
#######################################################
#                                                     #
#                        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   83 (  654),  selected   81 , name one
# Molecule2: number of CA atoms   81 (  640),  selected   81 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    39      27_B - 65_B        5.00    14.91
  LCS_AVERAGE:     40.83

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      42_B - 63_B        1.95    15.18
  LONGEST_CONTINUOUS_SEGMENT:    22      43_B - 64_B        1.69    15.16
  LONGEST_CONTINUOUS_SEGMENT:    22      44_B - 65_B        1.85    15.17
  LCS_AVERAGE:     17.57

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      45_B - 63_B        0.97    15.18
  LCS_AVERAGE:     13.49

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   81
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     3_B     G     3_B      3    6   12      3    3    3    5    7    8    9   10   10   11   11   13   16   20   21   24   26   29   30   33 
LCS_GDT     M     4_B     M     4_B      3    8   12      3    3    4    5    7    8   10   11   11   11   11   13   16   20   21   24   26   29   30   33 
LCS_GDT     E     5_B     E     5_B      6    9   12      4    6    6    8    8    9   10   11   11   11   11   13   16   20   21   24   26   29   30   38 
LCS_GDT     K     6_B     K     6_B      6    9   12      4    6    6    8    8    9    9   11   11   11   11   13   29   32   34   34   35   39   44   46 
LCS_GDT     V     7_B     V     7_B      6    9   12      4    6    6    8    8   11   12   19   25   30   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     T     8_B     T     8_B      6    9   12      4    6    6    8   11   20   22   24   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     V     9_B     V     9_B      6    9   23      4    6    6    8    8    9   10   21   22   24   30   35   38   39   40   42   43   45   47   48 
LCS_GDT     V    10_B     V    10_B      6    9   23      4    6    6    8    8    9   10   12   15   17   21   23   26   28   32   36   38   42   45   46 
LCS_GDT     L    11_B     L    11_B      5    9   23      3    4    6    8    8    9   10   11   11   16   21   23   26   26   28   31   32   36   39   43 
LCS_GDT     Y    12_B     Y    12_B      3    9   23      3    4    5    8    8    9   10   11   15   17   21   23   26   26   28   31   32   33   33   39 
LCS_GDT     V    13_B     V    13_B      3    9   23      3    3    3    5    7    8    9   10   10   13   18   22   26   26   28   31   32   33   33   34 
LCS_GDT     N    14_B     N    14_B      3    6   23      3    3    3    5    7   10   10   11   15   17   21   23   26   26   28   31   32   33   33   37 
LCS_GDT     G    15_B     G    15_B      3    7   23      3    3    5    6    8   10   11   11   15   16   21   23   26   26   28   31   32   33   33   37 
LCS_GDT     D    16_B     D    16_B      4    7   23      3    3    5    6    8   10   11   11   15   16   18   22   26   26   27   28   32   33   33   37 
LCS_GDT     E    17_B     E    17_B      4    7   23      3    3    5    6    8   10   11   11   15   17   21   23   26   26   28   31   32   33   36   39 
LCS_GDT     V    18_B     V    18_B      4    7   23      3    4    5    6    8   10   11   11   15   17   21   23   26   26   28   31   32   36   41   44 
LCS_GDT     A    19_B     A    19_B      4    7   23      3    4    5    6    8   10   11   11   15   17   21   23   26   26   28   31   35   38   42   45 
LCS_GDT     L    20_B     L    20_B      4    7   23      3    4    4    5    7    8   10   11   15   17   21   23   26   26   28   31   35   38   41   45 
LCS_GDT     V    21_B     V    21_B      4    7   23      3    4    4    4    7   10   11   11   15   17   21   23   26   26   28   31   35   39   41   44 
LCS_GDT     H    22_B     H    22_B      3    5   24      3    4    4    6    6    6   11   12   13   16   18   23   26   31   35   37   38   42   43   45 
LCS_GDT     A    23_B     A    23_B      3    5   24      3    4    4    5    8   10   13   17   19   21   31   34   36   38   38   40   41   42   43   45 
