
#######################################################
#                                                     #
#                        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       1_A - 87_A        4.74     6.53
  LONGEST_CONTINUOUS_SEGMENT:    87       2_A - 88_A        4.75     6.46
  LCS_AVERAGE:     93.31

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72      11_A - 82_A        1.98     7.65
  LONGEST_CONTINUOUS_SEGMENT:    72      12_A - 83_A        1.96     7.62
  LCS_AVERAGE:     64.66

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      50_A - 79_A        0.99     7.85
  LONGEST_CONTINUOUS_SEGMENT:    30      51_A - 80_A        0.92     7.97
  LCS_AVERAGE:     17.77

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      4    5   87      4    4    4    6    6    7    7    9    9    9    9   10   10   10   10   11   12   13   15   16 
LCS_GDT     H     2_A     H     2_A      4    5   87      4    4    4    6    6    7    8    9    9    9    9   10   11   17   44   49   53   57   83   85 
LCS_GDT     M     3_A     M     3_A      4    5   87      4    4    4    6    6    7    8   11   19   26   43   48   60   74   80   83   83   83   84   85 
LCS_GDT     S     4_A     S     4_A      4    5   87      4    4    4    6    6    7    8    9   11   24   26   65   70   75   80   83   83   83   84   85 
LCS_GDT     G     5_A     G     5_A      4    5   87      3    3    4    6    6    7   14   20   36   43   54   65   67   75   77   83   83   83   84   85 
LCS_GDT     D     6_A     D     6_A      4    5   87      3    3    4   12   17   22   31   40   48   59   67   76   78   80   80   83   83   83   84   85 
LCS_GDT     N     7_A     N     7_A      4    9   87      3    4    9   21   40   51   64   67   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     G     8_A     G     8_A      4    9   87      3    4   10   26   35   45   58   65   72   74   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     G     9_A     G     9_A      5    9   87      0    4    5    7   10   20   29   46   60   63   72   74   77   78   79   79   80   82   83   85 
LCS_GDT     G    10_A     G    10_A      5   70   87      4    5    9   16   27   49   57   65   72   74   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     E    11_A     E    11_A      6   72   87      4    8   17   36   48   60   65   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     R    12_A     R    12_A     12   72   87     12   32   52   57   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     R    13_A     R    13_A     12   72   87     14   44   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     K    14_A     K    14_A     12   72   87     12   44   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     G    15_A     G    15_A     12   72   87     20   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     S    16_A     S    16_A     12   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     V    17_A     V    17_A     12   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     K    18_A     K    18_A     12   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     W    19_A     W    19_A     13   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     F    20_A     F    20_A     13   72   87     20   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     D    21_A     D    21_A     13   72   87     17   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     T    22_A     T    22_A     13   72   87      4   17   49   57   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     Q    23_A     Q    23_A     13   72   87      4   26   48   57   61   64   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     K    24_A     K    24_A     13   72   87      4   10   23   44   59   63   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     G    25_A     G    25_A     13   72   87      4   14   29   49   60   63   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     F    26_A     F    26_A     13   72   87      7   29   49   57   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     G    27_A     G    27_A     13   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     F    28_A     F    28_A     13   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     I    29_A     I    29_A     13   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     T    30_A     T    30_A     13   