
#######################################################
#                                                     #
#                        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   90 (  747),  selected   86 , name one
# Molecule2: number of CA atoms   86 (  717),  selected   86 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.28     1.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    86       5_B - 90_B        1.28     1.28
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84       7_B - 90_B        0.80     1.32
  LCS_AVERAGE:     95.48

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   86
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     K     5_B     K     5_B      3   86   86      2    3    6    9   32   79   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     P     6_B     P     6_B      3   86   86      3    3    4    5   10   13   15   57   83   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N     7_B     N     7_B     84   86   86      4   15   62   81   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E     8_B     E     8_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I     9_B     I     9_B     84   86   86     43   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    10_B     V    10_B     84   86   86     27   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    11_B     I    11_B     84   86   86     21   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    12_B     T    12_B     84   86   86      7   64   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    13_B     K    13_B     84   86   86      5   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    14_B     S    14_B     84   86   86     12   66   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    15_B     K    15_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    16_B     R    16_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    17_B     I    17_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    18_B     E    18_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    19_B     D    19_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    20_B     Y    20_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    21_B     V    21_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    22_B     L    22_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    23_B     D    23_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     T    24_B     T    24_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    25_B     I    25_B     84   86   86     42   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    26_B     I    26_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    27_B     L    27_B     84   86   86     46   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     F    28_B     F    28_B     84   86   86     36   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    29_B     N    29_B     84   86   86     21   67   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    30_B     Q    30_B     84   86   86      9   64   77   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    31_B     G    31_B     84   86   86     21   51   77   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    32_B     Y    32_B     84   86   86      3   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    33_B     E    33_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    34_B     E    34_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    35_B     V    35_B     84   86   86     48   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    36_B     E    36_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    37_B     I    37_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    38_B     R    38_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    39_B     G    39_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    40_B     S    40_B     84   86   86     27   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    41_B     G    41_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    42_B     Q    42_B     84   86   86     48   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    43_B     E    43_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    44_B     I    44_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    45_B     N    45_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    46_B     K    46_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     A    47_B     A    47_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    48_B     I    48_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    49_B     E    49_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    50_B     V    50_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    51_B     Y    51_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     N    52_B     N    52_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Q    53_B     Q    53_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    54_B     L    54_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    55_B     V    55_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    56_B     D    56_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    57_B     R    57_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    58_B     L    58_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    59_B     K    59_B     84   86   86     36   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    60_B     E    60_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    61_B     G    61_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    62_B     V    62_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    63_B     R    63_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    64_B     L    64_B     84   86   86     46   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    65_B     E    65_B     84   86   86     44   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    66_B     K    66_B     84   86   86     41   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    67_B     V    67_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    68_B     D    68_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    69_B     I    69_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     G    70_B     G    70_B     84   86   86     34   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    71_B     S    71_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     E    72_B     E    72_B     84   86   86      6   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     V    73_B     V    73_B     84   86   86      5   63   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    74_B     K    74_B     84   86   86      3   70   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     D    75_B     D    75_B     84   86   86      4   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    76_B     R    76_B     84   86   86      4   60   74   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    77_B     R    77_B     84   86   86      7   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    78_B     R    78_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    79_B     I    79_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     S    80_B     S    80_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    81_B     Y    81_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    82_B     I    82_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    83_B     L    83_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    84_B     L    84_B     84   86   86     45   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    85_B     R    85_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     L    86_B     L    86_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     K    87_B     K    87_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     R    88_B     R    88_B     84   86   86     49   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     I    89_B     I    89_B     84   86   86     48   71   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_GDT     Y    90_B     Y    90_B     84   86   86     11   32   80   83   84   84   84   85   85   86   86   86   86   86   86   86   86   86   86   86 
LCS_AVERAGE  LCS_A:  98.49  (  95.48  100.00  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     49     71     80     83     84     84     84     85     85     86     86     86     86     86     86     86     86     86     86     86 
GDT PERCENT_AT  56.98  82.56  93.02  96.51  97.67  97.67  97.67  98.84  98.84 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.48   0.64   0.75   0.80   0.80   0.80   1.01   1.01   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28
GDT RMS_ALL_AT   1.36   1.34   1.33   1.33   1.32   1.32   1.32   1.29   1.29   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28   1.28

