
#######################################################
#                                                     #
#                        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  102 (  824),  selected   83 , name one
# Molecule2: number of CA atoms   83 (  673),  selected   83 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83       6_A - 88_A        2.81     2.81
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81       6_A - 86_A        1.86     2.88
  LCS_AVERAGE:     95.34

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    71      12_A - 82_A        1.00     3.15
  LONGEST_CONTINUOUS_SEGMENT:    71      13_A - 83_A        1.00     3.13
  LCS_AVERAGE:     78.85

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   83
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     R     6_B     R     6_A      4   81   83      2    4    4    9   10   12   25   32   77   79   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     K     7_B     K     7_A      4   81   83      3    4   44   62   68   74   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     P     8_B     P     8_A     63   81   83      3   20   55   70   75   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     K     9_B     K     9_A     66   81   83      3    4    7   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     A    10_B     A    10_A     67   81   83      0    5   10   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     K    11_B     K    11_A     68   81   83     21   49   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     R    12_B     R    12_A     71   81   83      4   41   62   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     T    13_B     T    13_A     71   81   83     22   49   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     W    14_B     W    14_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     S    15_B     S    15_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     K    16_B     K    16_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     E    17_B     E    17_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     E    18_B     E    18_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     E    19_B     E    19_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     E    20_B     E    20_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     A    21_B     A    21_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     L    22_B     L    22_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     V    23_B     V    23_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     E    24_B     E    24_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     G    25_B     G    25_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     L    26_B     L    26_A     71   81   83     31   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     K    27_B     K    27_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     E    28_B     E    28_A     71   81   83     27   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     V    29_B     V    29_A     71   81   83     23   50   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     G    30_B     G    30_A     71   81   83      9   50   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     P    31_B     P    31_A     71   81   83      7   50   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     S    32_B     S    32_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     W    33_B     W    33_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     S    34_B     S    34_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     K    35_B     K    35_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     I    36_B     I    36_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     L    37_B     L    37_A     71   81   83     18   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     D    38_B     D    38_A     71   81   83     21   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     L    39_B     L    39_A     71   81   83     30   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     Y    40_B     Y    40_A     71   81   83     32   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     G    41_B     G    41_A     71   81   83      5   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     P    42_B     P    42_A     71   81   83      5   24   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     G    43_B     G    43_A     71   81   83      3   48   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     G    44_B     G    44_A     71   81   83      4   48   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     K    45_B     K    45_A     71   81   83     27   50   