
#######################################################
#                                                     #
#                        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        3.23     3.23
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76      23_A - 98_A        1.97     3.33
  LCS_AVERAGE:     95.10

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      45_A - 74_A        1.00     3.44
  LONGEST_CONTINUOUS_SEGMENT:    30      46_A - 75_A        0.98     3.44
  LONGEST_CONTINUOUS_SEGMENT:    30      47_A - 76_A        0.98     3.44
  LCS_AVERAGE:     31.34

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      3    5   78      3    3    3    3    5    5    5    7    8    9    9    9   12   15   16   17   19   20   21   23 
LCS_GDT     Q    22_A     Q    22_A      4    5   78      3    3    4    5    5    5    7    9   11   13   14   16   19   29   39   42   75   77   77   77 
LCS_GDT     G    23_A     G    23_A      4   76   78      3    3    4    5    5    5    7   19   37   41   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     Q    24_A     Q    24_A     10   76   78      1    8   37   60   71   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     Q    25_A     Q    25_A     12   76   78      7   24   45   65   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     D    26_A     D    26_A     12   76   78     15   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     K    27_A     K    27_A     12   76   78      7   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     L    28_A     L    28_A     12   76   78     15   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     V    29_A     V    29_A     12   76   78     15   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     L    30_A     L    30_A     25   76   78     10   28   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     R    31_A     R    31_A     26   76   78      7   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     V    32_A     V    32_A     26   76   78     15   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     D    33_A     D    33_A     26   76   78     10   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     G    34_A     G    34_A     26   76   78      7   21   47   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     I    35_A     I    35_A     27   76   78      3   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     L    36_A     L    36_A     28   76   78      9   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     N    37_A     N    37_A     28   76   78      9   25   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     E    38_A     E    38_A     28   76   78      9   24   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     L    39_A     L    39_A     28   76   78      9   24   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     D    40_A     D    40_A     28   76   78      9   25   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     A    41_A     A    41_A     28   76   78      9   25   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     Q    42_A     Q    42_A     28   76   78      9   24   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     V    43_A     V    43_A     28   76   78      9   24   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     L    44_A     L    44_A     28   76   78      9   25   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     E    45_A     E    45_A     30   76   78      6   24   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     G    46_A     G    46_A     30   76   78      6   24   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     I    47_A     I    47_A     30   76   78      9   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     L    48_A     L    48_A     30   76   78      6   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     T    49_A     T    49_A     30   76   78      6   24   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     R    50_A     R    50_A     30   76   78      6   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     L    51_A     L    51_A     30   76   78     11   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     N    52_A     N    52_A     30   76   78     15   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     G    53_A     G    53_A     30   76   78     15   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     V    54_A     V    54_A     30   76   78     15   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     R    55_A     R    55_A     30   76   78     12   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     Q    56_A     Q    56_A     30   76   78     15   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     F    57_A     F    57_A     30   76   78      7   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     R    58_A     R    58_A     30   76   78     15   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     L    59_A     L    59_A     30   76   78     15   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     D    60_A     D    60_A     30   76   78      4   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     