
#######################################################
#                                                     #
#                        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   99 (  788),  selected   90 , name one
# Molecule2: number of CA atoms   90 (  715),  selected   90 , 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:    90       1_A - 90_A        1.86     1.86
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.86     1.86
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    45       6_A - 50_A        0.98     2.04
  LONGEST_CONTINUOUS_SEGMENT:    45       7_A - 51_A        0.96     1.93
  LCS_AVERAGE:     41.01

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   90
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     M     1_A     M     1_A     17   90   90      9   14   52   72   79   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     17   90   90     12   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     17   90   90     10   66   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     17   90   90     24   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     17   90   90      9   16   33   76   80   82   84   85   86   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     45   90   90      9   15   30   49   79   80   83   85   85   87   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     45   90   90      9   16   50   76   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     45   90   90      8   48   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     45   90   90      9   65   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     45   90   90      5    9   71   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     45   90   90     10   65   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     45   90   90     39   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     45   90   90     38   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     45   90   90     22   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     45   90   90      9   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     45   90   90     36   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     45   90   90      9   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     45   90   90      9   66   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     45   90   90     44   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     45   90   90     39   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     45   90   90     39   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     45   90   90     35   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     45   90   90     35   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     45   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     45   90   90     39   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     45   90   90     11   66   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     45   90   90      4   16   48   73   79   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     44   90   90      5   13   35   73   79   81   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A     10   90   90      3    8   17   33   54   78   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A     10   90   90      3    4   10   17   32   54   75   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A      7   90   90      5   10   17   28   44   70   80   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      4   90   90      3    4    6   20   28   39   62   80   84   87   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   90   90      2    3    8   21   65   78   83   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   90   90      4    4    4   53   80   81   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   90   90      4    5   47   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   90   90     46   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   90   90     11   65   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   90   90     12   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   90   90     44   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   90   90     46   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   90   90     48   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   90   90      7   67   74   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   90   90      3   29   72   78   80   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   90   90      3    6   70   78   79   82   84   85   87   88   89   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  80.34  (  41.01  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     48     67     74     78     80     82     84     85     87     88     89     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  53.33  74.44  82.22  86.67  88.89  91.11  93.33  94.44  96.67  97.78  98.89 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.51   0.62   0.77   0.89   1.04   1.14   1.22   1.60   1.64   1.71   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86
GDT RMS_ALL_AT   1.94   1.97   1.96   1.94   2.00   1.94   1.93   1.95   1.87   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86   1.86

