
#######################################################
#                                                     #
#                        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:    88       2_A - 89_A        4.96     6.03
  LCS_AVERAGE:     94.42

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      11_A - 83_A        2.00     7.26
  LONGEST_CONTINUOUS_SEGMENT:    73      12_A - 84_A        1.99     7.27
  LCS_AVERAGE:     65.94

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      50_A - 79_A        0.95     7.53
  LONGEST_CONTINUOUS_SEGMENT:    30      51_A - 80_A        0.92     7.64
  LCS_AVERAGE:     18.69

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    3   87      0    3    3    3    3    4    5    7    7    8    8    9   10   11   11   11   25   29   31   32 
LCS_GDT     H     2_A     H     2_A      3    3   88      3    3    3    3    4    5    6    7    8    9    9    9   10   16   19   33   37   41   77   86 
LCS_GDT     M     3_A     M     3_A      3    5   88      3    3    4    4    5    5    6    7    8   12   16   22   28   48   52   69   80   84   84   87 
LCS_GDT     S     4_A     S     4_A      4    5   88      3    3    4    4    6    7    9   14   44   56   69   73   77   80   81   82   82   84   84   87 
LCS_GDT     G     5_A     G     5_A      4    5   88      3    3    4    5    8    8    9   10   35   44   52   66   70   77   81   82   82   84   84   87 
LCS_GDT     D     6_A     D     6_A      4    5   88      3    8    9   11   13   23   32   56   65   69   74   77   78   80   81   82   82   84   84   87 
LCS_GDT     N     7_A     N     7_A      4    5   88      3    8   28   47   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     G     8_A     G     8_A      3    7   88      3    3   15   20   29   39   54   64   71   74   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     G     9_A     G     9_A      5   10   88      3    5    6    8   18   22   40   53   62   68   73   78   78   78   80   81   82   83   84   87 
LCS_GDT     G    10_A     G    10_A      5   70   88      4    5    6    9   21   41   52   59   67   73   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     E    11_A     E    11_A      7   73   88      4    5   13   26   44   53   64   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     R    12_A     R    12_A     12   73   88     10   24   43   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     R    13_A     R    13_A     12   73   88     12   38   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     K    14_A     K    14_A     12   73   88     12   38   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     G    15_A     G    15_A     12   73   88     23   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     S    16_A     S    16_A     12   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     V    17_A     V    17_A     12   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     K    18_A     K    18_A     12   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     W    19_A     W    19_A     12   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     F    20_A     F    20_A     12   73   88     16   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     D    21_A     D    21_A     12   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     T    22_A     T    22_A     12   73   88      4   16   40   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     Q    23_A     Q    23_A     12   73   88      4   32   49   57   61   64   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     K    24_A     K    24_A     11   73   88      4   10   24   44   58   64   66   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     G    25_A     G    25_A     11   73   88      3   14   32   48   61   64   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     F    26_A     F    26_A     16   73   88      7   32   50   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     G    27_A     G    27_A     17   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     F    28_A     F    28_A     17   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     I    29_A     I    29_A     17   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     T    30_A     T    30_A     17   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     P    31_A     P    31_A     17   73   88     23   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     D    32_A     D    32_A     17   73   88     12   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     D    33_A     D    33_A     17   73   88     10   37   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     G    34_A     G    34_A     17   73   88      3    3   13   35   58   64   66   70   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     G    35_A     G    35_A     17   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     D    36_A     D    36_A     17   73   88     22   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     D    37_A     D    37_A     17   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     L    38_A     L    38_A     17   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     F    39_A     F    39_A     17   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     V    40_A     V    40_A     17   73   88     13   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     H    41_A     H    41_A     17   73   88      3   27   50   57   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     Q    42_A     Q    42_A     17   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     S    43_A     S    43_A     17   73   88     17   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     S    44_A     S    44_A     13   73   88      5   41   