
#######################################################
#                                                     #
#                        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  100 (  812),  selected   78 , name one
# Molecule2: number of CA atoms   78 (  613),  selected   78 , 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:    78      21_A - 98_A        4.70     4.70
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      25_A - 98_A        1.71     5.07
  LCS_AVERAGE:     90.40

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      28_A - 60_A        0.99     5.26
  LCS_AVERAGE:     29.72

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   78
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     F    21_A     F    21_A      4    6   78      3    4    6    6    7    7    8    9   10   12   12   14   18   18   20   22   23   25   26   31 
LCS_GDT     Q    22_A     Q    22_A      4    6   78      3    4    6    6    7    7    8    9   10   12   14   14   18   18   20   22   23   25   26   40 
LCS_GDT     G    23_A     G    23_A      4    6   78      3    4    6    6    7    7    8    9   10   12   14   14   18   24   26   47   51   59   67   76 
LCS_GDT     Q    24_A     Q    24_A      4    6   78      3    4    6    6    7    7    8   16   28   43   59   71   74   74   75   75   75   75   75   76 
LCS_GDT     Q    25_A     Q    25_A      3   74   78      3    8   14   27   57   66   71   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     D    26_A     D    26_A     32   74   78     14   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     K    27_A     K    27_A     32   74   78     12   32   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     L    28_A     L    28_A     33   74   78     11   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     V    29_A     V    29_A     33   74   78     14   32   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     L    30_A     L    30_A     33   74   78     12   33   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     R    31_A     R    31_A     33   74   78     12   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     V    32_A     V    32_A     33   74   78     19   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     D    33_A     D    33_A     33   74   78     19   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     G    34_A     G    34_A     33   74   78      7   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     I    35_A     I    35_A     33   74   78      7   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     L    36_A     L    36_A     33   74   78     19   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     N    37_A     N    37_A     33   74   78     19   34   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     E    38_A     E    38_A     33   74   78     19   29   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     L    39_A     L    39_A     33   74   78     19   32   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     D    40_A     D    40_A     33   74   78     19   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     A    41_A     A    41_A     33   74   78     19   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     Q    42_A     Q    42_A     33   74   78     19   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     V    43_A     V    43_A     33   74   78     19   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     L    44_A     L    44_A     33   74   78     19   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     E    45_A     E    45_A     33   74   78     19   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     G    46_A     G    46_A     33   74   78     19   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     I    47_A     I    47_A     33   74   78     19   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     L    48_A     L    48_A     33   74   78     19   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     T    49_A     T    49_A     33   74   78     19   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     R    50_A     R    50_A     33   74   78     19   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     L    51_A     L    51_A     33   74   78     16   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     N    52_A     N    52_A     33   74   78     12   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     G    53_A     G    53_A     33   74   78     12   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     V    54_A     V    54_A     33   74   78     14   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     R    55_A     R    55_A     33   74   78     14   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     Q    56_A     Q    56_A     33   74   78     12   32   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     F    57_A     F    57_A     33   74   78     10   29   42   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     R    58_A     R    58_A     33   74   78     12   31   47   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     L    59_A     L    59_A     33   74   78     14   32   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     D    60_A     D    60_A     33   74   78      9   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     R    61_A     R    61_A     32   74   78      6   19   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     I    62_A     I    62_A     13   74   78      4   14   38   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     S    63_A     S    63_A     13   74   78      4   10   44   64   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     G    64_A     G    64_A     16   74   78      4   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     E    65_A     E    65_A     19   74   78      4   32   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     L    66_A     L    66_A     21   74   78     12   32   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     E    67_A     E    67_A     21   74   78     14   32   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     V    68_A     V    68_A     21   74   78     14   34   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     V    69_A     V    69_A     21   74   78     14   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     F    70_A     F    70_A     21   74   78     14   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     D    71_A     D    71_A     21   74   78     14   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     P    72_A     P    72_A     21   74   78     14   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     E    73_A     E    73_A     21   74   78     11   27   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     V    74_A     V    74_A     21   74   78     11   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     V    75_A     V    75_A     21   74   78     11   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     S    76_A     S    76_A     21   74   78     11   26   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     S    77_A     S    77_A     21   74   78      9   21   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     R    78_A     R    78_A     21   74   78      9   21   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     S    79_A     S    79_A     21   74   78      9   21   54   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     L    80_A     L    80_A     21   74   78      9   21   52   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     V    81_A     V    81_A     21   74   78      9   21   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     D    82_A     D    82_A     21   74   78      9   21   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     G    83_A     G    83_A     21   74   78      9   17   48   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     I    84_A     I    84_A     21   74   78      9   12   48   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     E    85_A     E    85_A     21   74   78      9   20   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     E    86_A     E    86_A     21   74   78      9   21   54   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     D    87_A     D    87_A     21   74   78      9   12   32   63   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     G    88_A     G    88_A     17   74   78      3    8   18   45   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     F    89_A     F    89_A      4   74   78      3    4    5   23   33   57   72   72   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     G    90_A     G    90_A      4   74   78      3    4   13   46   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     K    91_A     K    91_A      7   74   78      3   23   40   56   66   70   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     F    92_A     F    92_A      7   74   78     19   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     K    93_A     K    93_A      7   74   78     19   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     L    94_A     L    94_A      7   74   78     14   35   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     R    95_A     R    95_A      7   74   78      4   31   50   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     V    96_A     V    96_A      7   74   78      6   32   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     M    97_A     M    97_A      7   74   78      3   29   56   65   70   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_GDT     S    98_A     S    98_A      7   74   78      0    3   14   31   68   71   72   73   74   74   74   74   74   74   75   75   75   75   75   76 
LCS_AVERAGE  LCS_A:  73.37  (  29.72   90.40  100.00 )