LCS_GDT     F    24_B     F    24_B      4    5   24      3    4    4    6    8   10   13   17   19   20   31   34   36   38   38   40   41   42   45   46 
LCS_GDT     M    25_B     M    25_B      4   10   24      3    4    4    6    8   10   13   17   19   20   32   34   36   38   38   40   41   42   43   45 
LCS_GDT     T    26_B     T    26_B      9   10   24      6    9   12   18   22   25   25   26   27   28   32   34   37   39   40   40   43   45   47   48 
LCS_GDT     T    27_B     T    27_B      9   10   39      6    9   12   18   22   25   25   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     A    28_B     A    28_B      9   10   39      6    9   12   18   22   25   25   26   27   28   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     S    29_B     S    29_B      9   10   39      6    9   12   18   22   25   25   26   27   29   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     L    30_B     L    30_B      9   10   39      6    9   12   18   22   25   25   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     L    31_B     L    31_B      9   10   39      5    8   12   18   22   25   25   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     A    32_B     A    32_B      9   10   39      6    9   12   18   22   25   25   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     K    33_B     K    33_B      9   10   39      5    8   10   18   22   25   25   26   27   28   32   35   38   39   40   42   43   45   47   48 
LCS_GDT     E    34_B     E    34_B      9   10   39      5    8    9    9    9   25   25   26   27   28   32   34   36   38   38   42   43   45   47   48 
LCS_GDT     G    35_B     G    35_B      3   10   39      3    3    4    6    6   10   20   26   27   28   30   34   36   38   38   40   42   45   46   48 
LCS_GDT     K    36_B     K    36_B      3    4   39      3    3    4    6    7   10   16   20   27   28   32   34   36   38   38   42   43   45   47   48 
LCS_GDT     L    37_B     L    37_B      3    4   39      0    3    5    6    6    7   12   19   20   22   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     V    38_B     V    38_B      4    4   39      3    3    5    8    9   13   16   20   23   27   32   34   37   39   40   42   43   45   47   48 
LCS_GDT     E    39_B     E    39_B      4    4   39      3    3    5    8    9   13   16   19   22   25   30   34   36   38   38   42   43   45   47   48 
LCS_GDT     K    40_B     K    40_B      4    4   39      3    3    5    8    9   11   13   23   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     L    41_B     L    41_B      4    4   39      2    3   11   17   18   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     I    42_B     I    42_B      4   22   39      2    3    4    7   11   14   20   24   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     L    43_B     L    43_B      4   22   39      3    3    4    4   12   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     T    44_B     T    44_B     13   22   39      3    4   11   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     S    45_B     S    45_B     19   22   39      4   15   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     N    46_B     N    46_B     19   22   39      3    3   10   19   20   20   23   26   27   30   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     F    47_B     F    47_B     19   22   39      5   15   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     T    48_B     T    48_B     19   22   39      5   15   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     E    49_B     E    49_B     19   22   39      7   15   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     R    50_B     R    50_B     19   22   39     10   15   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     T    51_B     T    51_B     19   22   39     10   15   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     V    52_B     V    52_B     19   22   39      7   15   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     R    53_B     R    53_B     19   22   39      7   15   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     R    54_B     R    54_B     19   22   39     10   15   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     