
#######################################################
#                                                     #
#                        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        2.88     2.88
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76      23_A - 98_A        1.77     3.01
  LCS_AVERAGE:     95.10

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    51      25_A - 75_A        1.00     3.19
  LCS_AVERAGE:     49.59

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    5   78      0    3    4    5    5    5    7    8    9    9    9   15   16   17   19   28   29   32   35   47 
LCS_GDT     Q    22_A     Q    22_A      4    5   78      0    3    4    5    6    8   11   16   21   25   25   64   75   77   77   77   77   77   77   77 
LCS_GDT     G    23_A     G    23_A      4   76   78      3    3    5    7   15   38   57   72   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     Q    24_A     Q    24_A     34   76   78     10   34   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     Q    25_A     Q    25_A     51   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     D    26_A     D    26_A     51   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     K    27_A     K    27_A     51   76   78     10   31   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     L    28_A     L    28_A     51   76   78      8   31   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     V    29_A     V    29_A     51   76   78     11   32   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     L    30_A     L    30_A     51   76   78      8   30   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     R    31_A     R    31_A     51   76   78      8   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     V    32_A     V    32_A     51   76   78     13   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     D    33_A     D    33_A     51   76   78     13   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     G    34_A     G    34_A     51   76   78      8   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     I    35_A     I    35_A     51   76   78      3   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     L    36_A     L    36_A     51   76   78     13   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     N    37_A     N    37_A     51   76   78     13   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     E    38_A     E    38_A     51   76   78     13   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     L    39_A     L    39_A     51   76   78     13   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     D    40_A     D    40_A     51   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     A    41_A     A    41_A     51   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     Q    42_A     Q    42_A     51   76   78     13   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     V    43_A     V    43_A     51   76   78     13   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     L    44_A     L    44_A     51   76   78     13   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     E    45_A     E    45_A     51   76   78     13   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     G    46_A     G    46_A     51   76   78     13   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     I    47_A     I    47_A     51   76   78      9   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     L    48_A     L    48_A     51   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     T    49_A     T    49_A     51   76   78     13   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     R    50_A     R    50_A     51   76   78     13   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     L    51_A     L    51_A     51   76   78      5   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     N    52_A     N    52_A     51   76   78      9   34   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     G    53_A     G    53_A     51   76   78      9   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     V    54_A     V    54_A     51   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     R    55_A     R    55_A     51   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     Q    56_A     Q    56_A     51   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     F    57_A     F    57_A     51   76   78      4   22   51   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     R    58_A     R    58_A     51   76   78     10   30   48   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     L    59_A     L    59_A     51   76   78     11   32   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     D    60_A     D    60_A     51   76   78     10   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     R    61_A     R    61_A     51   76   78      8   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     I    62_A     I    62_A     51   76   78      6   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     S    63_A     S    63_A     51   76   78      6   31   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     G    64_A     G    64_A     51   76   78      4   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     E    65_A     E    65_A     51   76   78      4   30   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     L    66_A     L    66_A     51   76   78     11   32   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     E    67_A     E    67_A     51   76   78     10   32   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     V    68_A     V    68_A     51   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     V    69_A     V    69_A     51   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     F    70_A     F    70_A     51   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     D    71_A     D    71_A     51   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     P    72_A     P    72_A     51   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     E    73_A     E    73_A     51   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     V    74_A     V    74_A     51   76   78     12   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     V    75_A     V    75_A     51   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     S    76_A     S    76_A     46   76   78     11   28   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     S    77_A     S    77_A     31   76   78     11   29   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     R    78_A     R    78_A     22   76   78      9   24   59   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     S    79_A     S    79_A     22   76   78      9   23   52   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     L    80_A     L    80_A     22   76   78      9   22   48   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     V    81_A     V    81_A     22   76   78      9   24   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     D    82_A     D    82_A     22   76   78     10   24   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     G    83_A     G    83_A     22   76   78      9   22   45   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     I    84_A     I    84_A     22   76   78      9   16   47   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     E    85_A     E    85_A     22   76   78      9   25   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     E    86_A     E    86_A     22   76   78      9   24   58   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     D    87_A     D    87_A     22   76   78      9   12   27   65   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     G    88_A     G    88_A      3   76   78      3    3    7   10   16   47   73   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     F    89_A     F    89_A      3   76   78      3    5   21   41   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     G    90_A     G    90_A      3   76   78      3    4   22   47   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     K    91_A     K    91_A      8   76   78     10   22   31   51   67   71   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     F    92_A     F    92_A      8   76   78      3   30   59   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     K    93_A     K    93_A      8   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     L    94_A     L    94_A      8   76   78     11   36   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     R    95_A     R    95_A      8   76   78      8   32   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     V    96_A     V    96_A      8   76   78      8   21   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     M    97_A     M    97_A      8   76   78      3   26   60   69   72   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_GDT     S    98_A     S    98_A      8   76   78      0    3   15   31   62   72   74   75   75   75   76   76   76   77   77   77   77   77   77   77 
LCS_AVERAGE  LCS_A:  81.56  (  49.59   95.10  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     13     36     60     69     72     72     74     75     75     75     76     76     76     77     77     77     77     77     77     77 
GDT PERCENT_AT  16.67  46.15  76.92  88.46  92.31  92.31  94.87  96.15  96.15  96.15  97.44  97.44  97.44  98.72  98.72  98.72  98.72  98.72  98.72  98.72
GDT RMS_LOCAL    0.32   0.72   1.04   1.21   1.37   1.35   1.46   1.52   1.52   1.52   1.77   1.77   1.77   2.20   2.20   2.20   2.20   2.20   2.20   2.20
GDT RMS_ALL_AT   3.13   3.09   3.11   3.10   3.07   3.11   3.09   3.09   3.09   3.09   3.01   3.01   3.01   2.93   2.93   2.93   2.93   2.93   2.93   2.93

