
#######################################################
#                                                     #
#                        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   92 (  680),  selected   92 , name one
# Molecule2: number of CA atoms   92 (  680),  selected   92 , 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:    87       5_A - 91_A        5.00     6.45
  LONGEST_CONTINUOUS_SEGMENT:    87       6_A - 92_A        4.88     6.51
  LCS_AVERAGE:     93.63

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    68      11_A - 78_A        1.98     7.77
  LONGEST_CONTINUOUS_SEGMENT:    68      12_A - 79_A        1.99     7.79
  LCS_AVERAGE:     61.03

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      12_A - 32_A        0.98     7.46
  LCS_AVERAGE:     14.41

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   92
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     1_A     G     1_A      3    5   12      3    3    3    5    5    7    7    9   12   14   16   17   19   20   20   24   26   29   29   42 
LCS_GDT     H     2_A     H     2_A      3    5   85      3    3    3    4    4    5    7    9   12   14   16   17   22   22   38   40   49   56   62   67 
LCS_GDT     M     3_A     M     3_A      3    5   86      3    3    6    6    6    7    7    9   12   13   15   17   19   20   25   26   35   56   62   67 
LCS_GDT     S     4_A     S     4_A      3    5   86      3    3    6    6    6    7    7    9   12   14   21   25   36   41   50   55   66   80   82   85 
LCS_GDT     G     5_A     G     5_A      3    5   87      3    3    6    6    6    7   10   10   13   17   24   35   40   42   51   60   67   80   82   85 
LCS_GDT     D     6_A     D     6_A      3    5   87      3    3    6    6   12   21   32   41   53   59   66   73   76   79   79   81   82   84   84   85 
LCS_GDT     N     7_A     N     7_A      4   26   87      3   12   17   29   45   57   63   70   74   76   76   78   78   80   80   81   82   84   84   85 
LCS_GDT     G     8_A     G     8_A      6   40   87      3    4   15   32   45   54   64   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     G     9_A     G     9_A      7   40   87      3    9   15   21   33   52   61   68   73   75   77   78   78   80   80   81   82   84   84   84 
LCS_GDT     G    10_A     G    10_A      8   40   87      3    9   15   23   44   56   64   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     E    11_A     E    11_A     12   68   87      4   14   34   50   61   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     R    12_A     R    12_A     21   68   87      6   22   43   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     R    13_A     R    13_A     21   68   87     11   30   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     K    14_A     K    14_A     21   68   87     13   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     G    15_A     G    15_A     21   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     S    16_A     S    16_A     21   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     V    17_A     V    17_A     21   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     K    18_A     K    18_A     21   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     W    19_A     W    19_A     21   68   87     13   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     F    20_A     F    20_A     21   68   87     10   33   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     D    21_A     D    21_A     21   68   87     14   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     T    22_A     T    22_A     21   68   87      6   11   43   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     Q    23_A     Q    23_A     21   68   87      6   19   40   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     K    24_A     K    24_A     21   68   87      6   14   37   50   60   64   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     G    25_A     G    25_A     21   68   87      6   14   26   48   60   64   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     F    26_A     F    26_A     21   68   87      6   17   39   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     G    27_A     G    27_A     21   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     F    28_A     F    28_A     21   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     I    29_A     I    29_A     21   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     T    30_A     T    30_A     21   