# Checking swapping
#   possible swapping detected:  E    18_B      E    18_B
#   possible swapping detected:  D    19_B      D    19_B
#   possible swapping detected:  D    23_B      D    23_B
#   possible swapping detected:  F    28_B      F    28_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  E    34_B      E    34_B
#   possible swapping detected:  E    43_B      E    43_B
#   possible swapping detected:  D    68_B      D    68_B
#   possible swapping detected:  E    72_B      E    72_B
#   possible swapping detected:  D    75_B      D    75_B
#   possible swapping detected:  Y    90_B      Y    90_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K     5_B      K     5_B     5.668     0    0.533   0.902     7.108   16.548   25.979
LGA    P     6_B      P     6_B     7.530     0    0.636   0.751    10.330   12.262    7.619
LGA    N     7_B      N     7_B     2.404     0    0.188   1.022     3.619   70.000   70.417
LGA    E     8_B      E     8_B     0.279     0    0.180   0.800     4.935   90.595   67.619
LGA    I     9_B      I     9_B     0.710     0    0.056   0.125     1.450   92.857   88.274
LGA    V    10_B      V    10_B     0.827     0    0.074   0.073     1.036   88.214   89.184
LGA    I    11_B      I    11_B     0.741     0    0.014   0.214     0.946   90.476   90.476
LGA    T    12_B      T    12_B     1.319     0    0.183   1.215     2.538   81.429   74.354
LGA    K    13_B      K    13_B     1.043     0    0.142   0.942     2.793   81.429   78.783
LGA    S    14_B      S    14_B     1.385     0    0.140   0.147     2.006   77.262   77.222
LGA    K    15_B      K    15_B     0.375     0    0.132   0.601     3.110   95.238   85.450
LGA    R    16_B      R    16_B     0.521     0    0.083   0.998     3.662   95.238   78.874
LGA    I    17_B      I    17_B     0.314     0    0.108   0.696     2.729  100.000   93.452
LGA    E    18_B      E    18_B     0.324     0    0.064   1.304     4.499  100.000   83.492
LGA    D    19_B      D    19_B     0.465     0    0.044   0.245     0.944  100.000   95.238
LGA    Y    20_B      Y    20_B     0.540     0    0.060   1.587     7.632   92.857   62.421
LGA    V    21_B      V    21_B     0.393     0    0.025   0.056     0.620  100.000   97.279
LGA    L    22_B      L    22_B     0.411     0    0.035   0.145     1.514   97.619   89.583
LGA    D    23_B      D    23_B     0.520     0    0.005   0.140     1.434   97.619   90.655
LGA    T    24_B      T    24_B     0.578     0    0.051   0.042     0.890   90.476   90.476
LGA    I    25_B      I    25_B     0.584     0    0.053   0.195     1.159   95.238   90.595
LGA    I    26_B      I    26_B     0.510     0    0.045   0.116     0.878   92.857   94.048
LGA    L    27_B      L    27_B     0.643     0    0.042   0.160     1.154   90.476   89.345
LGA    F    28_B      F    28_B     0.788     0    0.026   0.120     1.598   85.952   83.983
LGA    N    29_B      N    29_B     1.665     0    0.047   1.407     5.815   72.976   57.619
LGA    Q    30_B      Q    30_B     2.082     0    0.171   0.642     3.484   61.190   65.873
LGA    G    31_B      G    31_B     2.147     0    0.124   0.124     2.147   75.119   75.119
LGA    Y    32_B      Y    32_B     0.987     0    0.088   0.131     2.889   92.976   76.310
LGA    E    33_B      E    33_B     0.669     0    0.057   0.626     2.194   92.857   83.810
LGA    E    34_B      E    34_B     0.324     0    0.077   0.891     2.938  100.000   84.392
LGA    V    35_B      V    35_B     0.551     0    0.083   0.102     0.994   97.619   94.558
LGA    E    36_B      E    36_B     0.420     0    0.027   0.231     1.612  100.000   91.746
LGA    I    37_B      I    37_B     0.231     0    0.061   1.366     3.040  100.000   83.036
LGA    R    38_B      R    38_B     0.437     0    0.063   0.878     4.385   97.619   80.043
LGA    G    39_B      G    39_B     0.405     0    0.039   0.039     0.768   95.238   95.238
LGA    S    40_B      S    40_B     0.902     0    0.073   0.156     1.427   90.476   87.460
LGA    G    41_B      G    41_B     0.341     0    0.000   0.000     0.552   95.238   95.238
LGA    Q    42_B      Q    42_B     0.595     0    0.088   1.265     6.085   95.238   68.413
LGA    E    43_B      E    43_B     0.422     0    0.086   0.898     3.894  100.000   79.524
LGA    I    44_B      I    44_B     0.378     0    0.052   0.089     0.531   97.619   98.810
LGA    N    45_B      N    45_B     0.408     0    0.047   0.904     3.890  100.000   81.310
LGA    K    46_B      K    46_B     0.200     0    0.037   1.008     5.974  100.000   75.873
LGA    A    47_B      A    47_B     0.247     0    0.000   0.000     0.353  100.000  100.000
LGA    I    48_B      I    48_B     0.326     0    0.020   0.116     0.471  100.000  100.000
LGA    E    49_B      E    49_B     0.328     0    0.028   0.675     2.117  100.000   87.037