A    55_B     A    55_B     19   22   39     10   15   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     F    56_B     F    56_B     19   22   39     10   14   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     D    57_B     D    57_B     19   22   39     10   15   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     L    58_B     L    58_B     19   22   39     10   15   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     V    59_B     V    59_B     19   22   39     10   15   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     R    60_B     R    60_B     19   22   39     10   15   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     E    61_B     E    61_B     19   22   39     10   15   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     L    62_B     L    62_B     19   22   39      7   15   18   19   20   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     L    63_B     L    63_B     19   22   39      5   14   18   19   20   21   23   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     P    64_B     P    64_B      4   22   39      3    4    4   14   18   21   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     A    65_B     A    65_B      4   22   39      3    4   11   15   18   20   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     K    66_B     K    66_B     17   20   38      4    9   14   17   18   20   24   26   29   31   33   36   38   39   40   42   43   45   47   48 
LCS_GDT     A    67_B     A    67_B     17   18   37      5   12   16   17   22   25   25   26   27   30   32   34   36   38   38   40   42   45   47   48 
LCS_GDT     E    68_B     E    68_B     17   18   37      5   12   16   18   22   25   25   26   27   30   32   34   36   38   38   40   41   42   43   46 
LCS_GDT     I    69_B     I    69_B     17   18   37      5   14   16   17   22   25   25   26   27   30   32   34   36   38   38   40   43   45   47   48 
LCS_GDT     I    70_B     I    70_B     17   18   37      5   14   16   17   22   25   25   26   27   30   32   34   36   38   38   40   43   45   47   48 
LCS_GDT     D    71_B     D    71_B     17   18   37      5   14   16   18   22   25   25   26   27   30   32   34   36   38   38   40   41   42   43   45 
LCS_GDT     A    72_B     A    72_B     17   18   37      5   14   16   18   22   25   25   26   27   30   32   34   36   38   38   40   41   42   43   45 
LCS_GDT     L    73_B     L    73_B     17   18   37      7   14   16   18   22   25   25   26   27   30   32   34   36   38   38   40   41   45   47   48 
LCS_GDT     R    74_B     R    74_B     17   18   37      9   14   16   18   22   25   25   26   27   30   32   34   36   38   38   40   41   42   43   45 
LCS_GDT     E    75_B     E    75_B     17   18   37      9   14   16   18   22   25   25   26   27   30   32   34   36   38   38   40   41   42   43   45 
LCS_GDT     E    76_B     E    76_B     17   18   37      9   14   16   18   22   25   25   26   27   30   32   34   36   38   38   40   41   42   43   45 
LCS_GDT     A    77_B     A    77_B     17   18   37      9   14   16   18   22   25   25   26   27   30   32   34   36   38   38   40   41   42   43   48 
LCS_GDT     E    78_B     E    78_B     17   18   37      9   14   16   18   22   25   25   26   27   30   32   34   36   38   38   40   41   42   43   45 
LCS_GDT     K    79_B     K    79_B     17   18   37      9   14   16   17   22   25   25   26   27   30   32   34   36   38   38   40   41   42   43   45 
LCS_GDT     Y    80_B     Y    80_B     17   18   37      9   14   16   17   21   25   25   26   27   30   32   34   36   38   38   40   41   42   43   45 
LCS_GDT     F    81_B     F    81_B     17   18   37      9   14   16   18   22   25   25   26   27   30   32   34   36   38   38   40   41   42   43   45 
LCS_GDT     A    82_B     A    82_B     17   18   37      9   14   16   17   22   25   25   26   27   30   32   34   36   38   38   40   41   41   42   45 
LCS_GDT     E    83_B     E    83_B      3   18   37      3    3    3    5    8   11   16   21   24   30   32   33   34   35   36   38   39   40   41   44 
LCS_AVERAGE  LCS_A:  23.96  (  13.49   17.57   40.83 )