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     I    46_B     I    46_A     71   81   83     22   50   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     T    47_B     T    47_A     71   81   83      3   46   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     E    48_B     E    48_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     N    49_B     N    49_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     L    50_B     L    50_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     K    51_B     K    51_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     N    52_B     N    52_A     71   81   83     24   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     R    53_B     R    53_A     71   81   83     27   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     T    54_B     T    54_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     Q    55_B     Q    55_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     V    56_B     V    56_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     Q    57_B     Q    57_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     L    58_B     L    58_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     K    59_B     K    59_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     D    60_B     D    60_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     K    61_B     K    61_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     A    62_B     A    62_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     R    63_B     R    63_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     N    64_B     N    64_A     71   81   83     31   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     W    65_B     W    65_A     71   81   83     31   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     K    66_B     K    66_A     71   81   83     21   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     L    67_B     L    67_A     71   81   83     11   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     Q    68_B     Q    68_A     71   81   83     14   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     Y    69_B     Y    69_A     71   81   83     13   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     L    70_B     L    70_A     71   81   83     11   42   65   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     K    71_B     K    71_A     71   81   83     10   34   52   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     S    72_B     S    72_A     71   81   83     13   27   52   71   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     G    73_B     G    73_A     71   81   83     14   34   58   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     K    74_B     K    74_A     71   81   83     22   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     P    75_B     P    75_A     71   81   83     33   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     L    76_B     L    76_A     71   81   83     17   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     P    77_B     P    77_A     71   81   83     19   49   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     D    78_B     D    78_A     71   81   83     10   41   59   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     Y    79_B     Y    79_A     71   81   83     11   48   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     L    80_B     L    80_A     71   81   83     17   50   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     I    81_B     I    81_A     71   81   83     17   50   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     K    82_B     K    82_A     71   81   83     30   51   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     V    83_B     V    83_A     71   81   83      4   38   62   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     T    84_B     T    84_A     36   81   83     13   49   67   72   76   77   78   78   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     G    85_B     G    85_A      3   81   83      3    3    7   10   32   40   52   72   77   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     N    86_B     N    86_A      3   81   83      3    3    5    8   19   42   52   72   78   80   81   81   81   81   81   81   81   81   83   83 
LCS_GDT     L    87_B     L    87_A      3    4   83      3    3    3    5    5    7    8    9   10   28   44   54   59   65   69   72   80   81   83   83 
LCS_GDT     E    88_B     E    88_A      3    3   83      3    3    3    4    5    7    7    9   10   12   38   54   59   65   68   71   75   76   83   83 
LCS_AVERAGE  LCS_A:  91.40  (  78.85   95.34  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     33     51     67     72     76     77     78     78     78     80     81     81     81     81     81     81     81     81     83     83 