LGA    V    50_B      V    50_B     0.263     0    0.056   0.056     0.276  100.000  100.000
LGA    Y    51_B      Y    51_B     0.469     0    0.092   0.841     4.568  100.000   75.595
LGA    N    52_B      N    52_B     0.464     0    0.028   0.167     0.923   97.619   94.048
LGA    Q    53_B      Q    53_B     0.241     0    0.035   0.459     1.219  100.000   96.878
LGA    L    54_B      L    54_B     0.308     0    0.000   0.142     0.718  100.000   98.810
LGA    V    55_B      V    55_B     0.558     0    0.032   0.099     0.972   92.857   91.837
LGA    D    56_B      D    56_B     0.544     0    0.057   0.802     3.209   95.238   79.524
LGA    R    57_B      R    57_B     0.564     0    0.000   1.684     9.200   95.238   55.238
LGA    L    58_B      L    58_B     0.226     0    0.106   0.844     2.663   92.976   84.226
LGA    K    59_B      K    59_B     0.584     0    0.056   1.128     3.598   90.476   76.296
LGA    E    60_B      E    60_B     0.397     0    0.107   0.783     3.066   97.619   84.709
LGA    G    61_B      G    61_B     0.412     0    0.011   0.011     0.745   97.619   97.619
LGA    V    62_B      V    62_B     0.426     0    0.126   0.872     2.704   90.595   82.109
LGA    R    63_B      R    63_B     0.373     0    0.016   0.813     3.783  100.000   80.996
LGA    L    64_B      L    64_B     0.626     0    0.057   0.121     1.891   90.595   82.798
LGA    E    65_B      E    65_B     0.529     0    0.117   0.799     1.580   90.595   88.624
LGA    K    66_B      K    66_B     0.458     0    0.142   1.059     5.985  100.000   74.815
LGA    V    67_B      V    67_B     0.290     0    0.091   0.109     0.685   97.619   98.639
LGA    D    68_B      D    68_B     0.274     0    0.102   0.862     3.014   95.238   81.607
LGA    I    69_B      I    69_B     0.546     0    0.112   1.083     2.937   95.238   80.357
LGA    G    70_B      G    70_B     1.134     0    0.096   0.096     1.228   83.690   83.690
LGA    S    71_B      S    71_B     0.470     0    0.162   0.557     1.713   88.452   87.778
LGA    E    72_B      E    72_B     0.734     0    0.109   0.504     3.653   90.476   74.974
LGA    V    73_B      V    73_B     1.244     0    0.093   0.126     2.544   75.476   74.422
LGA    K    74_B      K    74_B     1.177     0    0.093   0.788     2.083   85.952   81.746
LGA    D    75_B      D    75_B     1.134     0    0.591   0.608     2.502   79.524   72.202
LGA    R    76_B      R    76_B     2.222     0    0.127   1.167     4.737   75.357   54.589
LGA    R    77_B      R    77_B     1.174     0    0.065   1.120     4.859   83.690   68.745
LGA    R    78_B      R    78_B     0.560     0    0.061   1.238     6.195   92.857   68.745
LGA    I    79_B      I    79_B     0.861     0    0.089   1.166     2.703   90.476   78.750
LGA    S    80_B      S    80_B     0.815     0    0.120   0.729     2.494   92.857   86.270
LGA    Y    81_B      Y    81_B     0.705     0    0.067   0.070     1.966   88.214   82.302
LGA    I    82_B      I    82_B     0.520     0    0.046   0.126     0.864   95.238   92.857
LGA    L    83_B      L    83_B     0.291     0    0.000   0.109     0.942   97.619   95.238
LGA    L    84_B      L    84_B     0.442     0    0.083   0.165     0.828   95.238   95.238
LGA    R    85_B      R    85_B     0.388     0    0.015   1.004     4.163   97.619   81.905
LGA    L    86_B      L    86_B     0.406     0    0.083   1.348     3.136  100.000   83.810
LGA    K    87_B      K    87_B     0.492     0    0.063   0.834     4.653   95.238   74.392
LGA    R    88_B      R    88_B     0.343     0    0.043   1.109     3.043   92.976   82.251
LGA    I    89_B      I    89_B     0.995     0    0.641   0.790     3.668   74.286   78.036
LGA    Y    90_B      Y    90_B     1.348     0    0.061   1.081    10.603   54.762   30.675

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       86     344    344  100.00     717    717  100.00                86
SUMMARY(RMSD_GDC):     1.283          1.374                  2.196           90.097   81.274

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   90   86    4.0     85    1.01    94.477    97.312     7.641

LGA_LOCAL      RMSD:   1.012  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.293  Number of assigned atoms:   86 
Std_ASGN_ATOMS RMSD:   1.283  Standard rmsd on all 86 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.017689 * X  +  -0.641692 * Y  +  -0.766758 * Z  + -201.644897
  Y_new =  -0.570214 * X  +  -0.623465 * Y  +   0.534927 * Z  + -197.488037
  Z_new =  -0.821306 * X  +   0.446678 * Y  +  -0.354873 * Z  +  64.931999 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.601808  0.963696  2.242157   [DEG:  -91.7769   55.2157  128.4661 ]
ZXZ: -2.179942  1.933575 -1.072677   [DEG: -124.9015  110.7857  -61.4598 ]
 
# END of job
