
#######################################################
#                                                     #
#                        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   95 (  841),  selected   76 , name one
# Molecule2: number of CA atoms   76 (  680),  selected   76 , 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:    50       9_B - 58_B        4.37    16.41
  LCS_AVERAGE:     56.23

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      30_B - 58_B        1.94    14.51
  LCS_AVERAGE:     31.13

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      34_B - 58_B        0.75    14.70
  LCS_AVERAGE:     26.94

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   76
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     S     9_B     S     9_B      3    3   50      0    3    4    4    5    9   12   12   18   24   25   28   28   30   39   41   44   46   47   49 
LCS_GDT     P    10_B     P    10_B      3   25   50      3    3    4    4    6    9   17   22   24   27   28   37   42   42   44   44   46   48   48   49 
LCS_GDT     K    11_B     K    11_B     23   25   50     12   21   24   26   26   31   34   37   39   43   44   46   48   48   48   48   48   48   48   49 
LCS_GDT     E    12_B     E    12_B     23   25   50     13   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     E    13_B     E    13_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     K    14_B     K    14_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     F    15_B     F    15_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     K    16_B     K    16_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     K    17_B     K    17_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     K    18_B     K    18_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     L    19_B     L    19_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     E    20_B     E    20_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     E    21_B     E    21_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     E    22_B     E    22_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     L    23_B     L    23_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     K    24_B     K    24_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     K    25_B     K    25_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     I    26_B     I    26_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     R    27_B     R    27_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     E    28_B     E    28_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     R    29_B     R    29_B     23   25   50     17   21   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     L    30_B     L    30_B     23   29   50      7   21   24   26   26   31   32   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     L    31_B     L    31_B     23   29   50     12   20   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     M    32_B     M    32_B     23   29   50     11   20   24   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     V    33_B     V    33_B     23   29   50      4    4   19   26   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     F    34_B     F    34_B     25   29   50      6   14   24   25   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     D    35_B     D    35_B     25   29   50     11   20   24   25   26   29   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     E    36_B     E    36_B     25   29   50     15   23   24   25   26   28   31   34   38   42   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     E    37_B     E    37_B     25   29   50     16   23   24   25   26   28   31   34   38   41   44   47   48   48   48   48   48   48   48   49 
LCS_GDT     R    38_B     R    38_B     25   29   50     13   23   24   25   26   29   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     V    39_B     V    39_B     25   29   50     15   23   24   25   26   30   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     E    40_B     E    40_B     25   29   50     16   23   24   25   26   29   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     E    41_B     E    41_B     25   29   50     16   23   24   25   26   29   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     Y    42_B     Y    42_B     25   29   50     16   23   24   25   26   30   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     M    43_B     M    43_B     25   29   50     16   23   24   25   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     K    44_B     K    44_B     25   29   50     16   23   24   25   26   30   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     I    45_B     I    45_B     25   29   50     16   23   24   25   26   28   31   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     M    46_B     M    46_B     25   29   50     16   23   24   25   26   31   32   34   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     K    47_B     K    47_B     25   29   50     16   23   24   25   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     E    48_B     E    48_B     25   29   50     16   23   24   25   26   30   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     V    49_B     V    49_B     25   29   50     16   23   24   25   26   28   31   34   38   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     I    50_B     I    50_B     25   29   50     16   23   24   26   26   31   32   34   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     E    51_B     E    51_B     25   29   50     16   23   24   25   26   31   34   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     K    52_B     K    52_B     25   29   50     16   23   24   