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     19     35     56     65     70     71     72     73     74     74     74     74     74     74     75     75     75     75     75     76 
GDT PERCENT_AT  24.36  44.87  71.79  83.33  89.74  91.03  92.31  93.59  94.87  94.87  94.87  94.87  94.87  94.87  96.15  96.15  96.15  96.15  96.15  97.44
GDT RMS_LOCAL    0.28   0.76   1.06   1.23   1.42   1.45   1.49   1.61   1.71   1.71   1.71   1.71   1.71   1.71   2.19   2.19   2.19   2.19   2.19   2.94
GDT RMS_ALL_AT   5.51   5.13   5.09   5.09   5.11   5.12   5.12   5.06   5.07   5.07   5.07   5.07   5.07   5.07   4.96   4.96   4.96   4.96   4.96   4.85

# Checking swapping
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  E    86_A      E    86_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    F    21_A      F    21_A    28.215     0    0.518   1.552    30.182    0.000    0.000
LGA    Q    22_A      Q    22_A    22.566     4    0.347   0.422    24.244    0.000    0.000
LGA    G    23_A      G    23_A    18.068     0    0.053   0.053    19.425    0.000    0.000
LGA    Q    24_A      Q    24_A    12.239     0    0.107   0.988    16.233    0.119    0.053
LGA    Q    25_A      Q    25_A     5.289     0    0.327   0.852     7.561   31.667   31.058
LGA    D    26_A      D    26_A     1.040     0    0.422   0.578     3.826   81.786   69.643
LGA    K    27_A      K    27_A     1.328     0    0.048   0.791     4.763   77.262   66.296
LGA    L    28_A      L    28_A     0.987     0    0.112   1.260     3.746   92.857   80.238
LGA    V    29_A      V    29_A     0.943     0    0.057   1.096     3.649   90.476   82.449
LGA    L    30_A      L    30_A     0.958     0    0.052   0.215     1.366   85.952   85.952
LGA    R    31_A      R    31_A     0.925     0    0.076   1.156     7.192   88.214   64.329
LGA    V    32_A      V    32_A     0.910     0    0.067   0.089     1.390   90.476   86.599
LGA    D    33_A      D    33_A     0.866     0    0.033   0.797     2.757   90.476   82.976
LGA    G    34_A      G    34_A     1.176     0    0.060   0.060     1.176   81.429   81.429
LGA    I    35_A      I    35_A     1.124     0    0.021   0.130     1.501   85.952   82.619
LGA    L    36_A      L    36_A     0.833     0    0.126   0.990     2.371   83.810   81.726
LGA    N    37_A      N    37_A     1.412     0    0.041   1.109     4.174   77.143   67.738
LGA    E    38_A      E    38_A     1.624     0    0.055   1.315     3.406   72.857   69.524
LGA    L    39_A      L    39_A     1.345     0    0.037   1.073     4.799   81.429   68.214
LGA    D    40_A      D    40_A     1.209     0    0.035   0.122     1.459   81.429   81.429
LGA    A    41_A      A    41_A     1.260     0    0.033   0.046     1.355   81.429   81.429
LGA    Q    42_A      Q    42_A     1.232     0    0.041   1.041     3.075   81.429   76.085
LGA    V    43_A      V    43_A     1.088     0    0.070   0.969     3.153   81.429   75.714
LGA    L    44_A      L    44_A     0.934     0    0.044   0.293     1.305   83.690   85.952