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     I    45_A     I    45_A     13   73   88     15   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     R    46_A     R    46_A     13   73   88      6   38   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     S    47_A     S    47_A     13   73   88     10   22   45   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     E    48_A     E    48_A      7   73   88      4   13   21   30   42   54   65   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     G    49_A     G    49_A      7   73   88      3    6   18   24   44   54   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     F    50_A     F    50_A     30   73   88      3   16   46   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     R    51_A     R    51_A     30   73   88     17   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     S    52_A     S    52_A     30   73   88     14   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     L    53_A     L    53_A     30   73   88     16   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     A    54_A     A    54_A     30   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     A    55_A     A    55_A     30   73   88      8   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     E    56_A     E    56_A     30   73   88     11   44   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     E    57_A     E    57_A     30   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     A    58_A     A    58_A     30   73   88      8   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     V    59_A     V    59_A     30   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     E    60_A     E    60_A     30   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     F    61_A     F    61_A     30   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     E    62_A     E    62_A     30   73   88     23   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     V    63_A     V    63_A     30   73   88      8   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     E    64_A     E    64_A     30   73   88      8   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     I    65_A     I    65_A     30   73   88      7   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     D    66_A     D    66_A     30   73   88      8   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     N    67_A     N    67_A     30   73   88      9   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     N    68_A     N    68_A     30   73   88     22   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     N    69_A     N    69_A     30   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     R    70_A     R    70_A     30   73   88     18   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     P    71_A     P    71_A     30   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     K    72_A     K    72_A     30   73   88     14   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     A    73_A     A    73_A     30   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     I    74_A     I    74_A     30   73   88     13   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     D    75_A     D    75_A     30   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     V    76_A     V    76_A     30   73   88     24   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     S    77_A     S    77_A     30   73   88     18   47   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     G    78_A     G    78_A     30   73   88     11   44   54   58   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     P    79_A     P    79_A     30   73   88      3   10   42   57   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     D    80_A     D    80_A     30   73   88      4   13   47   57   61   66   67   71   73   75   77   78   78   80   81   82   82   83   84   87 
LCS_GDT     G    81_A     G    81_A     10   73   88      4    8   15   56   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     A    82_A     A    82_A     10   73   88      4    8   25   54   61   66   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     P    83_A     P    83_A     10   73   88      4    8   17   35   58   64   67   71   73   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     V    84_A     V    84_A      9   73   88      4    6   10   12   21   36   64   68   72   75   77   78   78   80   81   82   82   84   84   87 
LCS_GDT     Q    85_A     Q    85_A      6   15   88      4    6    7   12   14   21   27   36   56   67   73   76   78   80   81   82   82   84   84   87 
LCS_GDT     G    86_A     G    86_A      4   15   88      3    4    8   12   19   23   33   40   56   65   72   76   77   80   81   82   82   84   84   87 
LCS_GDT     N    87_A     N    87_A      4    6   88      3    4    4    5    5    6    8   12   13   31   36   39   46   54   70   77   80   84   84   87 
LCS_GDT     S    88_A     S    88_A      4    6   88      3    4    4    5    7    7    9   18   22   26   30   32   34   39   54   58   64   72   77   85 
LCS_GDT     G    89_A     G    89_A      4    6   88      3    4    7    7   10   14   18   23   28   31   36   39   50   54   68   77   80   84   84   87 
LCS_GDT     G    90_A     G    90_A      3    6   87      3    3    7    7    8   11   13   15   18   24   27   37   44   49   55   61   72   79   80   87 
LCS_GDT     G    91_A     G    91_A      3    4   37      3    3    7    7    8   11   13   15   18   19   25   30   34   46   54   58   64   69   72   84 
LCS_GDT     S    92_A     S    92_A      3    3   37      3    3    3    3    4    8   11   12   13   21   25   30   37   48   54   65   69   76   82   86 
LCS_AVERAGE  LCS_A:  59.68  (  18.69   65.94   94.42 )