25   26   28   31   34   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     I    53_B     I    53_B     25   29   50     12   23   24   25   26   28   31   34   38   41   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     L    54_B     L    54_B     25   29   50     11   23   24   26   26   31   32   34   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     E    55_B     E    55_B     25   29   50     14   23   24   25   26   31   33   37   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     N    56_B     N    56_B     25   29   50     14   23   24   25   26   28   31   34   38   41   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     R    57_B     R    57_B     25   29   50     16   23   24   25   26   28   31   34   38   41   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     K    58_B     K    58_B     25   29   50     16   23   24   26   26   31   32   34   39   43   45   47   48   48   48   48   48   48   48   49 
LCS_GDT     K    64_B     K    64_B      5    8   49      4    4    6    7    8    9   10   11   15   18   22   26   27   29   31   35   37   41   43   44 
LCS_GDT     V    65_B     V    65_B      5    8   35      4    4    6    7    8    9   10   12   15   20   23   26   27   29   31   35   37   38   40   44 
LCS_GDT     E    66_B     E    66_B      5    9   28      4    4    6    7    8    9   12   15   20   23   25   29   33   34   36   38   38   38   40   42 
LCS_GDT     I    67_B     I    67_B      5    9   28      4    4    6    7    9   12   18   21   24   28   30   33   33   34   36   38   38   38   40   42 
LCS_GDT     P    68_B     P    68_B      5    9   28      3    4    6    7    9   12   17   21   24   28   30   33   33   34   36   38   38   38   40   42 
LCS_GDT     P    69_B     P    69_B      5   11   28      3    4    6    6    8   10   13   19   24   28   30   33   33   34   36   38   38   38   40   42 
LCS_GDT     G    70_B     G    70_B      5   20   28      3    4    6    6   12   21   22   23   24   28   30   33   33   34   36   38   38   38   40   42 
LCS_GDT     M    71_B     M    71_B     19   20   28      7   12   19   21   22   22   22   23   24   28   30   33   33   34   36   38   38   38   40   42 
LCS_GDT     E    72_B     E    72_B     19   20   28      8   18   19   21   22   22   22   23   24   28   30   33   33   34   36   38   38   38   40   42 
LCS_GDT     W    73_B     W    73_B     19   20   28      8   18   19   21   22   22   22   23   24   28   30   33   33   34   36   38   38   39   41   44 
LCS_GDT     F    74_B     F    74_B     19   20   28      7   18   19   21   22   22   22   23   24   28   30   33   33   34   36   38   38   41   43   44 
LCS_GDT     Y    75_B     Y    75_B     19   20   28      9   18   19   21   22   22   22   23   28   29   30   33   33   34   36   38   38   41   43   44 
LCS_GDT     E    76_B     E    76_B     19   20   28     10   18   19   21   22   22   22   23   28   29   30   33   33   34   36   38   38   41   43   44 
LCS_GDT     N    77_B     N    77_B     19   20   28     10   18   19   21   26   26   27   27   28   29   30   33   33   34   36   38   38   41   43   44 
LCS_GDT     F    78_B     F    78_B     19   20   28     10   18   24   24   26   26   27   28   28   29   30   33   33   34   36   38   38   41   43   44 
LCS_GDT     L    79_B     L    79_B     19   20   28     10   18   19   21   22   22   22   23   24   28   30   33   33   34   36   38   38   41   43   44 
LCS_GDT     R    80_B     R    80_B     19   20   28     10   18   19   21   22   22   22   23   24   28   30   33   33   34   36   38   38   41   43   44 
LCS_GDT     Y    81_B     Y    81_B     19   20   28     10   18   19   21   22   22   22   23   24   28   30   33   33   34   36   38   38   41   43   44 
LCS_GDT     Y    82_B     Y    82_B     19   20   28     10   18   19   21   22   22   22   23   24   28   30   33   33   34   36   38   38   38   40   44 
LCS_GDT     D    83_B     D    83_B     19   20   28     10   18   19   21   22   22   22   23   24   28   30   33   33   34   36   38   38   38   40   42 
LCS_GDT     Y    84_B     Y    84_B     19   20   28     10   18   19   21   22   22   22   23   24   28   30   33   33   34   36   38   38   38   40   42 
LCS_GDT     E    85_B     E    85_B     19   20   28     10   18   19   21   22   22   22   23   24   28   30   33   33   34   36   38   38   38   40   42 
LCS_GDT     E    86_B     E    86_B     19   20   26      9   18   19   21   22   22   22   23   24   28   30   33   33   34   36   38   38   38   40   42 
LCS_GDT     E    87_B     E    87_B     19   20   26      9   18   19   21   22   22   22   23   24   28   30   33   33   34   36   38   38   38   40   42 
LCS_GDT     K    88_B     K    88_B     19   20   26     10   18   19   21   22   22   22   23   24   28   30   33   33   34   36   38   38   38   40   42 
LCS_GDT     L    89_B     L    89_B     19   20   26      9   18   19   21   22   22   22   23   24   28   30   33   33   34   36   38   38   38   40   42 
LCS_AVERAGE  LCS_A:  38.10  (  26.94   31.13   56.23 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     17     23     24     26     26     31     34     37     39     43     45     47     48     48     48     48     48     48     48     49 
GDT PERCENT_AT  22.37  30.26  31.58  34.21  34.21  40.79  44.74  48.68  51.32  56.58  59.21  61.84  63.16  63.16  63.16  63.16  63.16  63.16  63.16  64.47
GDT RMS_LOCAL    0.32   0.53   0.62   0.96   0.96   1.83   2.40   2.55   2.77   3.10   3.44   3.61   3.66   3.66   3.66   3.66   3.66   3.66   3.66   4.00
GDT RMS_ALL_AT  15.07  14.83  14.78  15.31  15.31  15.99  17.09  16.97  16.42  16.35  16.03  15.95  16.04  16.04  16.04  16.04  16.04  16.04  16.04  16.22

