
#######################################################
#                                                     #
#                        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       6_A - 92_A        4.80     7.69
  LCS_AVERAGE:     91.90

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    75      10_A - 84_A        1.96     9.26
  LCS_AVERAGE:     68.88

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      11_A - 33_A        0.92     8.83
  LONGEST_CONTINUOUS_SEGMENT:    23      56_A - 78_A        0.91     9.55
  LONGEST_CONTINUOUS_SEGMENT:    23      57_A - 79_A        0.96     9.59
  LONGEST_CONTINUOUS_SEGMENT:    23      58_A - 80_A        0.99     9.64
  LCS_AVERAGE:     18.16

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    6   11      3    3    4    6    6    6    6    6    7   12   14   16   19   20   31   35   37   41   43   45 
LCS_GDT     H     2_A     H     2_A      5    6   12      4    5    5    6    6    6    6    6    7   12   14   16   19   20   23   35   53   55   61   64 
LCS_GDT     M     3_A     M     3_A      5    6   15      4    5    5    6    6    6    6    7    8   12   14   16   19   25   42   45   53   55   61   64 
LCS_GDT     S     4_A     S     4_A      5    6   85      4    5    5    6    6    6    6    7   10   13   18   32   40   43   51   58   66   76   78   80 
LCS_GDT     G     5_A     G     5_A      5    6   86      4    5    5    6    6    9   11   11   13   14   15   32   40   51   55   63   68   76   78   82 
LCS_GDT     D     6_A     D     6_A      5    6   87      0    5    5    6    6   10   14   19   23   30   37   49   57   63   70   73   78   82   85   86 
LCS_GDT     N     7_A     N     7_A      3    7   87      3    3    6   10   12   20   26   40   47   59   68   77   78   80   80   80   82   83   85   86 
LCS_GDT     G     8_A     G     8_A      4   28   87      3    6    9   18   26   32   45   55   67   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     G     9_A     G     9_A      4   33   87      3    4    9   17   26   35   48   60   72   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     G    10_A     G    10_A      4   75   87      3    5    8   18   33   53   70   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     E    11_A     E    11_A     23   75   87      4   17   27   52   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     R    12_A     R    12_A     23   75   87      8   21   47   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     R    13_A     R    13_A     23   75   87     15   33   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     K    14_A     K    14_A     23   75   87     15   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     G    15_A     G    15_A     23   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     S    16_A     S    16_A     23   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     V    17_A     V    17_A     23   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     K    18_A     K    18_A     23   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     W    19_A     W    19_A     23   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     F    20_A     F    20_A     23   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     D    21_A     D    21_A     23   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     T    22_A     T    22_A     23   75   87      6   17   35   56   62   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     Q    23_A     Q    23_A     23   75   87      7   21   42   52   62   67   72   73   75   75   76   77   79   80   80   80   81   83   85   86 
LCS_GDT     K    24_A     K    24_A     23   75   87      6   11   29   49   62   67   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     G    25_A     G    25_A     23   75   87      6   17   30   49   60   67   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     F    26_A     F    26_A     23   75   87      7   21   42   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     G    27_A     G    27_A     23   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     F    28_A     F    28_A     23   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     I    29_A     I    29_A     23   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     T    30_A     T    30_A     23   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     P    31_A     P    31_A     23   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     D    32_A     D    32_A     23   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     D    33_A     D    33_A     23   75   87     10   25   43   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     G    34_A     G    34_A     15   75   87      4    5    8   16   36   59   66   72   75   75   76   77   79   80   80   80   81   82   85   86 