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     10     15     18     19     22     25     25     26     29     31     33     36     38     39     40     42     43     45     47     48 
GDT PERCENT_AT  12.35  18.52  22.22  23.46  27.16  30.86  30.86  32.10  35.80  38.27  40.74  44.44  46.91  48.15  49.38  51.85  53.09  55.56  58.02  59.26
GDT RMS_LOCAL    0.32   0.70   0.80   0.97   1.79   1.97   1.97   2.13   2.88   3.06   3.26   3.64   3.90   4.08   4.23   4.80   4.93   5.31   5.71   5.89
GDT RMS_ALL_AT  15.28  15.17  15.13  15.18  15.96  16.00  16.00  16.09  14.98  14.95  14.93  14.88  14.83  14.78  14.78  14.83  14.77  14.72  14.67  14.67

# Checking swapping
#   possible swapping detected:  Y    12_B      Y    12_B
#   possible swapping detected:  D    16_B      D    16_B
#   possible swapping detected:  E    17_B      E    17_B
#   possible swapping detected:  F    24_B      F    24_B
#   possible swapping detected:  E    39_B      E    39_B
#   possible swapping detected:  F    47_B      F    47_B
#   possible swapping detected:  E    49_B      E    49_B
#   possible swapping detected:  E    61_B      E    61_B
#   possible swapping detected:  D    71_B      D    71_B
#   possible swapping detected:  E    75_B      E    75_B
#   possible swapping detected:  E    83_B      E    83_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     3_B      G     3_B    32.273     0    0.407   0.407    34.466    0.000    0.000
LGA    M     4_B      M     4_B    29.811     0    0.202   1.045    36.323    0.000    0.000
LGA    E     5_B      E     5_B    24.066     0    0.606   1.294    27.357    0.000    0.000
LGA    K     6_B      K     6_B    21.061     0    0.602   1.454    24.105    0.000    0.000
LGA    V     7_B      V     7_B    14.932     0    0.167   0.201    17.386    0.000    0.000
LGA    T     8_B      T     8_B    14.541     0    0.059   1.008    15.559    0.000    0.000
LGA    V     9_B      V     9_B    14.833     0    0.072   0.777    18.549    0.000    0.000
LGA    V    10_B      V    10_B    17.298     0    0.057   1.182    18.586    0.000    0.000
LGA    L    11_B      L    11_B    22.510     0    0.076   1.141    27.520    0.000    0.000
LGA    Y    12_B      Y    12_B    27.332     0    0.481   0.668    36.706    0.000    0.000
LGA    V    13_B      V    13_B    29.974     0    0.264   0.441    30.190    0.000    0.000
LGA    N    14_B      N    14_B    30.888     0    0.274   0.789    31.640    0.000    0.000
LGA    G    15_B      G    15_B    29.805     0    0.593   0.593    30.280    0.000    0.000
LGA    D    16_B      D    16_B    30.270     0    0.411   1.378    32.322    0.000    0.000
LGA    E    17_B      E    17_B    28.859     0    0.061   1.202    34.666    0.000    0.000
LGA    V    18_B      V    18_B    23.838     0    0.562   1.221    26.105    0.000    0.000
LGA    A    19_B      A    19_B    20.723     0    0.193   0.199    21.724    0.000    0.000
LGA    L    20_B      L    20_B    18.583     0    0.562   1.356    19.586    0.000    0.000
LGA    V    21_B      V    21_B    19.837     0    0.546   0.531    22.681    0.000    0.000
LGA    H    22_B      H    22_B    15.061     0    0.294   1.551    16.857    0.000    0.000
LGA    A    23_B      A    23_B    10.612     0    0.597   0.583    12.442    0.119    0.095
LGA    F    24_B      F    24_B     9.872     0    0.481   1.161    15.475    2.024    0.736
LGA    M    25_B      M    25_B     7.911     0    0.087   1.237     8.987   14.405   11.726
LGA    T    26_B      T    26_B     1.901     0    0.558   0.931     4.461   65.476   56.054
LGA    T    27_B      T    27_B     1.979     0    0.061   0.150     2.125   72.857   70.544
LGA    A    28_B      A    28_B     2.435     0    0.038   0.058     2.801   64.762   63.238
LGA    S    29_B      S    29_B     1.931     0    0.039   0.691     3.589   72.976   68.016
LGA    L    30_B      L    30_B     1.171     0    0.094   0.773     2.849   81.429   75.238
LGA    L    31_B      L    31_B     2.381     0    0.029   1.015     6.008   66.786   55.298
LGA    A    32_B      A    32_B     1.909     0    0.052   0.051     2.339   77.381   74.857
LGA    K    33_B      K    33_B     1.094     0    0.506   0.931     6.962   77.857   55.344
LGA    E    34_B      E    34_B     2.984     0    0.631   1.171    10.036   67.024   36.508
LGA    G    35_B      G    35_B     4.333     0    0.541   0.541     5.939   36.429   36.429
LGA    K    36_B      K    36_B     5.190     0    0.540   1.466     8.294   20.357   28.042
LGA    L    37_B      L    37_B     9.522     0    0.622   1.018    16.287    4.881    2.440
LGA    V    38_B      V    38_B     6.831     0    0.593   1.347     9.007    7.262   15.850
LGA    E    39_B      E    39_B     8.188     0    0.034   0.865    10.682    3.810    6.984
LGA    K    40_B      K    40_B    11.910     0    0.640   1.077    16.528    0.000    0.000
LGA    L    41_B      L    41_B    10.471     0    0.647   1.057    13.367    0.119    0.060