R    61_A     R    61_A     30   76   78      3   23   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     I    62_A     I    62_A     30   76   78      3   22   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     S    63_A     S    63_A     30   76   78      7   28   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     G    64_A     G    64_A     30   76   78     10   27   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     E    65_A     E    65_A     30   76   78      7   29   46   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     L    66_A     L    66_A     30   76   78      7   28   46   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     E    67_A     E    67_A     30   76   78     15   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     V    68_A     V    68_A     30   76   78     15   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     V    69_A     V    69_A     30   76   78     15   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     F    70_A     F    70_A     30   76   78      9   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     D    71_A     D    71_A     30   76   78     15   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     P    72_A     P    72_A     30   76   78      8   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     E    73_A     E    73_A     30   76   78      8   30   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     V    74_A     V    74_A     30   76   78      9   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     V    75_A     V    75_A     30   76   78      6   27   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     S    76_A     S    76_A     30   76   78     10   23   45   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     S    77_A     S    77_A     28   76   78     10   23   45   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     R    78_A     R    78_A     22   76   78      4   23   42   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     S    79_A     S    79_A     22   76   78     10   23   42   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     L    80_A     L    80_A     22   76   78     10   23   42   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     V    81_A     V    81_A     22   76   78     10   23   45   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     D    82_A     D    82_A     22   76   78     10   23   45   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     G    83_A     G    83_A     22   76   78     10   23   42   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     I    84_A     I    84_A     22   76   78     10   20   43   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     E    85_A     E    85_A     22   76   78     10   23   45   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     E    86_A     E    86_A     22   76   78     10   23   45   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     D    87_A     D    87_A     22   76   78      9   16   35   55   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     G    88_A     G    88_A     20   76   78     10   20   39   60   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     F    89_A     F    89_A     20   76   78      3    4   21   60   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     G    90_A     G    90_A     20   76   78      3   20   34   57   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     K    91_A     K    91_A     20   76   78     10   20   39   61   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     F    92_A     F    92_A     20   76   78     10   20   44   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     K    93_A     K    93_A     20   76   78     10   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     L    94_A     L    94_A     20   76   78     15   31   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     R    95_A     R    95_A     20   76   78     10   30   48   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     V    96_A     V    96_A     20   76   78     10   20   47   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     M    97_A     M    97_A     19   76   78      8   20   37   66   73   74   74   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_GDT     S    98_A     S    98_A     11   76   78      2   16   20   30   39   54   67   74   75   75   75   75   75   75   76   76   76   77   77   77 
LCS_AVERAGE  LCS_A:  75.48  (  31.34   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     15     31     48     66     73     74     74     74     75     75     75     75     75     75     76     76     76     77     77     77 
GDT PERCENT_AT  19.23  39.74  61.54  84.62  93.59  94.87  94.87  94.87  96.15  96.15  96.15  96.15  96.15  96.15  97.44  97.44  97.44  98.72  98.72  98.72
GDT RMS_LOCAL    0.43   0.71   1.04   1.34   1.49   1.52   1.52   1.52   1.62   1.62   1.62   1.62   1.62   1.62   1.97   1.97   1.97   2.52   2.52   2.52
GDT RMS_ALL_AT   3.59   3.57   3.46   3.39   3.39   3.38   3.38   3.38   3.40   3.40   3.40   3.40   3.40   3.40   3.33   3.33   3.33   3.26   3.26   3.26