# Checking swapping
#   possible swapping detected:  F    12_A      F    12_A
#   possible swapping detected:  F    20_A      F    20_A
#   possible swapping detected:  Y    25_A      Y    25_A
#   possible swapping detected:  Y    27_A      Y    27_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  E    37_A      E    37_A
#   possible swapping detected:  Y    42_A      Y    42_A
#   possible swapping detected:  Y    49_A      Y    49_A
#   possible swapping detected:  Y    51_A      Y    51_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  Y    76_A      Y    76_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     3.337     0    0.312   0.964     4.716   52.738   61.786
LGA    L     2_A      L     2_A     0.996     0    0.124   1.163     2.834   86.071   80.000
LGA    F     3_A      F     3_A     1.228     0    0.065   0.158     2.594   79.286   69.394
LGA    E     4_A      E     4_A     0.700     0    0.478   0.517     1.358   88.214   90.582
LGA    G     5_A      G     5_A     3.003     0    0.077   0.077     3.821   50.119   50.119
LGA    D     6_A      D     6_A     4.023     0    0.197   0.192     5.897   43.452   34.286
LGA    K     7_A      K     7_A     2.779     0    0.031   1.117     5.282   63.333   56.508
LGA    F     8_A      F     8_A     1.583     0    0.047   0.264     2.184   72.976   77.662
LGA    V     9_A      V     9_A     1.251     0    0.520   1.032     3.283   73.690   70.136
LGA    G    10_A      G    10_A     1.846     0    0.017   0.017     2.073   72.976   72.976
LGA    S    11_A      S    11_A     1.251     0    0.024   0.053     1.466   85.952   84.444
LGA    F    12_A      F    12_A     0.638     0    0.017   0.093     0.872   90.476   91.342
LGA    E    13_A      E    13_A     1.035     0    0.013   0.206     2.349   85.952   78.783
LGA    N    14_A      N    14_A     0.794     0    0.024   0.154     0.866   90.476   90.476
LGA    A    15_A      A    15_A     0.301     0    0.135   0.149     0.446  100.000  100.000
LGA    A    16_A      A    16_A     0.218     0    0.057   0.065     0.511   97.619   98.095
LGA    A    17_A      A    17_A     0.558     0    0.019   0.023     0.721   92.857   92.381
LGA    G    18_A      G    18_A     0.614     0    0.043   0.043     0.614   90.476   90.476
LGA    T    19_A      T    19_A     0.532     0    0.086   1.133     3.029   90.476   81.020
LGA    F    20_A      F    20_A     0.507     0    0.026   0.097     0.533   95.238   97.403
LGA    V    21_A      V    21_A     0.464     0    0.037   0.065     0.750   97.619   94.558
LGA    L    22_A      L    22_A     0.492     0    0.141   0.177     0.768   97.619   95.238
LGA    D    23_A      D    23_A     0.445     0    0.020   0.153     0.738   97.619   94.048
LGA    M    24_A      M    24_A     0.236     0    0.009   1.072     5.751  100.000   78.690
LGA    Y    25_A      Y    25_A     0.309     0    0.032   0.057     0.515  100.000   99.206
LGA    A    26_A      A    26_A     0.326     0    0.023   0.025     0.431  100.000  100.000
LGA    Y    27_A      Y    27_A     0.285     0    0.045   0.368     0.966  100.000   95.238
LGA    E    28_A      E    28_A     0.680     0    0.033   0.640     4.268   92.857   68.889
LGA    R    29_A      R    29_A     0.808     0    0.013   1.617     6.690   90.476   57.662
LGA    L    30_A      L    30_A     0.625     0    0.031   0.070     1.476   92.857   88.274
LGA    A    31_A      A    31_A     0.095     0    0.039   0.041     0.262  100.000  100.000
LGA    N    32_A      N    32_A     0.739     0    0.197   0.493     1.659   88.214   86.012
LGA    S    33_A      S    33_A     1.000     0    0.227   0.752     3.190   83.810   79.286
LGA    I    34_A      I    34_A     0.712     0    0.115   0.254     0.874   90.476   90.476
LGA    S    35_A      S    35_A     0.580     0    0.079   0.558     1.938   90.476   87.540
LGA    T    36_A      T    36_A     0.810     0    0.024   0.106     0.970   90.476   90.476
LGA    E    37_A      E    37_A     0.789     0    0.066   0.723     2.782   90.476   84.762
LGA    K    38_A      K    38_A     0.885     0    0.025   1.006     4.607   90.476   73.968
LGA    L    39_A      L    39_A     0.726     0    0.014   1.345     2.754   90.476   79.940
LGA    R    40_A      R    40_A     0.417     0    0.007   0.440     1.713   97.619   89.004
LGA    Q    41_A      Q    41_A     0.410     0    0.026   1.164     4.125  100.000   85.026
LGA    Y    42_A      Y    42_A     0.423     0    0.030   0.092     0.931  100.000   93.651
LGA    A    43_A      A    43_A     0.355     0    0.018   0.017     0.398  100.000  100.000
LGA    S    44_A      S    44_A     0.040     0    0.017   0.070     0.184  100.000  100.000
LGA    T    45_A      T    45_A     0.091     0    0.052   0.087     0.255  100.000  100.000