68   87     16   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     P    31_A     P    31_A     21   68   87     13   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     D    32_A     D    32_A     21   68   87     13   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     D    33_A     D    33_A     15   68   87      4   14   26   51   60   64   68   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     G    34_A     G    34_A      9   68   87      3    6    9   13   17   40   57   66   72   75   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     G    35_A     G    35_A     12   68   87     12   25   42   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     D    36_A     D    36_A     12   68   87     12   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     D    37_A     D    37_A     12   68   87     13   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     L    38_A     L    38_A     12   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     F    39_A     F    39_A     12   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     V    40_A     V    40_A     12   68   87     16   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     H    41_A     H    41_A     12   68   87      6   25   39   54   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     Q    42_A     Q    42_A     12   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     S    43_A     S    43_A     12   68   87      6   28   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     S    44_A     S    44_A     12   68   87      6   12   43   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     I    45_A     I    45_A     12   68   87     12   28   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     R    46_A     R    46_A     12   68   87      9   21   41   54   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     S    47_A     S    47_A      8   68   87      5   17   28   44   58   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     E    48_A     E    48_A      6   68   87      3    9   17   26   35   47   59   70   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     G    49_A     G    49_A      6   68   87      6   13   22   38   52   64   68   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     F    50_A     F    50_A     18   68   87      7   17   35   51   61   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     R    51_A     R    51_A     18   68   87      9   23   43   55   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     S    52_A     S    52_A     18   68   87      9   28   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     L    53_A     L    53_A     18   68   87     13   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     A    54_A     A    54_A     18   68   87     13   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     A    55_A     A    55_A     18   68   87      9   25   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     E    56_A     E    56_A     18   68   87      7   25   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     E    57_A     E    57_A     18   68   87     13   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     A    58_A     A    58_A     18   68   87     13   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     V    59_A     V    59_A     18   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     E    60_A     E    60_A     18   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     F    61_A     F    61_A     18   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     E    62_A     E    62_A     18   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     V    63_A     V    63_A     18   68   87     11   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     E    64_A     E    64_A     18   68   87     11   33   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     I    65_A     I    65_A     18   68   87     11   27   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     D    66_A     D    66_A     18   68   87     11   20   43   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     N    67_A     N    67_A     18   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     N    68_A     N    68_A     17   68   87      5    7   43   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     N    69_A     N    69_A      7   68   87      5    5   12   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     R    70_A     R    70_A     10   68   87      3   22   