LCS_GDT     G    35_A     G    35_A     15   75   87     15   35   48   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     D    36_A     D    36_A     15   75   87     11   31   46   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     D    37_A     D    37_A     15   75   87     11   33   48   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     L    38_A     L    38_A     15   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     F    39_A     F    39_A     15   75   87     15   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     V    40_A     V    40_A     15   75   87     11   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     H    41_A     H    41_A     15   75   87      8   23   43   55   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     Q    42_A     Q    42_A     13   75   87      5   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     S    43_A     S    43_A     13   75   87      7   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     S    44_A     S    44_A     13   75   87      5   33   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     I    45_A     I    45_A     13   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     R    46_A     R    46_A     13   75   87      5   32   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     S    47_A     S    47_A     13   75   87     11   30   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     E    48_A     E    48_A     11   75   87      4    7   21   35   61   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     G    49_A     G    49_A     16   75   87      4   16   34   55   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     F    50_A     F    50_A     16   75   87      4   19   42   55   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     R    51_A     R    51_A     16   75   87      9   30   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     S    52_A     S    52_A     16   75   87     11   30   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     L    53_A     L    53_A     16   75   87     15   33   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     A    54_A     A    54_A     16   75   87      9   29   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     A    55_A     A    55_A     16   75   87      9   21   43   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     E    56_A     E    56_A     23   75   87      6   24   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     E    57_A     E    57_A     23   75   87     10   34   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     A    58_A     A    58_A     23   75   87      9   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     V    59_A     V    59_A     23   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     E    60_A     E    60_A     23   75   87     15   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     F    61_A     F    61_A     23   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     E    62_A     E    62_A     23   75   87     18   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     V    63_A     V    63_A     23   75   87      8   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     E    64_A     E    64_A     23   75   87      7   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     I    65_A     I    65_A     23   75   87      7   33   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     D    66_A     D    66_A     23   75   87      6   24   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     N    67_A     N    67_A     23   75   87      6   24   48   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     N    68_A     N    68_A     23   75   87      5   22   46   56   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     N    69_A     N    69_A     23   75   87      7   24   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     R    70_A     R    70_A     23   75   87      5   26   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     P    71_A     P    71_A     23   75   87     