# Checking swapping
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  F    57_A      F    57_A
#   possible swapping detected:  E    65_A      E    65_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
#   possible swapping detected:  F    89_A      F    89_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    F    21_A      F    21_A    18.595     0    0.118   1.472    21.153    0.000    0.000
LGA    Q    22_A      Q    22_A    12.552     4    0.596   0.598    14.741    0.357    0.159
LGA    G    23_A      G    23_A     8.167     0    0.646   0.646     9.909   12.024   12.024
LGA    Q    24_A      Q    24_A     1.342     0    0.239   1.191     8.214   64.048   41.746
LGA    Q    25_A      Q    25_A     0.525     0    0.035   0.920     4.315   90.476   76.138
LGA    D    26_A      D    26_A     0.963     0    0.096   0.504     2.123   92.857   85.060
LGA    K    27_A      K    27_A     1.428     0    0.035   0.599     3.286   77.143   69.683
LGA    L    28_A      L    28_A     1.517     0    0.090   1.366     5.173   79.286   66.369
LGA    V    29_A      V    29_A     1.020     0    0.073   0.081     1.882   85.952   81.565
LGA    L    30_A      L    30_A     1.066     0    0.060   0.922     2.666   83.690   78.452
LGA    R    31_A      R    31_A     1.046     0    0.085   1.379     6.978   83.690   60.476
LGA    V    32_A      V    32_A     0.850     0    0.078   0.083     1.397   85.952   87.891
LGA    D    33_A      D    33_A     1.209     0    0.056   0.730     2.542   81.429   75.238
LGA    G    34_A      G    34_A     0.995     0    0.069   0.069     1.032   83.690   83.690
LGA    I    35_A      I    35_A     1.139     0    0.038   0.651     1.665   85.952   82.619
LGA    L    36_A      L    36_A     0.758     0    0.143   1.131     3.748   88.214   81.190
LGA    N    37_A      N    37_A     1.164     0    0.043   1.174     4.394   83.690   68.452
LGA    E    38_A      E    38_A     1.263     0    0.052   1.246     4.781   81.429   66.190
LGA    L    39_A      L    39_A     1.082     0    0.055   1.490     5.391   81.429   68.452
LGA    D    40_A      D    40_A     1.400     0    0.027   0.927     4.830   81.429   66.250
LGA    A    41_A      A    41_A     1.273     0    0.041   0.065     1.391   81.429   81.429
LGA    Q    42_A      Q    42_A     0.957     0    0.032   0.878     3.874   83.690   67.989
LGA    V    43_A      V    43_A     1.151     0    0.036   0.913     3.064   81.429   73.469
LGA    L    44_A      L    44_A     1.140     0    0.025   0.960     2.810   81.429   78.393
LGA    E    45_A      E    45_A     1.238     0    0.056   0.620     1.740   81.429   80.476
LGA    G    46_A      G    46_A     0.892     0    0.033   0.033     1.032   88.214   88.214
LGA    I    47_A      I    47_A     0.391     0    0.026   1.458     3.753   92.857   78.393
LGA    L    48_A      L    48_A     1.229     0    0.029   0.188     2.680   83.690   75.298
LGA    T    49_A      T    49_A     1.406     0    0.048   0.923     2.944   79.286   73.129
LGA    R    50_A      R    50_A     1.095     0    0.155   0.588     6.244   81.429   52.078
LGA    L    51_A      L    51_A     1.260     0    0.048   1.325     4.839   85.952   69.524
LGA    N    52_A      N    52_A     1.295     0    0.102   1.112     4.810   81.429   67.976
LGA    G    53_A      G    53_A     1.079     0    0.081   0.081     1.164   85.952   85.952
LGA    V    54_A      V    54_A     0.721     0    0.034   1.169     3.176   95.238   84.898
LGA    R    55_A      R    55_A     0.303     0    0.025   1.616    10.545   95.238   53.290
LGA    Q    56_A      Q    56_A     0.842     0    0.079   0.942     4.316   90.476   75.132
LGA    F    57_A      F    57_A     1.922     0    0.107   1.209     5.534   66.905   56.926
LGA    R    58_A      R    58_A     2.072     0    0.056   1.483     8.989   70.833   44.762
LGA    L    59_A      L    59_A     1.330     0    0.055   1.415     3.945   77.143   73.452
LGA    D    60_A      D    60_A     0.989     0    0.028   0.845     4.133   88.214   73.452
LGA    R    61_A      R    61_A     1.267     0    0.109   1.067     9.556   81.548   48.312
LGA    I    62_A      I    62_A     1.142     0    0.048   1.463     4.466   81.548   67.262