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     P    71_A     P    71_A     10   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     K    72_A     K    72_A     11   68   87     11   32   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     A    73_A     A    73_A     11   68   87     11   27   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     I    74_A     I    74_A     11   68   87      5   23   41   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     D    75_A     D    75_A     11   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     V    76_A     V    76_A     11   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     S    77_A     S    77_A     11   68   87     17   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     G    78_A     G    78_A     11   68   87      9   34   46   56   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     P    79_A     P    79_A     11   68   87      3    3   42   54   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     D    80_A     D    80_A     11   49   87      5   14   42   54   62   65   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     G    81_A     G    81_A     11   49   87      5   17   42   54   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     A    82_A     A    82_A     11   49   87      5   17   42   55   62   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     P    83_A     P    83_A     10   49   87      4    8   17   47   61   66   69   71   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     V    84_A     V    84_A      5   36   87      4    6    9   11   19   27   54   68   74   76   77   78   78   80   80   81   82   84   84   85 
LCS_GDT     Q    85_A     Q    85_A      5   15   87      4    4    7   11   14   19   24   32   39   56   72   77   78   80   80   81   82   84   84   85 
LCS_GDT     G    86_A     G    86_A      5   15   87      3    4    8   11   18   22   29   37   50   68   72   77   78   80   80   81   82   84   84   85 
LCS_GDT     N    87_A     N    87_A      3    6   87      0    4    4    6    7    8   10   22   28   32   39   48   54   72   79   80   82   84   84   85 
LCS_GDT     S    88_A     S    88_A      3    6   87      1    3    5    5    5    8    9   11   16   18   25   32   37   51   56   61   69   78   82   85 
LCS_GDT     G    89_A     G    89_A      4    6   87      3    4    5    6    6    8   10   22   28   31   33   37   41   45   54   61   74   78   82   85 
LCS_GDT     G    90_A     G    90_A      4    6   87      3    4    5    6    6    9   18   24   28   31   33   40   41   47   54   65   71   78   82   85 
LCS_GDT     G    91_A     G    91_A      4    6   87      3    4    5    6    7   13   21   26   33   36   40   47   55   65   70   74   79   84   84   85 
LCS_GDT     S    92_A     S    92_A      4    6   87      0    4    5    6    7    9   20   27   34   39   48   57   66   69   76   80   82   84   84   85 
LCS_AVERAGE  LCS_A:  56.36  (  14.41   61.03   93.63 )

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     17     34     46     56     62     66     69     71     74     76     77     78     78     80     80     81     82     84     84     85 
GDT PERCENT_AT  18.48  36.96  50.00  60.87  67.39  71.74  75.00  77.17  80.43  82.61  83.70  84.78  84.78  86.96  86.96  88.04  89.13  91.30  91.30  92.39
GDT RMS_LOCAL    0.34   0.65   0.90   1.16   1.34   1.55   1.67   1.82   2.07   2.29   2.37   2.47   2.47   2.80   2.80   3.07   3.39   3.97   3.97   5.03
GDT RMS_ALL_AT   8.31   8.20   8.04   8.14   7.96   7.79   7.86   7.78   7.68   7.50   7.67   7.56   7.56   7.39   7.39   7.24   7.07   6.81   6.81   6.35

# Checking swapping
#   possible swapping detected:  D     6_A      D     6_A
#   possible swapping detected:  F    20_A      F    20_A
#   possible swapping detected:  F    28_A      F    28_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    50_A      F    50_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  D    75_A      D    75_A
#   possible swapping detected:  D    80_A      D    80_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    30.012     0    0.239   0.239    31.374    0.000    0.000
LGA    H     2_A      H     2_A    23.540     0    0.273   1.200    26.175    0.000    0.000
LGA    M     3_A      M     3_A    23.555     0    0.612   0.827    24.747    0.000    0.000
LGA    S     4_A      S     4_A    19.729     0    0.385   0.418    21.646    0.000    0.000
LGA    G     5_A      G     5_A    18.514     0    0.551   0.551    18.600    0.000    0.000