13   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     K    72_A     K    72_A     23   75   87     10   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     A    73_A     A    73_A     23   75   87     15   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     I    74_A     I    74_A     23   75   87     10   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     D    75_A     D    75_A     23   75   87     12   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     V    76_A     V    76_A     23   75   87     12   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     S    77_A     S    77_A     23   75   87     12   35   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     G    78_A     G    78_A     23   75   87     12   33   49   57   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     P    79_A     P    79_A     23   75   87      3    9   39   55   62   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     D    80_A     D    80_A     23   75   87      4   22   41   55   62   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     G    81_A     G    81_A     18   75   87      4   11   37   54   62   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     A    82_A     A    82_A     10   75   87      4   10   47   56   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     P    83_A     P    83_A      8   75   87      4    9   30   51   63   68   72   73   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     V    84_A     V    84_A      5   75   87      3    7   10   20   46   60   69   72   75   75   76   77   79   80   80   80   82   83   85   86 
LCS_GDT     Q    85_A     Q    85_A      5   50   87      3    5    8   11   17   27   30   35   56   70   74   77   79   80   80   80   82   83   85   86 
LCS_GDT     G    86_A     G    86_A      5   15   87      3    5    8   12   20   27   31   38   56   65   72   76   79   80   80   80   82   83   85   86 
LCS_GDT     N    87_A     N    87_A      3    6   87      3    3    4    5    7    9   12   26   30   32   40   47   54   65   67   80   82   83   85   86 
LCS_GDT     S    88_A     S    88_A      3    6   87      3    3    4    5    8   11   19   26   30   32   38   44   54   63   67   72   82   83   85   86 
LCS_GDT     G    89_A     G    89_A      3    6   87      3    3    4    5    7   10   19   26   30   32   38   44   54   63   66   70   72   80   81   86 
LCS_GDT     G    90_A     G    90_A      3    6   87      3    3    4    5    6    9   19   25   29   32   38   44   54   63   66   70   77   80   84   86 
LCS_GDT     G    91_A     G    91_A      3    6   87      3    3    4    5    9   18   23   28   30   35   40   53   60   74   77   80   82   83   85   86 
LCS_GDT     S    92_A     S    92_A      3    6   87      3    3    4    4    5    7    8   18   24   27   35   56   62   74   77   80   82   83   85   86 
LCS_AVERAGE  LCS_A:  59.64  (  18.16   68.88   91.90 )

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     18     35     49     57     63     68     72     73     75     75     76     77     79     80     80     80     82     83     85     86 
GDT PERCENT_AT  19.57  38.04  53.26  61.96  68.48  73.91  78.26  79.35  81.52  81.52  82.61  83.70  85.87  86.96  86.96  86.96  89.13  90.22  92.39  93.48
GDT RMS_LOCAL    0.33   0.61   0.97   1.16   1.38   1.53   1.73   1.82   1.96   1.96   2.18   2.42   2.74   2.97   2.97   2.97   4.08   4.11   4.40   4.60
GDT RMS_ALL_AT   9.97   9.95   9.55   9.56   9.31   9.33   9.36   9.29   9.26   9.26   9.10   8.90   8.74   8.56   8.56   8.56   7.98   7.99   7.81   7.83

# Checking swapping
#   possible swapping detected:  E    11_A      E    11_A
#   possible swapping detected:  F    26_A      F    26_A
#   possible swapping detected:  D    32_A      D    32_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  F    39_A      F    39_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  D    66_A      D    66_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    39.430     0    0.292   0.292    40.975    0.000    0.000
LGA    H     2_A      H     2_A    34.672     0    0.027   1.021    36.462    0.000    0.000
LGA    M     3_A      M     3_A    31.015     0    0.248   1.329    32.668    0.000    0.000
LGA    S     4_A      S     4_A    25.954     0    0.309   0.306    28.246    0.000    0.000
LGA    G     5_A      G     5_A    23.243     0    0.261   0.261    24.307    0.000    0.000