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     24     47     54     58     61     66     67     71     73     75     77     78     78     80     81     82     82     84     84     87 
GDT PERCENT_AT  26.09  51.09  58.70  63.04  66.30  71.74  72.83  77.17  79.35  81.52  83.70  84.78  84.78  86.96  88.04  89.13  89.13  91.30  91.30  94.57
GDT RMS_LOCAL    0.39   0.60   0.75   0.95   1.09   1.40   1.47   1.92   1.93   2.11   2.38   2.57   2.57   2.95   3.17   3.46   3.31   4.35   3.88   4.77
GDT RMS_ALL_AT   7.76   7.67   7.60   7.58   7.60   7.36   7.30   7.16   7.28   7.16   7.07   7.05   7.05   6.76   6.63   6.50   6.62   6.14   6.38   6.05

# 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    64_A      E    64_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    18.174     0    0.419   0.419    20.099    0.000    0.000
LGA    H     2_A      H     2_A    16.355     0    0.620   1.159    17.298    0.000    0.000
LGA    M     3_A      M     3_A    17.028     0    0.654   1.167    21.596    0.000    0.000
LGA    S     4_A      S     4_A    12.523     0    0.361   0.644    14.132    0.000    0.238
LGA    G     5_A      G     5_A    15.249     0    0.283   0.283    15.249    0.000    0.000
LGA    D     6_A      D     6_A     9.732     0    0.548   1.144    11.617    8.810    4.405
LGA    N     7_A      N     7_A     3.588     0    0.005   1.342     6.034   36.786   37.143
LGA    G     8_A      G     8_A     7.748     0    0.219   0.219     9.819    8.452    8.452
LGA    G     9_A      G     9_A     9.679     0    0.439   0.439    10.649    1.667    1.667
LGA    G    10_A      G    10_A     7.000     0    0.590   0.590     7.381   16.548   16.548
LGA    E    11_A      E    11_A     5.349     0    0.098   0.571     8.341   32.500   21.005
LGA    R    12_A      R    12_A     2.023     0    0.038   0.422     5.884   57.381   50.433
LGA    R    13_A      R    13_A     1.065     0    0.087   0.834     3.386   85.952   73.506
LGA    K    14_A      K    14_A     0.958     0    0.050   0.602     3.188   85.952   71.852
LGA    G    15_A      G    15_A     0.310     0    0.026   0.026     0.402  100.000  100.000
LGA    S    16_A      S    16_A     0.357     0    0.060   0.579     1.774   97.619   92.302
LGA    V    17_A      V    17_A     0.296     0    0.091   0.161     0.996   97.619   98.639
LGA    K    18_A      K    18_A     0.498     0    0.014   0.903     2.378   97.619   86.825
LGA    W    19_A      W    19_A     0.430     0    0.011   0.891     7.147  100.000   57.415
LGA    F    20_A      F    20_A     0.912     0    0.102   0.184     1.794   90.476   81.602
LGA    D    21_A      D    21_A     0.443     0    0.078   0.414     2.884   90.595   81.905
LGA    T    22_A      T    22_A     2.083     0    0.031   1.164     4.233   63.333   54.966
LGA    Q    23_A      Q    23_A     2.901     0    0.212   1.030     4.812   53.810   52.063
LGA    K    24_A      K    24_A     4.109     0    0.045   0.905     4.633   37.262   39.312
LGA    G    25_A      G    25_A     3.548     0    0.059   0.059     3.548   50.119   50.119
LGA    F    26_A      F    26_A     1.827     0    0.070   0.075     3.727   79.643   62.900
LGA    G    27_A      G    27_A     0.489     0    0.149   0.149     0.489  100.000  100.000
LGA    F    28_A      F    28_A     0.196     0    0.071   0.157     0.651  100.000   96.537
LGA    I    29_A      I    29_A     0.169     0    0.044   0.045     0.503  100.000   98.810
LGA    T    30_A      T    30_A     0.189     0    0.050   0.052     0.251  100.000  100.000
LGA    P    31_A      P    31_A     0.617     0    0.043   0.053     0.852   90.476   90.476
LGA    D    32_A      D    32_A     0.639     0    0.103   0.887     2.736   90.476   80.893
LGA    D    33_A      D    33_A     1.794     0    0.077   1.186     3.797   63.690   62.679
LGA    G    34_A      G    34_A     3.998     0    0.047   0.047     3.998   65.952   65.952
LGA    G    35_A      G    35_A     0.908     0    0.462   0.462     2.629   84.524   84.524
LGA    D    36_A      D    36_A     1.213     0    0.023   0.632     2.900   81.429   78.452
LGA    D    37_A      D    37_A     0.762     0    0.045   0.594     2.260   90.476   87.262
LGA    L    38_A      L    38_A     0.803     0    0.014   1.203     2.449   90.476   84.048
LGA    F    39_A      F    39_A     0.876     0    0.027   0.353     2.166   88.214   82.468
LGA    V    40_A      V    40_A     1.200     0    0.020   0.126     1.671   79.405   80.272
LGA    H    41_A      H    41_A     2.381     0    0.137   0.448     6.204   72.976   47.048
LGA    Q    42_A      Q    42_A     1.367     0    0.061   0.917     4.113   83.810   74.762
LGA    S    43_A      S    43_A     0.741     0    0.053   0.599     2.944   88.214   83.413
LGA    S    44_A      S    44_A     1.020     0    0.019   0.643     1.662   88.214   84.524
LGA    I    45_A      I    45_A     0.374     0    0.153   0.677     1.366   90.595   88.274
LGA    R    46_A      R    46_A     0.924     0    0.396   1.137    10.455   81.786   44.242
LGA    S    47_A      S    47_A     1.862     0    0.101   0.185     3.083   67.619   69.365