LGA    I    42_B      I    42_B     8.144     0    0.162   0.301     8.679    9.167    7.321
LGA    L    43_B      L    43_B     7.541     0    0.081   0.770     9.732    7.143    4.881
LGA    T    44_B      T    44_B     8.227     0    0.483   1.265     8.642    7.262    5.918
LGA    S    45_B      S    45_B     8.058     0    0.502   0.793     9.864    3.452    6.746
LGA    N    46_B      N    46_B    14.228     0    0.130   1.051    16.044    0.000    0.000
LGA    F    47_B      F    47_B    15.629     0    0.062   0.578    17.296    0.000    0.000
LGA    T    48_B      T    48_B    20.680     0    0.058   1.270    24.457    0.000    0.000
LGA    E    49_B      E    49_B    22.714     0    0.055   0.777    28.691    0.000    0.000
LGA    R    50_B      R    50_B    25.443     0    0.056   1.221    35.172    0.000    0.000
LGA    T    51_B      T    51_B    21.827     0    0.016   0.968    22.821    0.000    0.000
LGA    V    52_B      V    52_B    18.387     0    0.012   0.618    19.612    0.000    0.000
LGA    R    53_B      R    53_B    22.681     0    0.028   1.192    24.723    0.000    0.000
LGA    R    54_B      R    54_B    24.326     0    0.047   1.204    30.816    0.000    0.000
LGA    A    55_B      A    55_B    19.235     0    0.018   0.019    20.822    0.000    0.000
LGA    F    56_B      F    56_B    18.192     0    0.097   0.386    19.803    0.000    0.000
LGA    D    57_B      D    57_B    23.620     0    0.024   0.630    27.408    0.000    0.000
LGA    L    58_B      L    58_B    23.177     0    0.079   1.181    27.524    0.000    0.000
LGA    V    59_B      V    59_B    17.897     0    0.738   0.624    19.483    0.000    0.000
LGA    R    60_B      R    60_B    19.717     0    0.157   1.211    26.081    0.000    0.000
LGA    E    61_B      E    61_B    24.249     0    0.040   0.913    30.230    0.000    0.000
LGA    L    62_B      L    62_B    22.126     0    0.072   1.268    25.047    0.000    0.000
LGA    L    63_B      L    63_B    17.620     0    0.558   0.777    19.365    0.000    0.000
LGA    P    64_B      P    64_B    14.439     0    0.109   0.203    18.873    0.000    0.000
LGA    A    65_B      A    65_B     9.996     0    0.366   0.394    11.986    5.238    4.190
LGA    K    66_B      K    66_B     5.410     0    0.376   1.613     9.735   32.381   22.910
LGA    A    67_B      A    67_B     2.377     0    0.046   0.088     3.231   73.929   70.571
LGA    E    68_B      E    68_B     1.749     0    0.052   0.952     6.114   75.000   52.011
LGA    I    69_B      I    69_B     2.659     0    0.038   0.183     5.700   66.905   50.119
LGA    I    70_B      I    70_B     2.245     0    0.017   0.669     3.912   72.976   58.988
LGA    D    71_B      D    71_B     1.410     0    0.037   0.450     3.414   81.429   68.452
LGA    A    72_B      A    72_B     1.698     0    0.082   0.096     2.670   81.548   76.667
LGA    L    73_B      L    73_B     1.704     0    0.073   0.911     2.499   77.143   72.976
LGA    R    74_B      R    74_B     2.117     0    0.026   0.636     7.836   70.952   41.602
LGA    E    75_B      E    75_B     1.534     0    0.041   0.398     3.423   79.286   67.037
LGA    E    76_B      E    76_B     1.603     0    0.072   0.210     4.365   75.238   60.741
LGA    A    77_B      A    77_B     2.310     0    0.016   0.031     3.163   68.810   65.048
LGA    E    78_B      E    78_B     1.656     0    0.038   0.492     5.780   79.286   55.926
LGA    K    79_B      K    79_B     1.643     0    0.016   1.080     5.539   75.238   56.032
LGA    Y    80_B      Y    80_B     2.787     0    0.074   0.276     9.783   62.976   31.508
LGA    F    81_B      F    81_B     1.640     0    0.455   0.390     6.431   75.238   48.874
LGA    A    82_B      A    82_B     1.461     0    0.122   0.120     5.397   60.357   61.238
LGA    E    83_B      E    83_B     6.528     0    0.383   1.465     9.801   12.024   28.519

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       81     324    324  100.00     640    640  100.00                81
SUMMARY(RMSD_GDC):    13.299         13.212                 13.887           24.555   20.688

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   83   81    4.0     26    2.13    31.481    29.004     1.165

LGA_LOCAL      RMSD:   2.131  Number of atoms:   26  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.092  Number of assigned atoms:   81 
Std_ASGN_ATOMS RMSD:  13.299  Standard rmsd on all 81 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.593563 * X  +  -0.571882 * Y  +   0.566245 * Z  + -12.093023
  Y_new =  -0.727447 * X  +   0.080292 * Y  +  -0.681450 * Z  + -39.770763
  Z_new =   0.344244 * X  +  -0.816397 * Y  +  -0.463672 * Z  + -16.466879 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.255190 -0.351433 -2.087315   [DEG: -129.2129  -20.1356 -119.5944 ]
ZXZ:  0.693325  2.052931  2.742553   [DEG:   39.7246  117.6243  157.1367 ]
 
# END of job