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     P    31_A     P    31_A     13   72   87     17   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     D    32_A     D    32_A      9   72   87     12   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     D    33_A     D    33_A      9   72   87      9   34   52   57   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     G    34_A     G    34_A      8   72   87      3    7    8   16   44   61   65   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     G    35_A     G    35_A     13   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     D    36_A     D    36_A     13   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     D    37_A     D    37_A     13   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     L    38_A     L    38_A     13   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     F    39_A     F    39_A     13   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     V    40_A     V    40_A     13   72   87     14   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     H    41_A     H    41_A     13   72   87      4   27   50   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     Q    42_A     Q    42_A     13   72   87     19   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     S    43_A     S    43_A     13   72   87     18   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     S    44_A     S    44_A     13   72   87      5   42   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     I    45_A     I    45_A     13   72   87     20   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     R    46_A     R    46_A     13   72   87      6   37   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     S    47_A     S    47_A     13   72   87      7   22   44   57   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     E    48_A     E    48_A      6   72   87      3   12   20   29   36   49   58   68   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     G    49_A     G    49_A      6   72   87      3    6   17   26   36   51   63   69   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     F    50_A     F    50_A     30   72   87      6   18   46   57   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     R    51_A     R    51_A     30   72   87     20   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     S    52_A     S    52_A     30   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     L    53_A     L    53_A     30   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     A    54_A     A    54_A     30   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     A    55_A     A    55_A     30   72   87      9   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     E    56_A     E    56_A     30   72   87     12   45   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     E    57_A     E    57_A     30   72   87     21   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     A    58_A     A    58_A     30   72   87      8   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     V    59_A     V    59_A     30   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     E    60_A     E    60_A     30   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     F    61_A     F    61_A     30   72   87     21   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     E    62_A     E    62_A     30   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     V    63_A     V    63_A     30   72   87     13   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     E    64_A     E    64_A     30   72   87     13   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     I    65_A     I    65_A     30   72   87     14   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     D    66_A     D    66_A     30   72   87     13   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     N    67_A     N    67_A     30   72   87     10   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     N    68_A     N    68_A     30   72   87      3   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     N    69_A     N    69_A     30   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     R    70_A     R    70_A     30   72   87     21   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     P    71_A     P    71_A     30   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     