GDT PERCENT_AT  39.76  61.45  80.72  86.75  91.57  92.77  93.98  93.98  93.98  96.39  97.59  97.59  97.59  97.59  97.59  97.59  97.59  97.59 100.00 100.00
GDT RMS_LOCAL    0.33   0.60   0.83   0.95   1.09   1.14   1.27   1.27   1.27   1.67   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86   2.81   2.81
GDT RMS_ALL_AT   3.08   3.08   3.06   3.09   3.14   3.09   3.02   3.02   3.02   2.92   2.88   2.88   2.88   2.88   2.88   2.88   2.88   2.88   2.81   2.81

# Checking swapping
#   possible swapping detected:  E    24_B      E    24_A
#   possible swapping detected:  Y    40_B      Y    40_A
#   possible swapping detected:  E    88_B      E    88_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    R     6_B      R     6_A     8.554     0    0.636   1.715    14.328    4.643    1.688
LGA    K     7_B      K     7_A     4.822     0    0.103   0.983     5.640   34.881   34.974
LGA    P     8_B      P     8_A     2.683     0    0.017   0.040     4.419   63.690   57.143
LGA    K     9_B      K     9_A     2.284     0    0.100   1.085     5.905   66.786   53.333
LGA    A    10_B      A    10_A     2.864     0    0.666   0.624     5.435   47.619   48.095
LGA    K    11_B      K    11_A     1.292     0    0.453   0.799     3.595   71.429   71.852
LGA    R    12_B      R    12_A     1.903     0    0.084   0.188     3.370   77.143   62.511
LGA    T    13_B      T    13_A     1.104     0    0.027   0.033     1.681   83.690   81.497
LGA    W    14_B      W    14_A     0.156     0    0.063   0.229     2.075  100.000   86.939
LGA    S    15_B      S    15_A     0.513     0    0.023   0.064     0.619   95.238   93.651
LGA    K    16_B      K    16_A     0.662     0    0.044   1.142     4.425   90.476   80.847
LGA    E    17_B      E    17_A     0.767     0    0.011   0.756     2.853   90.476   80.952
LGA    E    18_B      E    18_A     0.482     0    0.027   0.265     0.886   92.857   93.651
LGA    E    19_B      E    19_A     0.559     0    0.008   0.234     1.392   90.476   90.529
LGA    E    20_B      E    20_A     0.693     0    0.050   0.165     1.425   90.476   88.466
LGA    A    21_B      A    21_A     0.506     0    0.022   0.027     0.610   90.476   90.476
LGA    L    22_B      L    22_A     0.534     0    0.074   0.885     2.678   95.238   85.476
LGA    V    23_B      V    23_A     0.834     0    0.029   0.066     1.323   90.476   86.599
LGA    E    24_B      E    24_A     0.647     0    0.024   1.286     4.709   95.238   77.513
LGA    G    25_B      G    25_A     0.298     0    0.092   0.092     0.446  100.000  100.000
LGA    L    26_B      L    26_A     0.574     0    0.006   0.124     1.210   95.238   90.595
LGA    K    27_B      K    27_A     0.176     0    0.075   0.916     3.715  100.000   89.788
LGA    E    28_B      E    28_A     0.708     0    0.015   0.244     1.315   90.595   87.513
LGA    V    29_B      V    29_A     0.924     0    0.050   0.083     1.351   85.952   87.891
LGA    G    30_B      G    30_A     1.246     0    0.078   0.078     1.246   83.690   83.690
LGA    P    31_B      P    31_A     1.185     0    0.091   0.117     1.764   83.690   79.048
LGA    S    32_B      S    32_A     0.125     0    0.050   0.741     2.918  100.000   92.857
LGA    W    33_B      W    33_A     0.134     0    0.049   0.319     2.571  100.000   82.755
LGA    S    34_B      S    34_A     0.394     0    0.079   0.097     1.037  100.000   95.317
LGA    K    35_B      K    35_A     0.376     0    0.023   0.658     3.184  100.000   87.249
LGA    I    36_B      I    36_A     0.285     0    0.043   0.125     0.637  100.000   98.810
LGA    L    37_B      L    37_A     0.859     0    0.098   1.376     3.103   88.214   79.940
LGA    D    38_B      D    38_A     0.954     0    0.018   0.086     1.297   88.214   84.821
LGA    L    39_B      L    39_A     0.458     0    0.052   0.270     1.221   95.238   90.595
LGA    Y    40_B      Y    40_A     0.449     0    0.056   0.097     2.142   95.238   84.722
LGA    G    41_B      G    41_A     1.041     0    0.110   0.110     1.253   83.690   83.690
LGA    P    42_B      P    42_A     1.680     0    0.035   0.291     2.130   77.143   72.993
LGA    G    43_B      G    43_A     1.481     0    0.078   0.078     1.578   79.286   79.286
LGA    G    44_B      G    44_A     1.362     0    0.209   0.209     1.904   79.286   79.286
LGA    K    45_B      K    45_A     1.147     0    0.046   0.591     3.460   83.690   71.005
LGA    I    46_B      I    46_A     0.995     0    0.477   1.261     2.398   81.786   78.571
LGA    T    47_B      T    47_A     1.573     0    0.232   1.242     3.981   68.929   63.129
LGA    E    48_B      E    48_A     0.683     0    0.198   0.448     1.934   92.857   86.561