# Checking swapping
#   possible swapping detected:  E    21_B      E    21_B
#   possible swapping detected:  E    22_B      E    22_B
#   possible swapping detected:  F    34_B      F    34_B
#   possible swapping detected:  D    35_B      D    35_B
#   possible swapping detected:  E    36_B      E    36_B
#   possible swapping detected:  Y    42_B      Y    42_B
#   possible swapping detected:  E    55_B      E    55_B
#   possible swapping detected:  F    74_B      F    74_B
#   possible swapping detected:  Y    75_B      Y    75_B
#   possible swapping detected:  D    83_B      D    83_B
#   possible swapping detected:  E    85_B      E    85_B
#   possible swapping detected:  E    86_B      E    86_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S     9_B      S     9_B    11.651     0    0.210   0.698    14.338    0.000    0.000
LGA    P    10_B      P    10_B     9.160     0    0.650   0.579    10.648    7.143    4.082
LGA    K    11_B      K    11_B     2.141     0    0.599   0.742     5.014   64.762   53.492
LGA    E    12_B      E    12_B     0.965     0    0.042   0.225     4.432   85.952   66.561
LGA    E    13_B      E    13_B     2.318     0    0.037   1.112     7.838   70.833   44.550
LGA    K    14_B      K    14_B     2.184     0    0.039   1.314     3.024   72.976   67.725
LGA    F    15_B      F    15_B     1.460     0    0.043   0.362     3.771   81.429   64.805
LGA    K    16_B      K    16_B     1.716     0    0.071   1.244    10.502   81.548   46.349
LGA    K    17_B      K    17_B     2.144     0    0.051   1.045     3.269   70.952   67.090
LGA    K    18_B      K    18_B     2.758     0    0.049   1.055     4.122   62.857   54.392
LGA    L    19_B      L    19_B     2.119     0    0.048   1.476     6.413   72.976   61.131
LGA    E    20_B      E    20_B     1.327     0    0.036   0.939     4.127   88.214   67.196
LGA    E    21_B      E    21_B     1.969     0    0.041   0.877     7.456   75.000   45.344
LGA    E    22_B      E    22_B     2.655     0    0.042   1.330     9.756   62.857   37.090
LGA    L    23_B      L    23_B     2.035     0    0.048   0.080     4.055   72.976   59.167
LGA    K    24_B      K    24_B     0.963     0    0.027   0.174     5.009   90.476   67.249
LGA    K    25_B      K    25_B     1.863     0    0.044   0.690     6.028   75.000   50.794
LGA    I    26_B      I    26_B     2.573     0    0.035   0.168     5.340   64.881   50.417
LGA    R    27_B      R    27_B     2.312     0    0.040   1.176     8.570   68.810   43.290
LGA    E    28_B      E    28_B     1.027     0    0.047   1.368     6.331   90.595   61.481
LGA    R    29_B      R    29_B     2.209     0    0.066   0.981     7.887   67.024   41.905
LGA    L    30_B      L    30_B     3.830     0    0.085   0.904     9.420   48.452   29.167
LGA    L    31_B      L    31_B     2.875     0    0.201   0.939     6.483   65.000   45.714
LGA    M    32_B      M    32_B     0.803     0    0.178   0.844     5.710   81.548   62.560
LGA    V    33_B      V    33_B     2.756     0    0.610   0.951     6.767   55.952   42.925
LGA    F    34_B      F    34_B     1.797     0    0.159   1.251    10.513   66.310   30.952
LGA    D    35_B      D    35_B     3.675     0    0.111   0.995     9.196   54.167   34.524
LGA    E    36_B      E    36_B     6.080     0    0.052   1.047    12.481   22.738   11.429
LGA    E    37_B      E    37_B     6.742     0    0.060   0.704    10.646   20.714   10.317
LGA    R    38_B      R    38_B     3.703     0    0.041   0.660     9.802   52.500   32.294
LGA    V    39_B      V    39_B     1.703     0    0.056   0.090     4.458   70.833   60.068
LGA    E    40_B      E    40_B     4.179     0    0.044   0.857     8.968   46.786   26.032
LGA    E    41_B      E    41_B     4.219     0    0.030   0.103     9.289   45.119   25.132
LGA    Y    42_B      Y    42_B     2.671     0    0.036   1.335     6.542   62.976   44.048
LGA    M    43_B      M    43_B     2.358     0    0.033   1.140    10.093   70.952   43.929
LGA    K    44_B      K    44_B     2.226     0    0.040   0.697     9.542   70.833   38.254
LGA    I    45_B      I    45_B     3.967     0    0.041   0.958     9.169   45.238   27.619
LGA    M    46_B      M    46_B     4.687     0    0.034   1.004     8.888   35.833   24.345
LGA    K    47_B      K    47_B     2.817     0    0.032   0.790    10.893   62.976   38.095