K    72_A     K    72_A     30   72   87     13   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     A    73_A     A    73_A     30   72   87     13   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     I    74_A     I    74_A     30   72   87      7   24   49   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     D    75_A     D    75_A     30   72   87      8   45   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     V    76_A     V    76_A     30   72   87     22   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     S    77_A     S    77_A     30   72   87     21   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     G    78_A     G    78_A     30   72   87     12   46   53   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     P    79_A     P    79_A     30   72   87      3    7   39   58   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     D    80_A     D    80_A     30   72   87      4   11   46   58   60   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     G    81_A     G    81_A      9   72   87      4    7   15   58   60   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     A    82_A     A    82_A      9   72   87      4   10   36   52   61   65   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     P    83_A     P    83_A      9   72   87      4    7   14   35   57   64   66   70   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     V    84_A     V    84_A      9   36   87      4    6    8   17   26   35   63   67   72   75   77   77   78   80   80   83   83   83   84   85 
LCS_GDT     Q    85_A     Q    85_A      6   15   87      4    6    8   11   14   21   27   35   51   64   70   74   78   80   80   83   83   83   84   85 
LCS_GDT     G    86_A     G    86_A      4   15   87      4    4    7   12   20   24   30   38   51   63   69   74   78   80   80   83   83   83   84   85 
LCS_GDT     N    87_A     N    87_A      4    4   87      4    4    4    4    5    6    8    9   22   31   36   39   48   57   74   80   81   83   84   85 
LCS_GDT     S    88_A     S    88_A      4    4   87      4    4    4    4    5    6   12   17   21   25   29   31   38   40   44   49   53   57   59   80 
LCS_GDT     G    89_A     G    89_A      3    4   86      3    3    3    3    5    6    8   17   21   25   29   31   38   40   44   49   53   57   59   80 
LCS_GDT     G    90_A     G    90_A      3    4   84      3    3    3    5    6   10   11   17   21   25   28   31   38   40   44   49   53   69   73   80 
LCS_GDT     G    91_A     G    91_A      3    4   36      3    3    3    5    6   10   11   13   17   20   22   29   38   40   44   49   53   57   73   80 
LCS_GDT     S    92_A     S    92_A      3    4   36      0    3    3    3    4    8   11   13   17   20   22   26   38   40   44   49   53   57   59   80 
LCS_AVERAGE  LCS_A:  58.58  (  17.77   64.66   93.31 )

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     22     46     53     58     61     65     66     70     72     75     77     77     78     80     80     83     83     83     84     85 
GDT PERCENT_AT  23.91  50.00  57.61  63.04  66.30  70.65  71.74  76.09  78.26  81.52  83.70  83.70  84.78  86.96  86.96  90.22  90.22  90.22  91.30  92.39
GDT RMS_LOCAL    0.34   0.57   0.72   1.01   1.11   1.31   1.37   1.69   2.00   2.23   2.44   2.44   2.64   3.04   3.04   3.86   3.86   3.86   4.09   4.24
GDT RMS_ALL_AT   7.91   7.93   7.88   7.93   7.79   7.77   7.82   7.86   7.57   7.44   7.38   7.38   7.28   7.07   7.07   6.70   6.70   6.70   6.60   6.57

# Checking swapping
#   possible swapping detected:  E    11_A      E    11_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:  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    60_A      E    60_A
#   possible swapping detected:  E    62_A      E    62_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    20.259     0    0.049   0.049    22.196    0.000    0.000
LGA    H     2_A      H     2_A    14.260     0    0.107   1.194    16.545    0.000    3.238
LGA    M     3_A      M     3_A    15.767     0    0.043   0.981    17.806    0.000    0.000
LGA    S     4_A      S     4_A    16.089     0    0.476   0.643    16.987    0.000    0.000
LGA    G     5_A      G     5_A    17.630     0    0.060   0.060    17.630    0.000    0.000
LGA    D     6_A      D     6_A    11.522     0    0.684   1.038    13.455    2.143    1.071