LGA    E    48_A      E    48_A     5.371     0    0.041   0.877    11.395   26.667   15.026
LGA    G    49_A      G    49_A     4.819     0    0.215   0.215     4.819   42.500   42.500
LGA    F    50_A      F    50_A     2.547     0    0.020   0.400     5.096   55.476   43.463
LGA    R    51_A      R    51_A     0.695     0    0.163   0.928     4.402   85.952   74.026
LGA    S    52_A      S    52_A     1.235     0    0.063   0.086     1.696   81.429   78.571
LGA    L    53_A      L    53_A     0.812     0    0.044   0.295     2.024   88.214   81.726
LGA    A    54_A      A    54_A     0.349     0    0.034   0.048     0.676  100.000   98.095
LGA    A    55_A      A    55_A     0.936     0    0.621   0.601     3.654   78.810   81.143
LGA    E    56_A      E    56_A     1.360     0    0.017   0.700     3.252   81.429   74.180
LGA    E    57_A      E    57_A     0.907     0    0.034   1.213     5.135   85.952   71.587
LGA    A    58_A      A    58_A     1.147     0    0.083   0.114     1.541   83.690   81.524
LGA    V    59_A      V    59_A     0.709     0    0.019   0.135     0.730   90.476   91.837
LGA    E    60_A      E    60_A     0.802     0    0.039   0.557     2.096   88.214   81.640
LGA    F    61_A      F    61_A     1.080     0    0.076   0.112     1.177   83.690   88.052
LGA    E    62_A      E    62_A     1.209     0    0.092   0.789     3.127   81.429   71.534
LGA    V    63_A      V    63_A     1.330     0    0.058   1.245     3.023   81.429   75.714
LGA    E    64_A      E    64_A     1.893     0    0.107   0.627     2.477   72.857   69.259
LGA    I    65_A      I    65_A     1.673     0    0.042   0.598     1.985   72.857   72.857
LGA    D    66_A      D    66_A     1.399     0    0.079   0.699     3.504   75.000   69.464
LGA    N    67_A      N    67_A     1.787     0    0.057   1.008     2.877   72.857   70.952
LGA    N    68_A      N    68_A     1.714     0    0.061   1.416     3.851   72.857   67.202
LGA    N    69_A      N    69_A     1.441     0    0.087   0.197     1.766   79.286   77.143
LGA    R    70_A      R    70_A     0.866     0    0.062   1.160     6.562   88.214   67.229
LGA    P    71_A      P    71_A     1.243     0    0.026   0.346     1.807   85.952   81.565
LGA    K    72_A      K    72_A     0.882     0    0.096   0.670     2.451   90.476   85.714
LGA    A    73_A      A    73_A     0.921     0    0.020   0.025     1.463   85.952   86.857
LGA    I    74_A      I    74_A     1.780     0    0.051   0.529     2.321   77.143   70.952
LGA    D    75_A      D    75_A     1.677     0    0.055   0.881     5.102   72.857   61.310
LGA    V    76_A      V    76_A     1.459     0    0.020   0.095     1.734   75.000   76.531
LGA    S    77_A      S    77_A     1.539     0    0.036   0.172     1.539   79.286   81.508
LGA    G    78_A      G    78_A     1.707     0    0.105   0.105     2.241   70.833   70.833
LGA    P    79_A      P    79_A     3.156     0    0.692   0.682     5.932   44.881   50.204
LGA    D    80_A      D    80_A     3.883     0    0.076   0.179     4.785   40.476   40.417
LGA    G    81_A      G    81_A     3.783     0    0.043   0.043     4.214   41.786   41.786
LGA    A    82_A      A    82_A     3.042     0    0.085   0.111     3.042   57.262   57.238
LGA    P    83_A      P    83_A     4.190     0    0.045   0.371     5.817   35.952   31.156
LGA    V    84_A      V    84_A     5.281     0    0.085   1.073     7.055   21.667   24.354
LGA    Q    85_A      Q    85_A     9.421     0    0.622   1.254    12.270    2.143    3.280
LGA    G    86_A      G    86_A    10.551     0    0.693   0.693    12.358    0.119    0.119
LGA    N    87_A      N    87_A    16.108     0    0.407   1.161    18.955    0.000    0.000
LGA    S    88_A      S    88_A    20.296     0    0.381   0.356    22.974    0.000    0.000
LGA    G    89_A      G    89_A    18.775     0    0.314   0.314    19.277    0.000    0.000
LGA    G    90_A      G    90_A    21.036     0    0.294   0.294    24.273    0.000    0.000
LGA    G    91_A      G    91_A    24.636     0    0.085   0.085    25.622    0.000    0.000
LGA    S    92_A      S    92_A    23.173     0    0.514   0.849    25.660    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):     5.891          5.839                  5.787           62.408   57.998

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     71    1.92    70.109    70.742     3.519

LGA_LOCAL      RMSD:   1.917  Number of atoms:   71  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.162  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   5.891  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.836669 * X  +   0.424513 * Y  +  -0.346083 * Z  +  -5.299329
  Y_new =   0.110317 * X  +   0.749539 * Y  +   0.652703 * Z  +   8.559708
  Z_new =   0.536483 * X  +   0.507918 * Y  +  -0.673947 * Z  +  -8.029737 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.010496 -0.566265  2.495762   [DEG:  172.4887  -32.4446  142.9966 ]
ZXZ: -2.654054  2.310335  0.812743   [DEG: -152.0661  132.3725   46.5667 ]
 
# END of job