LGA    E    48_B      E    48_B     2.183     0    0.038   1.134     4.778   61.548   48.042
LGA    V    49_B      V    49_B     6.085     0    0.042   0.074     9.483   22.262   14.966
LGA    I    50_B      I    50_B     6.199     0    0.033   0.136     8.303   20.476   14.643
LGA    E    51_B      E    51_B     2.437     0    0.058   0.227     4.716   55.476   56.508
LGA    K    52_B      K    52_B     5.572     0    0.048   0.889    13.302   21.310   10.741
LGA    I    53_B      I    53_B     9.220     0    0.031   0.248    12.547    3.214    1.607
LGA    L    54_B      L    54_B     7.354     0    0.052   0.941    11.319   14.643   10.179
LGA    E    55_B      E    55_B     3.437     0    0.058   1.088     5.324   34.881   38.730
LGA    N    56_B      N    56_B     8.519     0    0.051   1.121    13.902    4.524    2.262
LGA    R    57_B      R    57_B    10.507     0    0.540   1.420    16.349    0.476    0.173
LGA    K    58_B      K    58_B     7.198     0    0.574   0.978     9.410    5.357   11.799
LGA    K    64_B      K    64_B    26.215     0    0.586   1.270    35.069    0.000    0.000
LGA    V    65_B      V    65_B    27.302     0    0.071   1.146    28.648    0.000    0.000
LGA    E    66_B      E    66_B    31.258     0    0.102   0.097    36.939    0.000    0.000
LGA    I    67_B      I    67_B    30.358     0    0.188   1.109    33.672    0.000    0.000
LGA    P    68_B      P    68_B    34.451     0    0.107   0.209    34.750    0.000    0.000
LGA    P    69_B      P    69_B    37.153     0    0.640   0.534    39.802    0.000    0.000
LGA    G    70_B      G    70_B    35.074     0    0.243   0.243    36.334    0.000    0.000
LGA    M    71_B      M    71_B    29.135     0    0.259   0.736    31.659    0.000    0.000
LGA    E    72_B      E    72_B    30.415     0    0.068   1.168    35.953    0.000    0.000
LGA    W    73_B      W    73_B    30.592     0    0.041   1.333    31.963    0.000    0.000
LGA    F    74_B      F    74_B    23.344     0    0.111   1.453    26.130    0.000    0.000
LGA    Y    75_B      Y    75_B    21.628     0    0.029   1.373    22.910    0.000    0.000
LGA    E    76_B      E    76_B    27.095     0    0.035   1.348    34.681    0.000    0.000
LGA    N    77_B      N    77_B    24.314     0    0.054   0.956    25.831    0.000    0.000
LGA    F    78_B      F    78_B    17.794     0    0.050   1.357    20.061    0.000    0.000
LGA    L    79_B      L    79_B    22.303     0    0.031   0.141    25.130    0.000    0.000
LGA    R    80_B      R    80_B    26.542     0    0.040   0.792    35.539    0.000    0.000
LGA    Y    81_B      Y    81_B    20.660     0    0.037   0.287    22.374    0.000    0.000
LGA    Y    82_B      Y    82_B    20.062     0    0.035   1.335    23.765    0.000    0.000
LGA    D    83_B      D    83_B    27.590     0    0.026   1.104    29.996    0.000    0.000
LGA    Y    84_B      Y    84_B    28.055     0    0.050   1.221    29.614    0.000    0.000
LGA    E    85_B      E    85_B    24.189     0    0.040   0.830    27.276    0.000    0.000
LGA    E    86_B      E    86_B    28.778     0    0.029   1.300    33.041    0.000    0.000
LGA    E    87_B      E    87_B    34.824     0    0.088   0.304    38.662    0.000    0.000
LGA    K    88_B      K    88_B    32.588     0    0.039   0.707    34.870    0.000    0.000
LGA    L    89_B      L    89_B    32.754     0    0.145   0.188    37.043    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       76     304    304  100.00     680    680  100.00                76
SUMMARY(RMSD_GDC):    13.457         13.349                 14.196           34.873   24.884

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   95   76    4.0     37    2.55    44.079    42.016     1.397

LGA_LOCAL      RMSD:   2.548  Number of atoms:   37  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.967  Number of assigned atoms:   76 
Std_ASGN_ATOMS RMSD:  13.457  Standard rmsd on all 76 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.990487 * X  +   0.131566 * Y  +   0.040332 * Z  +  -5.980894
  Y_new =   0.049104 * X  +  -0.611712 * Y  +   0.789555 * Z  + -55.866287
  Z_new =   0.128550 * X  +  -0.780063 * Y  +  -0.612353 * Z  +  53.995029 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.049535 -0.128907 -2.236327   [DEG:    2.8382   -7.3858 -128.1321 ]
ZXZ:  3.090556  2.229830  2.978266   [DEG:  177.0758  127.7599  170.6421 ]
 
# END of job