LGA    N     7_A      N     7_A     7.564     0    0.389   1.230     9.327    7.143    7.143
LGA    G     8_A      G     8_A     8.046     0    0.654   0.654     9.270    4.762    4.762
LGA    G     9_A      G     9_A    10.465     0    0.559   0.559    10.465    0.833    0.833
LGA    G    10_A      G    10_A     6.258     0    0.617   0.617     7.517   21.905   21.905
LGA    E    11_A      E    11_A     4.967     0    0.284   0.903     7.281   34.881   26.032
LGA    R    12_A      R    12_A     1.670     0    0.032   1.251     6.638   63.214   51.991
LGA    R    13_A      R    13_A     0.951     0    0.074   0.831     2.109   90.476   82.424
LGA    K    14_A      K    14_A     0.942     0    0.048   0.603     3.025   85.952   71.852
LGA    G    15_A      G    15_A     0.310     0    0.019   0.019     0.411  100.000  100.000
LGA    S    16_A      S    16_A     0.164     0    0.060   0.582     2.208   97.619   92.540
LGA    V    17_A      V    17_A     0.131     0    0.077   0.142     0.581   97.619   98.639
LGA    K    18_A      K    18_A     0.400     0    0.013   0.880     2.210  100.000   86.931
LGA    W    19_A      W    19_A     0.788     0    0.037   0.504     2.637   92.857   80.000
LGA    F    20_A      F    20_A     1.119     0    0.100   0.169     1.683   83.690   79.913
LGA    D    21_A      D    21_A     0.398     0    0.064   0.352     2.916   90.595   80.833
LGA    T    22_A      T    22_A     2.182     0    0.051   1.169     4.552   61.667   53.197
LGA    Q    23_A      Q    23_A     2.910     0    0.064   1.151     4.197   52.262   56.772
LGA    K    24_A      K    24_A     3.867     0    0.072   0.934     4.381   43.452   43.439
LGA    G    25_A      G    25_A     3.475     0    0.072   0.072     3.475   51.786   51.786
LGA    F    26_A      F    26_A     1.830     0    0.062   0.082     3.290   79.643   66.104
LGA    G    27_A      G    27_A     0.553     0    0.149   0.149     0.553   97.619   97.619
LGA    F    28_A      F    28_A     0.235     0    0.062   0.095     0.488  100.000  100.000
LGA    I    29_A      I    29_A     0.245     0    0.040   0.044     0.452  100.000  100.000
LGA    T    30_A      T    30_A     0.359     0    0.053   0.056     0.544  100.000   97.279
LGA    P    31_A      P    31_A     0.554     0    0.054   0.069     0.669   92.857   91.837
LGA    D    32_A      D    32_A     0.720     0    0.101   0.894     2.299   90.476   82.798
LGA    D    33_A      D    33_A     1.980     0    0.063   0.613     4.876   63.690   54.583
LGA    G    34_A      G    34_A     4.247     0    0.709   0.709     4.247   48.571   48.571
LGA    G    35_A      G    35_A     0.475     0    0.417   0.417     1.385   95.357   95.357
LGA    D    36_A      D    36_A     0.421     0    0.025   0.630     1.701  100.000   91.905
LGA    D    37_A      D    37_A     0.430     0    0.029   0.597     1.838   97.619   94.226
LGA    L    38_A      L    38_A     0.518     0    0.009   1.181     2.730   92.857   86.667
LGA    F    39_A      F    39_A     0.745     0    0.026   0.350     2.038   90.476   84.113
LGA    V    40_A      V    40_A     0.987     0    0.015   0.122     1.535   83.810   85.374
LGA    H    41_A      H    41_A     2.114     0    0.136   0.455     5.858   75.119   50.571
LGA    Q    42_A      Q    42_A     1.131     0    0.018   1.084     4.421   85.952   75.714
LGA    S    43_A      S    43_A     0.440     0    0.074   0.587     2.474   92.976   87.857
LGA    S    44_A      S    44_A     0.869     0    0.038   0.633     1.997   90.476   86.032
LGA    I    45_A      I    45_A     0.562     0    0.090   0.672     1.911   86.190   86.131
LGA    R    46_A      R    46_A     1.652     0    0.575   1.321     4.025   64.048   66.104
LGA    S    47_A      S    47_A     3.084     0    0.082   0.685     4.419   47.262   50.556
LGA    E    48_A      E    48_A     7.093     0    0.040   0.880    13.267   11.548    5.767
LGA    G    49_A      G    49_A     6.416     0    0.174   0.174     6.416   25.714   25.714
LGA    F    50_A      F    50_A     3.558     0    0.035   0.615     4.973   43.810   38.571
LGA    R    51_A      R    51_A     0.952     0    0.095   0.889     5.370   86.071   68.182
LGA    S    52_A      S    52_A     0.982     0    0.046   0.069     1.262   90.476   87.460
LGA    L    53_A      L    53_A     0.887     0    0.064   0.317     1.829   88.214   81.607
LGA    A    54_A      A    54_A     0.441     0    0.030   0.041     0.507   97.619   98.095