LGA    E    45_A      E    45_A     1.307     0    0.054   0.541     3.014   81.429   70.688
LGA    G    46_A      G    46_A     1.040     0    0.034   0.034     1.145   85.952   85.952
LGA    I    47_A      I    47_A     0.727     0    0.029   1.305     4.182   90.476   78.512
LGA    L    48_A      L    48_A     1.386     0    0.030   0.172     1.911   79.286   77.143
LGA    T    49_A      T    49_A     1.529     0    0.058   1.129     2.877   75.000   69.592
LGA    R    50_A      R    50_A     1.154     0    0.175   1.005     6.656   81.429   52.251
LGA    L    51_A      L    51_A     1.304     0    0.044   1.308     3.124   85.952   77.738
LGA    N    52_A      N    52_A     1.033     0    0.046   0.216     1.993   81.429   80.357
LGA    G    53_A      G    53_A     0.905     0    0.051   0.051     0.905   90.476   90.476
LGA    V    54_A      V    54_A     0.612     0    0.028   1.078     2.717   95.238   84.762
LGA    R    55_A      R    55_A     0.609     0    0.056   1.388     7.961   88.214   59.697
LGA    Q    56_A      Q    56_A     1.330     0    0.052   0.529     3.831   85.952   67.778
LGA    F    57_A      F    57_A     2.128     0    0.116   1.324     5.587   64.881   54.069
LGA    R    58_A      R    58_A     2.134     0    0.024   1.327     7.758   70.952   46.450
LGA    L    59_A      L    59_A     1.451     0    0.027   1.186     2.725   79.286   75.238
LGA    D    60_A      D    60_A     0.879     0    0.020   0.957     4.793   88.214   69.881
LGA    R    61_A      R    61_A     1.543     0    0.084   2.028    12.734   73.333   37.965
LGA    I    62_A      I    62_A     2.262     0    0.025   1.466     5.973   64.881   50.833
LGA    S    63_A      S    63_A     2.405     0    0.081   0.671     2.756   68.810   66.190
LGA    G    64_A      G    64_A     1.110     0    0.159   0.159     1.489   83.690   83.690
LGA    E    65_A      E    65_A     1.294     0    0.103   0.199     2.803   83.690   73.228
LGA    L    66_A      L    66_A     1.387     0    0.043   1.051     4.233   81.429   71.726
LGA    E    67_A      E    67_A     1.178     0    0.031   0.591     2.743   81.429   76.825
LGA    V    68_A      V    68_A     0.716     0    0.022   0.045     0.836   90.476   90.476
LGA    V    69_A      V    69_A     0.636     0    0.023   0.112     1.270   95.238   91.905
LGA    F    70_A      F    70_A     0.534     0    0.054   0.079     0.880   95.238   92.208
LGA    D    71_A      D    71_A     0.857     0    0.064   0.930     2.853   90.476   84.048
LGA    P    72_A      P    72_A     1.109     0    0.088   0.088     1.286   83.690   85.306
LGA    E    73_A      E    73_A     1.315     0    0.176   0.717     2.344   75.119   74.868
LGA    V    74_A      V    74_A     0.943     0    0.059   0.099     1.193   88.214   87.891
LGA    V    75_A      V    75_A     0.677     0    0.080   0.104     0.779   90.476   90.476
LGA    S    76_A      S    76_A     1.173     0    0.067   0.097     1.193   83.690   84.444