# Checking swapping
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    38_A      E    38_A
#   possible swapping detected:  D    40_A      D    40_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  E    85_A      E    85_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    19.427     0    0.237   1.294    21.471    0.000    0.000
LGA    Q    22_A      Q    22_A    14.599     4    0.432   0.484    15.812    0.000    0.000
LGA    G    23_A      G    23_A     9.990     0    0.694   0.694    11.025    5.952    5.952
LGA    Q    24_A      Q    24_A     2.962     0    0.602   1.283     5.638   44.762   51.111
LGA    Q    25_A      Q    25_A     2.129     0    0.518   1.344     3.479   61.071   60.688
LGA    D    26_A      D    26_A     1.121     0    0.120   0.199     1.414   85.952   84.821
LGA    K    27_A      K    27_A     1.220     0    0.126   0.592     2.699   79.286   75.079
LGA    L    28_A      L    28_A     0.795     0    0.029   1.364     3.541   90.476   76.310
LGA    V    29_A      V    29_A     1.089     0    0.053   0.096     1.988   83.690   79.048
LGA    L    30_A      L    30_A     1.523     0    0.121   0.677     2.942   72.976   72.024
LGA    R    31_A      R    31_A     1.295     0    0.032   0.879     3.925   81.429   70.043
LGA    V    32_A      V    32_A     0.814     0    0.034   0.052     1.599   90.476   85.374
LGA    D    33_A      D    33_A     1.093     0    0.185   0.314     2.087   77.381   78.333
LGA    G    34_A      G    34_A     1.282     0    0.290   0.290     2.490   75.119   75.119
LGA    I    35_A      I    35_A     1.639     0    0.033   1.105     4.458   79.286   76.071
LGA    L    36_A      L    36_A     1.647     0    0.103   0.202     2.153   72.857   71.845
LGA    N    37_A      N    37_A     1.780     0    0.100   1.216     2.433   72.857   74.107
LGA    E    38_A      E    38_A     1.737     0    0.045   0.816     2.039   72.857   76.931
LGA    L    39_A      L    39_A     1.984     0    0.030   1.121     5.665   72.857   58.869
LGA    D    40_A      D    40_A     1.578     0    0.082   0.128     1.981   72.857   72.857
LGA    A    41_A      A    41_A     1.446     0    0.051   0.053     1.676   77.143   78.000
LGA    Q    42_A      Q    42_A     1.852     0    0.030   0.948     5.823   70.833   56.455
LGA    V    43_A      V    43_A     1.906     0    0.065   0.097     2.150   72.857   70.544
LGA    L    44_A      L    44_A     1.405     0    0.028   1.390     2.765   81.429   75.357
LGA    E    45_A      E    45_A     1.745     0    0.099   0.359     2.333   72.857   73.915
LGA    G    46_A      G    46_A     1.880     0    0.032   0.032     1.880   72.857   72.857
LGA    I    47_A      I    47_A     0.831     0    0.011   0.675     3.495   88.214   84.286
LGA    L    48_A      L    48_A     1.198     0    0.068   0.863     3.025   77.143   70.238
LGA    T    49_A      T    49_A     1.855     0    0.083   0.091     2.157   70.833   69.388
LGA    R    50_A      R    50_A     1.380     0    0.058   1.484     7.431   81.429   58.268
LGA    L    51_A      L    51_A     1.163     0    0.087   1.312     2.771   88.333   82.083
LGA    N    52_A      N    52_A     0.833     0    0.661   0.812     4.192   70.476   70.000
LGA    G    53_A      G    53_A     1.058     0    0.137   0.137     1.058   88.214   88.214
LGA    V    54_A      V    54_A     0.770     0    0.075   0.071     0.943   90.476   90.476
LGA    R    55_A      R    55_A     0.585     0    0.078   1.252     5.947   90.595   67.532
LGA    Q    56_A      Q    56_A     0.117     0    0.127   0.361     2.617  100.000   86.085
LGA    F    57_A      F    57_A     1.170     0    0.095   0.149     2.990   88.214   71.948
LGA    R    58_A      R    58_A     0.659     0    0.049   1.078     7.792   81.786   49.957
LGA    L    59_A      L    59_A     1.391     0    0.073   1.093     2.257   81.429   77.262
LGA    D    60_A      D    60_A     1.168     0    0.173   0.332     2.624   83.690   75.298
LGA    R    61_A      R    61_A     1.069     0    0.050   1.156     3.520   83.690   70.519
LGA    I    62_A      I    62_A     1.113     0    0.077   0.144     2.351   85.952   79.464
LGA    S    63_A      S    63_A     0.938     0    0.148   0.212     1.900   92.857   86.190