LGA    D     6_A      D     6_A    12.827     0    0.209   1.102    14.297    0.000    0.119
LGA    N     7_A      N     7_A     7.021     0    0.577   1.390     9.278   12.500   12.560
LGA    G     8_A      G     8_A     6.218     0    0.388   0.388     7.831   15.714   15.714
LGA    G     9_A      G     9_A     6.412     0    0.552   0.552     6.412   21.548   21.548
LGA    G    10_A      G    10_A     5.004     0    0.084   0.084     5.703   29.048   29.048
LGA    E    11_A      E    11_A     2.928     0    0.062   0.803     4.812   57.500   52.857
LGA    R    12_A      R    12_A     1.662     0    0.049   1.236     4.756   72.976   68.485
LGA    R    13_A      R    13_A     0.979     0    0.032   1.132     4.057   88.214   74.069
LGA    K    14_A      K    14_A     0.543     0    0.034   0.853     3.657   90.476   81.376
LGA    G    15_A      G    15_A     0.209     0    0.036   0.036     0.283  100.000  100.000
LGA    S    16_A      S    16_A     0.184     0    0.056   0.579     2.271  100.000   94.127
LGA    V    17_A      V    17_A     0.249     0    0.062   0.135     0.622   97.619   98.639
LGA    K    18_A      K    18_A     0.301     0    0.034   1.080     2.919  100.000   88.148
LGA    W    19_A      W    19_A     0.927     0    0.072   0.603     2.919   90.476   78.129
LGA    F    20_A      F    20_A     1.195     0    0.114   0.228     1.569   79.286   80.649
LGA    D    21_A      D    21_A     0.609     0    0.038   0.271     3.010   92.857   82.143
LGA    T    22_A      T    22_A     1.763     0    0.153   1.231     4.124   73.333   63.605
LGA    Q    23_A      Q    23_A     2.554     0    0.037   1.424     5.388   54.286   46.825
LGA    K    24_A      K    24_A     3.748     0    0.121   0.650     6.101   43.452   38.466
LGA    G    25_A      G    25_A     3.482     0    0.075   0.075     3.482   50.000   50.000
LGA    F    26_A      F    26_A     2.234     0    0.036   0.086     3.595   73.095   59.740
LGA    G    27_A      G    27_A     0.294     0    0.095   0.095     0.990   97.619   97.619
LGA    F    28_A      F    28_A     0.259     0    0.017   0.070     0.669  100.000   96.537
LGA    I    29_A      I    29_A     0.331     0    0.023   0.046     1.003   97.619   92.917
LGA    T    30_A      T    30_A     0.564     0    0.062   0.073     0.861   92.857   91.837
LGA    P    31_A      P    31_A     1.177     0    0.137   0.390     1.574   79.286   80.272
LGA    D    32_A      D    32_A     0.991     0    0.081   0.895     3.073   79.405   75.417
LGA    D    33_A      D    33_A     4.003     0    0.140   0.996     6.581   33.452   29.226
LGA    G    34_A      G    34_A     6.262     0    0.653   0.653     6.262   26.548   26.548
LGA    G    35_A      G    35_A     1.902     0    0.260   0.260     3.567   63.452   63.452
LGA    D    36_A      D    36_A     1.250     0    0.085   0.725     3.089   83.690   72.440
LGA    D    37_A      D    37_A     0.806     0    0.050   0.598     2.678   90.476   82.917
LGA    L    38_A      L    38_A     0.445     0    0.045   0.545     1.194   92.857   89.405
LGA    F    39_A      F    39_A     0.692     0    0.063   0.474     1.921   90.476   88.182
LGA    V    40_A      V    40_A     1.054     0    0.015   0.119     1.612   79.405   82.857
LGA    H    41_A      H    41_A     2.414     0    0.128   0.323     6.276   72.976   45.524
LGA    Q    42_A      Q    42_A     0.936     0    0.070   0.999     2.598   92.976   84.021
LGA    S    43_A      S    43_A     0.936     0    0.087   0.653     3.002   81.786   76.429
LGA    S    44_A      S    44_A     1.546     0    0.084   0.617     2.645   77.143   73.095
LGA    I    45_A      I    45_A     0.788     0    0.136   0.602     2.265   79.643   82.857
LGA    R    46_A      R    46_A     2.050     0    0.540   0.818     9.600   58.690   44.805
LGA    S    47_A      S    47_A     3.482     0    0.150   0.697     4.437   45.357   46.905
LGA    E    48_A      E    48_A     6.659     0    0.205   0.947    13.425   20.595    9.630
LGA    G    49_A      G    49_A     4.911     0    0.133   0.133     5.517   40.000   40.000
LGA    F    50_A      F    50_A     3.290     0    0.127   0.256     6.441   46.667   31.688
LGA    R    51_A      R    51_A     1.929     0    0.041   1.065     3.093   70.833   70.087
LGA    S    52_A      S    52_A     1.368     0    0.076   0.160     2.398   79.286   75.794
LGA    L    53_A      L    53_A     0.772     0    0.046   0.125     1.030   85.952   89.405
LGA    A    54_A      A    54_A     0.729     0    0.062   0.072     0.895   92.857   92.381