LGA    N    49_B      N    49_A     0.345     0    0.030   0.259     1.203  100.000   94.107
LGA    L    50_B      L    50_A     0.362     0    0.022   0.104     0.402  100.000  100.000
LGA    K    51_B      K    51_A     0.266     0    0.103   0.806     3.247   97.619   83.545
LGA    N    52_B      N    52_A     0.881     0    0.002   1.113     3.231   88.214   80.893
LGA    R    53_B      R    53_A     0.715     0    0.039   0.113     0.968   90.476   90.476
LGA    T    54_B      T    54_A     0.440     0    0.039   0.077     0.573   97.619   97.279
LGA    Q    55_B      Q    55_A     0.189     0    0.023   0.210     1.401  100.000   94.762
LGA    V    56_B      V    56_A     0.383     0    0.052   0.054     0.467  100.000  100.000
LGA    Q    57_B      Q    57_A     0.456     0    0.006   0.233     1.487  100.000   93.704
LGA    L    58_B      L    58_A     0.309     0    0.010   0.223     0.837  100.000   97.619
LGA    K    59_B      K    59_A     0.234     0    0.023   0.776     5.531  100.000   79.153
LGA    D    60_B      D    60_A     0.218     0    0.032   0.791     3.145  100.000   86.964
LGA    K    61_B      K    61_A     0.248     0    0.019   0.528     1.537  100.000   93.862
LGA    A    62_B      A    62_A     0.327     0    0.012   0.014     0.419  100.000  100.000
LGA    R    63_B      R    63_A     0.483     0    0.016   0.914     4.409  100.000   79.307
LGA    N    64_B      N    64_A     0.422     0    0.015   0.176     0.599   97.619   97.619
LGA    W    65_B      W    65_A     0.388     0    0.024   1.307     5.344  100.000   73.742
LGA    K    66_B      K    66_A     0.761     0    0.041   0.113     2.199   88.214   78.836
LGA    L    67_B      L    67_A     1.212     0    0.028   0.044     1.616   83.690   81.488
LGA    Q    68_B      Q    68_A     1.228     0    0.037   0.076     1.632   79.286   79.524
LGA    Y    69_B      Y    69_A     0.981     0    0.022   0.196     1.445   85.952   85.198
LGA    L    70_B      L    70_A     1.615     0    0.034   0.126     2.237   72.976   71.905
LGA    K    71_B      K    71_A     2.385     0    0.007   1.394     5.787   62.976   58.571
LGA    S    72_B      S    72_A     2.568     0    0.006   0.060     2.718   60.952   60.952
LGA    G    73_B      G    73_A     2.224     0    0.078   0.078     2.246   66.786   66.786
LGA    K    74_B      K    74_A     0.768     0    0.006   0.972     6.211   88.214   70.582
LGA    P    75_B      P    75_A     1.002     0    0.030   0.036     1.223   85.952   85.306
LGA    L    76_B      L    76_A     1.263     0    0.030   1.284     2.943   75.119   71.131
LGA    P    77_B      P    77_A     1.697     0    0.041   0.058     1.867   75.000   79.048
LGA    D    78_B      D    78_A     2.421     0    0.010   0.255     2.741   64.762   61.905
LGA    Y    79_B      Y    79_A     1.706     0    0.166   0.189     1.920   72.857   76.429
LGA    L    80_B      L    80_A     1.331     0    0.162   0.176     1.685   79.286   83.750
LGA    I    81_B      I    81_A     1.534     0    0.033   0.660     2.487   81.548   78.393
LGA    K    82_B      K    82_A     0.614     0    0.307   0.819     3.146   92.857   80.317
LGA    V    83_B      V    83_A     1.891     0    0.634   0.610     4.048   64.048   63.265
LGA    T    84_B      T    84_A     1.238     0    0.645   1.359     5.141   62.500   52.789
LGA    G    85_B      G    85_A     7.036     0    0.594   0.594     7.107   16.190   16.190
LGA    N    86_B      N    86_A     7.335     0    0.639   1.456    11.481    5.000    9.702
LGA    L    87_B      L    87_A    14.065     0    0.045   1.329    18.339    0.000    0.000
LGA    E    88_B      E    88_A    16.034     0    0.029   1.146    20.983    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       83     332    332  100.00     673    673  100.00                83
SUMMARY(RMSD_GDC):     2.806          2.876                  3.378           81.443   76.523

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  102   83    4.0     78    1.27    84.940    90.851     5.674

LGA_LOCAL      RMSD:   1.275  Number of atoms:   78  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.022  Number of assigned atoms:   83 
Std_ASGN_ATOMS RMSD:   2.806  Standard rmsd on all 83 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.603355 * X  +  -0.352418 * Y  +   0.715377 * Z  +  16.804647
  Y_new =  -0.194146 * X  +   0.934978 * Y  +   0.296857 * Z  + -30.586357
  Z_new =  -0.773479 * X  +   0.040223 * Y  +  -0.632544 * Z  +   8.505554 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.830278  0.884312  3.078090   [DEG: -162.1630   50.6674  176.3615 ]
ZXZ:  1.964137  2.255630 -1.518841   [DEG:  112.5368  129.2381  -87.0232 ]
 
# END of job