LGA    D     6_A      D     6_A    18.368     0    0.293   1.059    20.320    0.000    0.000
LGA    N     7_A      N     7_A    12.305     0    0.537   1.271    14.686    0.119    0.060
LGA    G     8_A      G     8_A    10.292     0    0.464   0.464    11.375    0.238    0.238
LGA    G     9_A      G     9_A     8.789     0    0.422   0.422     9.615    2.381    2.381
LGA    G    10_A      G    10_A     5.066     0    0.206   0.206     5.687   32.024   32.024
LGA    E    11_A      E    11_A     2.754     0    0.252   0.608     3.564   61.548   70.794
LGA    R    12_A      R    12_A     1.376     0    0.083   1.425     6.555   75.119   55.974
LGA    R    13_A      R    13_A     0.637     0    0.080   1.481     4.957   90.476   77.446
LGA    K    14_A      K    14_A     0.658     0    0.069   0.731     2.079   92.857   85.820
LGA    G    15_A      G    15_A     0.226     0    0.074   0.074     0.421  100.000  100.000
LGA    S    16_A      S    16_A     0.327     0    0.019   0.684     2.226  100.000   94.127
LGA    V    17_A      V    17_A     0.316     0    0.105   0.165     1.025   92.976   94.626
LGA    K    18_A      K    18_A     0.780     0    0.017   0.792     2.945   90.476   81.852
LGA    W    19_A      W    19_A     0.508     0    0.013   0.502     2.273   92.857   86.871
LGA    F    20_A      F    20_A     0.380     0    0.088   0.117     1.022   97.619   93.117
LGA    D    21_A      D    21_A     0.609     0    0.064   0.273     1.866   86.190   82.798
LGA    T    22_A      T    22_A     2.491     0    0.058   1.196     4.343   61.190   53.741
LGA    Q    23_A      Q    23_A     3.173     0    0.046   1.308     4.479   46.905   53.862
LGA    K    24_A      K    24_A     3.668     0    0.077   0.771     4.093   43.452   47.937
LGA    G    25_A      G    25_A     3.535     0    0.078   0.078     3.535   48.333   48.333
LGA    F    26_A      F    26_A     1.952     0    0.010   0.151     2.580   75.119   67.879
LGA    G    27_A      G    27_A     0.379     0    0.074   0.074     0.822   97.619   97.619
LGA    F    28_A      F    28_A     0.506     0    0.036   0.103     1.311   97.619   89.784
LGA    I    29_A      I    29_A     0.385     0    0.016   0.084     0.576   97.619   97.619
LGA    T    30_A      T    30_A     0.547     0    0.037   0.139     0.796   95.238   93.197
LGA    P    31_A      P    31_A     0.830     0    0.048   0.065     1.172   88.214   86.599
LGA    D    32_A      D    32_A     0.777     0    0.059   0.164     1.364   85.952   89.405
LGA    D    33_A      D    33_A     2.544     0    0.136   0.972     6.342   51.190   41.726
LGA    G    34_A      G    34_A     5.292     0    0.595   0.595     5.292   39.048   39.048
LGA    G    35_A      G    35_A     1.668     0    0.387   0.387     3.060   67.143   67.143
LGA    D    36_A      D    36_A     2.276     0    0.046   0.153     3.263   66.786   61.071
LGA    D    37_A      D    37_A     1.703     0    0.073   0.437     3.260   77.143   71.131
LGA    L    38_A      L    38_A     1.123     0    0.061   1.320     2.890   85.952   77.500
LGA    F    39_A      F    39_A     1.007     0    0.048   0.393     2.318   81.429   77.619
LGA    V    40_A      V    40_A     1.072     0    0.009   0.096     1.677   79.405   82.857
LGA    H    41_A      H    41_A     2.455     0    0.158   0.314     5.967   70.833   47.095
LGA    Q    42_A      Q    42_A     1.495     0    0.063   0.875     4.321   81.548   72.857
LGA    S    43_A      S    43_A     0.903     0    0.097   0.084     1.368   88.214   85.952
LGA    S    44_A      S    44_A     1.164     0    0.065   0.065     1.633   81.429   80.000
LGA    I    45_A      I    45_A     0.695     0    0.110   0.684     1.381   88.214   87.083
LGA    R    46_A      R    46_A     1.139     0    0.432   0.840     7.308   79.524   48.874
LGA    S    47_A      S    47_A     1.194     0    0.050   0.638     1.890   79.405   78.651
LGA    E    48_A      E    48_A     3.424     0    0.043   0.940     8.515   51.786   31.958
LGA    G    49_A      G    49_A     3.201     0    0.133   0.133     3.201   55.476   55.476
LGA    F    50_A      F    50_A     2.987     0    0.080   0.774     5.714   53.571   43.810
LGA    R    51_A      R    51_A     1.453     0    0.130   0.853     1.807   77.143   79.177
LGA    S    52_A      S    52_A     1.297     0    0.012   0.037     1.482   85.952   84.444
LGA    L    53_A      L    53_A     0.902     0    0.065   0.215     1.335   83.690   87.083