LGA    A    55_A      A    55_A     1.426     0    0.611   0.586     3.547   69.762   70.381
LGA    E    56_A      E    56_A     1.650     0    0.093   0.906     5.344   75.000   57.407
LGA    E    57_A      E    57_A     0.844     0    0.073   0.881     4.589   88.214   73.175
LGA    A    58_A      A    58_A     1.004     0    0.058   0.100     1.305   85.952   85.048
LGA    V    59_A      V    59_A     0.677     0    0.021   0.126     0.869   90.476   90.476
LGA    E    60_A      E    60_A     0.755     0    0.034   0.269     1.280   88.214   88.466
LGA    F    61_A      F    61_A     0.925     0    0.042   0.119     0.925   90.476   90.476
LGA    E    62_A      E    62_A     1.023     0    0.038   0.821     2.931   83.690   74.180
LGA    V    63_A      V    63_A     1.232     0    0.116   0.216     1.232   81.429   81.429
LGA    E    64_A      E    64_A     1.495     0    0.082   0.176     1.720   77.143   75.714
LGA    I    65_A      I    65_A     1.569     0    0.044   1.131     3.140   72.857   65.179
LGA    D    66_A      D    66_A     1.962     0    0.082   0.736     4.164   77.143   64.702
LGA    N    67_A      N    67_A     1.821     0    0.100   0.412     2.426   70.833   70.833
LGA    N    68_A      N    68_A     1.601     0    0.112   1.421     5.336   75.238   61.667
LGA    N    69_A      N    69_A     2.019     0    0.099   1.107     3.124   70.952   67.024
LGA    R    70_A      R    70_A     1.884     0    0.207   1.422     5.517   70.952   59.048
LGA    P    71_A      P    71_A     0.803     0    0.143   0.245     1.059   88.214   90.544
LGA    K    72_A      K    72_A     1.154     0    0.038   1.102     2.526   83.690   78.783
LGA    A    73_A      A    73_A     1.519     0    0.086   0.124     2.719   71.071   71.429
LGA    I    74_A      I    74_A     2.142     0    0.099   0.905     3.586   72.976   63.333
LGA    D    75_A      D    75_A     1.251     0    0.130   0.780     3.303   79.286   71.310
LGA    V    76_A      V    76_A     1.176     0    0.020   0.047     1.472   81.429   81.429
LGA    S    77_A      S    77_A     1.057     0    0.069   0.229     1.066   81.429   86.032
LGA    G    78_A      G    78_A     1.151     0    0.080   0.080     1.722   79.286   79.286
LGA    P    79_A      P    79_A     2.604     0    0.673   0.650     5.334   51.548   59.660
LGA    D    80_A      D    80_A     2.923     0    0.077   0.696     3.849   53.690   52.798
LGA    G    81_A      G    81_A     2.611     0    0.071   0.071     2.827   59.048   59.048
LGA    A    82_A      A    82_A     2.228     0    0.178   0.254     2.228   68.810   68.000
LGA    P    83_A      P    83_A     3.149     0    0.052   0.270     5.007   46.905   41.224
LGA    V    84_A      V    84_A     5.037     0    0.016   1.228     6.172   25.952   27.551
LGA    Q    85_A      Q    85_A     9.105     0    0.529   1.201    12.581    2.143    1.693
LGA    G    86_A      G    86_A     9.734     0    0.630   0.630    12.332    0.833    0.833
LGA    N    87_A      N    87_A    14.721     0    0.543   1.100    16.544    0.000    0.000
LGA    S    88_A      S    88_A    19.854     0    0.124   0.138    22.532    0.000    0.000
LGA    G    89_A      G    89_A    20.486     0    0.311   0.311    20.486    0.000    0.000
LGA    G    90_A      G    90_A    19.636     0    0.479   0.479    21.052    0.000    0.000
LGA    G    91_A      G    91_A    18.236     0    0.667   0.667    18.283    0.000    0.000
LGA    S    92_A      S    92_A    15.517     0    0.276   0.702    16.547    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       92     368    368  100.00     680    680  100.00                92
SUMMARY(RMSD_GDC):     6.233          6.166                  5.965           60.967   57.355

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     71    1.82    65.761    67.852     3.694

LGA_LOCAL      RMSD:   1.822  Number of atoms:   71  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.782  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   6.233  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.957378 * X  +  -0.075044 * Y  +  -0.278919 * Z  +  74.979294
  Y_new =  -0.138258 * X  +   0.966907 * Y  +   0.214418 * Z  +  -4.057002
  Z_new =   0.253598 * X  +   0.243842 * Y  +  -0.936071 * Z  +   7.793756 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.998171 -0.256398  2.886760   [DEG: -171.7825  -14.6905  165.3992 ]
ZXZ: -2.226188  2.782087  0.805008   [DEG: -127.5512  159.4019   46.1236 ]
 
# END of job