LGA    G    64_A      G    64_A     0.840     0    0.052   0.052     0.840   92.857   92.857
LGA    E    65_A      E    65_A     1.718     0    0.102   0.947     3.518   75.000   62.910
LGA    L    66_A      L    66_A     1.775     0    0.088   0.100     1.930   72.857   72.857
LGA    E    67_A      E    67_A     1.182     0    0.181   0.856     2.816   81.548   78.836
LGA    V    68_A      V    68_A     0.405     0    0.043   0.072     0.636   97.619   97.279
LGA    V    69_A      V    69_A     0.282     0    0.077   0.161     0.447  100.000  100.000
LGA    F    70_A      F    70_A     0.484     0    0.045   1.319     5.261   95.238   71.818
LGA    D    71_A      D    71_A     0.955     0    0.648   0.817     4.601   74.286   65.774
LGA    P    72_A      P    72_A     0.534     0    0.208   0.649     1.962   90.476   86.667
LGA    E    73_A      E    73_A     0.541     0    0.157   0.365     1.671   88.452   90.688
LGA    V    74_A      V    74_A     0.249     0    0.089   0.106     0.656   97.619   97.279
LGA    V    75_A      V    75_A     0.830     0    0.041   0.094     2.024   92.857   84.354
LGA    S    76_A      S    76_A     1.456     0    0.050   0.043     1.780   77.143   75.714
LGA    S    77_A      S    77_A     1.596     0    0.062   0.160     2.295   72.857   71.508
LGA    R    78_A      R    78_A     1.983     0    0.094   1.502    10.234   72.857   43.766
LGA    S    79_A      S    79_A     2.035     0    0.031   0.637     4.204   68.810   62.857
LGA    L    80_A      L    80_A     2.059     0    0.070   1.132     4.255   70.833   64.405
LGA    V    81_A      V    81_A     1.457     0    0.044   0.045     1.622   79.286   80.204
LGA    D    82_A      D    82_A     1.625     0    0.031   0.160     1.945   72.857   72.857
LGA    G    83_A      G    83_A     2.068     0    0.045   0.045     2.166   68.810   68.810
LGA    I    84_A      I    84_A     1.832     0    0.049   0.072     2.041   72.857   70.833
LGA    E    85_A      E    85_A     1.456     0    0.153   0.191     1.791   81.429   76.667
LGA    E    86_A      E    86_A     1.799     0    0.099   0.732     2.535   72.976   69.365
LGA    D    87_A      D    87_A     2.916     0    0.117   0.917     7.203   59.048   39.583
LGA    G    88_A      G    88_A     2.543     0    0.555   0.555     2.946   60.952   60.952
LGA    F    89_A      F    89_A     2.276     0    0.405   1.429     9.557   57.857   31.472
LGA    G    90_A      G    90_A     2.510     0    0.079   0.079     2.510   62.857   62.857
LGA    K    91_A      K    91_A     2.174     0    0.042   0.520     2.364   68.810   72.169
LGA    F    92_A      F    92_A     1.693     0    0.074   0.731     2.515   70.833   69.957
LGA    K    93_A      K    93_A     1.158     0    0.138   0.892     7.351   83.810   59.841
LGA    L    94_A      L    94_A     0.590     0    0.059   0.815     1.962   90.595   86.071
LGA    R    95_A      R    95_A     1.298     0    0.106   0.940     2.266   79.405   76.883
LGA    V    96_A      V    96_A     1.797     0    0.157   0.224     3.032   65.119   63.878
LGA    M    97_A      M    97_A     2.153     0    0.176   1.105     3.648   64.881   65.179
LGA    S    98_A      S    98_A     5.123     1    0.669   0.630     6.536   36.190   26.349

# 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):     3.230          3.146                  3.756           75.043   69.518

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  100   78    4.0     74    1.52    79.167    87.760     4.555

LGA_LOCAL      RMSD:   1.524  Number of atoms:   74  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.375  Number of assigned atoms:   78 
Std_ASGN_ATOMS RMSD:   3.230  Standard rmsd on all 78 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.113507 * X  +  -0.932417 * Y  +   0.343095 * Z  +   9.116979
  Y_new =  -0.122199 * X  +   0.329603 * Y  +   0.936178 * Z  + -11.134192
  Z_new =  -0.985994 * X  +  -0.148188 * Y  +  -0.076528 * Z  + -10.502806 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.822257  1.403231 -2.047496   [DEG:  -47.1119   80.3992 -117.3129 ]
ZXZ:  2.790308  1.647399 -1.719973   [DEG:  159.8729   94.3890  -98.5472 ]
 
# END of job