LGA    S    77_A      S    77_A     1.293     0    0.051   0.125     1.895   81.429   78.571
LGA    R    78_A      R    78_A     1.431     0    0.088   1.080     3.943   81.429   64.892
LGA    S    79_A      S    79_A     1.621     0    0.058   0.084     2.073   72.857   71.508
LGA    L    80_A      L    80_A     1.773     0    0.044   0.123     2.682   72.857   68.869
LGA    V    81_A      V    81_A     1.263     0    0.027   0.978     3.714   81.429   73.605
LGA    D    82_A      D    82_A     1.316     0    0.051   0.913     5.158   77.143   60.298
LGA    G    83_A      G    83_A     2.002     0    0.035   0.035     2.096   68.810   68.810
LGA    I    84_A      I    84_A     1.899     0    0.044   0.986     4.380   72.857   60.952
LGA    E    85_A      E    85_A     1.106     0    0.041   0.100     2.515   81.429   75.926
LGA    E    86_A      E    86_A     1.883     0    0.058   0.644     4.232   68.810   54.974
LGA    D    87_A      D    87_A     2.793     0    0.642   1.295     6.970   55.357   41.012
LGA    G    88_A      G    88_A     3.507     0    0.727   0.727     3.518   50.357   50.357
LGA    F    89_A      F    89_A     5.285     0    0.463   1.396     9.610   31.667   17.273
LGA    G    90_A      G    90_A     3.349     0    0.740   0.740     4.153   47.262   47.262
LGA    K    91_A      K    91_A     3.247     0    0.664   1.481    11.142   63.333   31.270
LGA    F    92_A      F    92_A     0.942     0    0.140   0.237     2.190   88.214   80.130
LGA    K    93_A      K    93_A     0.781     0    0.037   0.810     4.249   90.476   68.201
LGA    L    94_A      L    94_A     0.381     0    0.033   1.072     3.477   86.190   76.845
LGA    R    95_A      R    95_A     1.689     0    0.118   1.396    10.340   79.286   45.455
LGA    V    96_A      V    96_A     1.203     0    0.043   0.097     1.533   81.429   78.980
LGA    M    97_A      M    97_A     1.272     0    0.593   1.243     2.004   77.262   78.274
LGA    S    98_A      S    98_A     2.936     1    0.627   0.596     5.579   43.214   34.048

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       78     312    312  100.00     613    613  100.00                78
SUMMARY(RMSD_GDC):     4.702          4.626                  5.235           74.724   66.816

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  100   78    4.0     73    1.61    79.487    86.574     4.263

LGA_LOCAL      RMSD:   1.612  Number of atoms:   73  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.063  Number of assigned atoms:   78 
Std_ASGN_ATOMS RMSD:   4.702  Standard rmsd on all 78 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.475379 * X  +   0.382195 * Y  +  -0.792428 * Z  +  13.938463
  Y_new =   0.525360 * X  +  -0.599168 * Y  +  -0.604148 * Z  + -21.384384
  Z_new =  -0.705699 * X  +  -0.703509 * Y  +   0.084042 * Z  + -12.417621 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.306293  0.783410 -1.451898   [DEG:  132.1408   44.8861  -83.1876 ]
ZXZ: -0.919405  1.486655 -2.354640   [DEG:  -52.6780   85.1790 -134.9109 ]
 
# END of job
