83_A     0.479     0    0.040   0.081     1.035  100.000   94.626
LGA    L    84_A      L    84_A     0.305     0    0.038   0.073     0.561   97.619   98.810
LGA    Y    85_A      Y    85_A     0.306     0    0.025   0.114     0.530  100.000   98.413
LGA    T    86_A      T    86_A     0.276     0    0.030   1.001     2.377  100.000   89.932
LGA    P    87_A      P    87_A     0.385     0    0.040   0.129     0.547  100.000   98.639
LGA    P    88_A      P    88_A     0.816     0    0.182   0.313     1.003   92.857   90.544
LGA    T    89_A      T    89_A     2.025     0    0.028   1.181     5.396   75.119   61.973
LGA    V    90_A      V    90_A     2.646     0    0.061   1.269     5.197   53.810   48.844

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       90     360    360  100.00     715    715  100.00                90
SUMMARY(RMSD_GDC):     1.799          1.795                  2.205           85.854   80.866

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   99   90    4.0     85    1.19    88.889    93.684     6.606

LGA_LOCAL      RMSD:   1.187  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.881  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.799  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.702008 * X  +   0.701367 * Y  +  -0.123568 * Z  + -19.359756
  Y_new =  -0.699937 * X  +   0.711505 * Y  +   0.062032 * Z  +  10.493566
  Z_new =   0.131426 * X  +   0.042943 * Y  +   0.990395 * Z  +  -9.650108 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.783921 -0.131808  0.043332   [DEG:  -44.9154   -7.5520    2.4827 ]
ZXZ: -2.036048  0.138708  1.254987   [DEG: -116.6570    7.9474   71.9055 ]
 
# END of job