LGA    A    54_A      A    54_A     1.241     0    0.033   0.071     1.277   83.690   83.238
LGA    A    55_A      A    55_A     1.884     0    0.623   0.606     3.997   65.595   67.048
LGA    E    56_A      E    56_A     1.924     0    0.024   0.173     3.079   72.857   63.386
LGA    E    57_A      E    57_A     1.059     0    0.072   1.169     4.308   81.429   74.815
LGA    A    58_A      A    58_A     1.089     0    0.102   0.130     1.314   85.952   85.048
LGA    V    59_A      V    59_A     0.398     0    0.023   0.137     0.662   95.238   97.279
LGA    E    60_A      E    60_A     0.789     0    0.042   0.737     1.854   88.214   85.503
LGA    F    61_A      F    61_A     1.209     0    0.083   0.136     1.449   81.429   84.719
LGA    E    62_A      E    62_A     1.099     0    0.037   0.799     2.693   81.429   74.974
LGA    V    63_A      V    63_A     1.259     0    0.029   1.222     3.209   81.429   75.714
LGA    E    64_A      E    64_A     1.150     0    0.020   0.352     1.922   81.429   81.481
LGA    I    65_A      I    65_A     1.309     0    0.027   0.602     1.462   81.429   81.429
LGA    D    66_A      D    66_A     1.662     0    0.033   0.148     2.470   75.000   70.893
LGA    N    67_A      N    67_A     1.862     0    0.095   1.233     5.286   70.833   57.857
LGA    N    68_A      N    68_A     2.069     0    0.072   0.996     5.511   68.810   56.845
LGA    N    69_A      N    69_A     1.443     0    0.134   0.552     2.617   79.286   73.095
LGA    R    70_A      R    70_A     1.356     0    0.027   1.101     7.831   81.429   56.364
LGA    P    71_A      P    71_A     0.943     0    0.033   0.068     1.446   85.952   84.014
LGA    K    72_A      K    72_A     1.009     0    0.033   0.209     1.589   85.952   82.487
LGA    A    73_A      A    73_A     0.980     0    0.033   0.039     1.417   85.952   85.048
LGA    I    74_A      I    74_A     1.679     0    0.008   0.615     2.216   77.143   72.976
LGA    D    75_A      D    75_A     1.611     0    0.036   0.178     1.935   77.143   75.000
LGA    V    76_A      V    76_A     1.394     0    0.016   0.035     1.712   77.143   78.980
LGA    S    77_A      S    77_A     1.505     0    0.063   0.068     1.579   79.286   77.143
LGA    G    78_A      G    78_A     1.656     0    0.029   0.029     1.929   72.857   72.857
LGA    P    79_A      P    79_A     2.555     0    0.672   0.687     5.261   51.548   57.279
LGA    D    80_A      D    80_A     2.816     0    0.151   0.254     3.894   55.595   55.595
LGA    G    81_A      G    81_A     2.824     0    0.038   0.038     2.999   57.143   57.143
LGA    A    82_A      A    82_A     2.035     0    0.108   0.155     2.035   70.952   71.333
LGA    P    83_A      P    83_A     3.198     0    0.027   0.054     5.351   48.571   41.293
LGA    V    84_A      V    84_A     4.667     0    0.096   0.119     6.177   30.000   33.946
LGA    Q    85_A      Q    85_A     8.618     0    0.056   0.986    12.438    3.571    1.799
LGA    G    86_A      G    86_A     9.586     0    0.679   0.679    12.004    0.833    0.833
LGA    N    87_A      N    87_A    14.396     0    0.501   0.980    17.772    0.000    0.000
LGA    S    88_A      S    88_A    15.835     0    0.520   0.464    17.479    0.000    0.000
LGA    G    89_A      G    89_A    18.971     0    0.537   0.537    18.988    0.000    0.000
LGA    G    90_A      G    90_A    19.527     0    0.546   0.546    19.527    0.000    0.000
LGA    G    91_A      G    91_A    18.517     0    0.649   0.649    19.428    0.000    0.000
LGA    S    92_A      S    92_A    18.319     0    0.078   0.091    20.619    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):     6.948          6.863                  6.942           61.871   58.718

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     73    1.82    66.576    70.657     3.806

LGA_LOCAL      RMSD:   1.818  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   9.290  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   6.948  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.618921 * X  +  -0.192921 * Y  +   0.761393 * Z  +   1.847985
  Y_new =  -0.482360 * X  +   0.858396 * Y  +  -0.174600 * Z  +  -1.104906
  Z_new =  -0.619892 * X  +  -0.475329 * Y  +  -0.624336 * Z  +  -1.239807 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.479567  0.668606 -2.490877   [DEG: -142.0687   38.3083 -142.7167 ]
ZXZ:  1.345377  2.245078 -2.224958   [DEG:   77.0844  128.6335 -127.4807 ]
 
# END of job