LGA    S    63_A      S    63_A     1.481     0    0.059   0.685     1.839   81.429   78.571
LGA    G    64_A      G    64_A     1.071     0    0.117   0.117     1.494   85.952   85.952
LGA    E    65_A      E    65_A     1.399     0    0.117   0.809     3.676   83.690   73.545
LGA    L    66_A      L    66_A     1.109     0    0.027   1.280     3.678   81.429   70.655
LGA    E    67_A      E    67_A     1.021     0    0.014   0.876     4.702   85.952   63.175
LGA    V    68_A      V    68_A     0.551     0    0.026   0.115     0.770   90.476   90.476
LGA    V    69_A      V    69_A     0.372     0    0.032   0.080     0.566  100.000   98.639
LGA    F    70_A      F    70_A     0.424     0    0.039   0.041     0.561  100.000   98.268
LGA    D    71_A      D    71_A     0.800     0    0.037   0.819     2.511   95.238   84.226
LGA    P    72_A      P    72_A     0.629     0    0.048   0.136     0.675   90.476   91.837
LGA    E    73_A      E    73_A     0.906     0    0.230   0.788     2.975   81.786   77.249
LGA    V    74_A      V    74_A     0.885     0    0.038   1.101     2.488   88.214   81.837
LGA    V    75_A      V    75_A     0.664     0    0.050   0.252     1.479   90.476   87.891
LGA    S    76_A      S    76_A     1.079     0    0.044   0.601     2.557   81.429   77.381
LGA    S    77_A      S    77_A     1.057     0    0.019   0.640     3.081   81.429   76.190
LGA    R    78_A      R    78_A     1.566     0    0.083   1.155     5.759   75.000   61.558
LGA    S    79_A      S    79_A     1.884     0    0.038   0.715     4.336   70.833   64.206
LGA    L    80_A      L    80_A     2.041     0    0.044   0.066     3.037   70.833   65.000
LGA    V    81_A      V    81_A     1.409     0    0.018   0.088     1.716   79.286   78.980
LGA    D    82_A      D    82_A     1.232     0    0.044   0.867     4.239   77.143   65.893
LGA    G    83_A      G    83_A     2.133     0    0.030   0.030     2.287   66.786   66.786
LGA    I    84_A      I    84_A     2.152     0    0.041   0.582     2.670   66.786   65.833
LGA    E    85_A      E    85_A     1.109     0    0.050   0.217     2.125   83.690   82.593
LGA    E    86_A      E    86_A     1.618     0    0.029   1.054     2.951   75.000   67.619
LGA    D    87_A      D    87_A     2.936     0    0.460   0.539     6.928   59.048   40.476
LGA    G    88_A      G    88_A     3.992     0    0.631   0.631     3.992   53.690   53.690
LGA    F    89_A      F    89_A     3.082     0    0.563   0.575     4.473   48.333   44.069
LGA    G    90_A      G    90_A     3.628     0    0.246   0.246     3.628   52.381   52.381
LGA    K    91_A      K    91_A     3.553     0    0.645   1.104    13.065   50.833   25.661
LGA    F    92_A      F    92_A     1.627     0    0.161   0.179     3.343   77.143   68.009
LGA    K    93_A      K    93_A     1.394     0    0.082   0.922     6.192   79.286   61.958
LGA    L    94_A      L    94_A     0.387     0    0.099   1.166     3.545   90.595   81.667
LGA    R    95_A      R    95_A     1.525     0    0.135   1.572    10.755   79.286   44.372
LGA    V    96_A      V    96_A     1.406     0    0.051   1.098     3.163   79.286   73.265
LGA    M    97_A      M    97_A     1.156     0    0.573   0.674     2.415   83.690   79.405
LGA    S    98_A      S    98_A     3.213     1    0.633   0.607     5.541   38.214   31.667

# 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):     2.885          2.770                  3.854           77.349   68.108

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  100   78    4.0     75    1.52    82.372    89.779     4.617

LGA_LOCAL      RMSD:   1.524  Number of atoms:   75  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.089  Number of assigned atoms:   78 
Std_ASGN_ATOMS RMSD:   2.885  Standard rmsd on all 78 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.750384 * X  +   0.485469 * Y  +   0.448602 * Z  + -27.126200
  Y_new =   0.518774 * X  +  -0.853110 * Y  +   0.055459 * Z  +  -3.498245
  Z_new =   0.409631 * X  +   0.191108 * Y  +  -0.892009 * Z  +  -3.176106 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.604894 -0.422050  2.930539   [DEG:   34.6579  -24.1817  167.9075 ]
ZXZ:  1.693799  2.672567  1.134276   [DEG:   97.0475  153.1268   64.9892 ]
 
# END of job