LGA    A    55_A      A    55_A     1.140     0    0.622   0.603     3.380   75.833   76.952
LGA    E    56_A      E    56_A     1.521     0    0.018   0.698     3.719   77.143   67.090
LGA    E    57_A      E    57_A     0.546     0    0.034   1.212     4.560   90.476   79.471
LGA    A    58_A      A    58_A     0.758     0    0.082   0.114     1.065   90.476   88.667
LGA    V    59_A      V    59_A     0.299     0    0.017   0.129     0.330  100.000  100.000
LGA    E    60_A      E    60_A     0.460     0    0.037   0.564     2.113   92.976   83.810
LGA    F    61_A      F    61_A     0.777     0    0.140   0.186     1.155   88.214   91.385
LGA    E    62_A      E    62_A     0.615     0    0.030   1.037     4.907   90.476   69.312
LGA    V    63_A      V    63_A     0.875     0    0.060   0.144     0.986   90.476   90.476
LGA    E    64_A      E    64_A     1.264     0    0.100   0.613     1.527   81.429   80.476
LGA    I    65_A      I    65_A     1.095     0    0.046   0.597     1.565   83.690   81.488
LGA    D    66_A      D    66_A     0.941     0    0.081   0.698     2.862   85.952   78.631
LGA    N    67_A      N    67_A     1.173     0    0.058   1.009     2.807   83.690   76.488
LGA    N    68_A      N    68_A     1.099     0    0.062   1.417     4.302   85.952   73.036
LGA    N    69_A      N    69_A     0.826     0    0.087   0.198     1.004   88.214   89.345
LGA    R    70_A      R    70_A     0.624     0    0.062   1.158     7.022   90.476   64.545
LGA    P    71_A      P    71_A     0.699     0    0.024   0.346     1.315   90.476   87.891
LGA    K    72_A      K    72_A     0.714     0    0.094   0.672     2.807   90.476   81.905
LGA    A    73_A      A    73_A     0.824     0    0.039   0.041     1.473   85.952   86.857
LGA    I    74_A      I    74_A     2.268     0    0.698   1.456     4.231   59.881   56.071
LGA    D    75_A      D    75_A     1.592     0    0.360   0.721     2.427   70.833   75.119
LGA    V    76_A      V    76_A     0.959     0    0.012   0.077     1.170   85.952   85.306
LGA    S    77_A      S    77_A     1.081     0    0.033   0.111     1.224   88.214   87.460
LGA    G    78_A      G    78_A     1.175     0    0.087   0.087     1.745   79.286   79.286
LGA    P    79_A      P    79_A     2.658     0    0.693   0.679     5.567   48.690   55.646
LGA    D    80_A      D    80_A     3.239     0    0.077   0.179     4.337   46.905   49.405
LGA    G    81_A      G    81_A     3.426     0    0.040   0.040     4.095   46.786   46.786
LGA    A    82_A      A    82_A     2.976     0    0.099   0.129     3.026   57.262   57.238
LGA    P    83_A      P    83_A     4.610     0    0.015   0.366     6.457   31.548   26.667
LGA    V    84_A      V    84_A     5.636     0    0.091   1.068     7.658   17.500   21.293
LGA    Q    85_A      Q    85_A    10.274     0    0.617   1.217    13.041    1.190    0.582
LGA    G    86_A      G    86_A    11.439     0    0.155   0.155    14.341    0.000    0.000
LGA    N    87_A      N    87_A    16.188     0    0.548   1.359    19.062    0.000    0.000
LGA    S    88_A      S    88_A    21.772     0    0.122   0.691    24.336    0.000    0.000
LGA    G    89_A      G    89_A    24.364     0    0.425   0.425    24.364    0.000    0.000
LGA    G    90_A      G    90_A    23.911     0    0.373   0.373    25.211    0.000    0.000
LGA    G    91_A      G    91_A    25.293     0    0.624   0.624    26.520    0.000    0.000
LGA    S    92_A      S    92_A    26.914     0    0.602   0.879    29.926    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):     6.193          6.169                  5.776           63.019   59.443

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     70    1.69    69.837    69.979     3.905

LGA_LOCAL      RMSD:   1.692  Number of atoms:   70  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.859  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   6.193  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.589764 * X  +   0.439765 * Y  +  -0.677337 * Z  +  -7.275545
  Y_new =   0.782494 * X  +   0.518588 * Y  +  -0.344629 * Z  +   6.173582
  Z_new =   0.199703 * X  +  -0.733262 * Y  +  -0.649958 * Z  +  -3.598889 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.216660 -0.201055 -2.296043   [DEG:  127.0053  -11.5196 -131.5536 ]
ZXZ: -1.100133  2.278326  2.875693   [DEG:  -63.0330  130.5385  164.7651 ]
 
# END of job