LGA    Y    46_A      Y    46_A     0.037     0    0.013   0.078     0.857  100.000   96.032
LGA    N    47_A      N    47_A     0.117     0    0.079   0.099     0.628   97.619   97.619
LGA    K    48_A      K    48_A     0.143     0    0.133   1.149     6.129   97.619   73.439
LGA    Y    49_A      Y    49_A     0.780     0    0.191   0.230     1.965   83.810   85.238
LGA    K    50_A      K    50_A     1.200     0    0.025   0.068     2.896   73.452   76.085
LGA    Y    51_A      Y    51_A     3.512     0    0.069   0.075     4.847   47.143   39.563
LGA    Y    52_A      Y    52_A     3.753     0    0.057   0.118     5.474   40.476   37.579
LGA    S    53_A      S    53_A     5.658     0    0.695   0.605     7.513   17.976   17.778
LGA    G    54_A      G    54_A     6.282     0    0.185   0.185     6.282   18.214   18.214
LGA    S    55_A      S    55_A     6.772     0    0.041   0.582     9.606   10.952    9.048
LGA    A    56_A      A    56_A     8.023     0    0.678   0.614     8.753    9.643    8.286
LGA    S    57_A      S    57_A     5.729     0    0.634   0.710     8.628   30.476   22.460
LGA    E    58_A      E    58_A     2.566     0    0.621   1.377    10.745   62.857   32.593
LGA    A    59_A      A    59_A     2.073     0    0.076   0.078     2.261   68.929   68.095
LGA    D    60_A      D    60_A     0.795     0    0.259   0.905     2.531   90.476   79.762
LGA    Y    61_A      Y    61_A     1.235     0    0.041   0.054     1.320   83.690   82.183
LGA    R    62_A      R    62_A     1.212     0    0.034   1.160     9.046   85.952   52.381
LGA    L    63_A      L    63_A     0.479     0    0.015   1.003     3.111   95.238   86.786
LGA    A    64_A      A    64_A     0.272     0    0.013   0.015     0.445  100.000  100.000
LGA    C    65_A      C    65_A     0.408     0    0.021   0.054     0.588  100.000   98.413
LGA    F    66_A      F    66_A     0.496     0    0.029   0.065     1.002   97.619   92.251
LGA    A    67_A      A    67_A     0.251     0    0.025   0.026     0.337  100.000  100.000
LGA    H    68_A      H    68_A     0.183     0    0.307   0.576     1.535   93.214   92.619
LGA    L    69_A      L    69_A     0.363     0    0.039   0.069     0.443  100.000  100.000
LGA    A    70_A      A    70_A     0.365     0    0.023   0.022     0.516   97.619   98.095
LGA    K    71_A      K    71_A     0.252     0    0.012   0.392     1.810  100.000   95.926
LGA    A    72_A      A    72_A     0.244     0    0.034   0.036     0.362  100.000  100.000
LGA    M    73_A      M    73_A     0.494     0    0.032   0.085     0.896   97.619   94.048
LGA    M    74_A      M    74_A     0.501     0    0.056   0.218     1.195   97.619   94.107
LGA    D    75_A      D    75_A     0.280     0    0.047   0.075     0.699   97.619   96.429
LGA    Y    76_A      Y    76_A     0.666     0    0.046   0.203     1.112   92.857   89.762
LGA    A    77_A      A    77_A     0.958     0    0.046   0.048     1.100   88.214   88.667
LGA    S    78_A      S    78_A     0.765     0    0.020   0.664     2.427   90.476   86.190
LGA    N    79_A      N    79_A     0.565     0    0.039   1.170     4.259   90.476   79.405
LGA    H    80_A      H    80_A     0.607     0    0.024   1.153     2.198   90.476   84.476
LGA    N    81_A      N    81_A     0.424     0    0.030   1.114     2.832  100.000   90.060
LGA    D    82_A      D    82_A     0.341     0    0.066   0.141     0.762  100.000   96.429
LGA    T    83_A      T    83_A     0.488     0    0.046   0.087     0.948   97.619   94.558
LGA    L    84_A      L    84_A     0.354     0    0.011   0.058     0.482  100.000  100.000
LGA    Y    85_A      Y    85_A     0.451     0    0.024   0.100     0.710  100.000   96.825
LGA    T    86_A      T    86_A     0.504     0    0.031   0.135     0.809   97.619   95.918
LGA    P    87_A      P    87_A     0.607     0    0.051   0.109     0.773   97.619   95.918
LGA    P    88_A      P    88_A     0.811     0    0.186   0.318     1.104   92.857   89.252
LGA    T    89_A      T    89_A     1.805     0    0.028   1.192     5.076   77.143   64.218
LGA    V    90_A      V    90_A     2.519     0    0.053   1.263     5.116   57.262   50.816

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       90     360    360  100.00     715    715  100.00                90
SUMMARY(RMSD_GDC):     1.860          1.842                  2.253           85.026   80.304

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   99   90    4.0     85    1.22    88.889    93.470     6.431

LGA_LOCAL      RMSD:   1.222  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.948  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.860  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.686304 * X  +   0.709088 * Y  +  -0.161805 * Z  + -19.512245
  Y_new =  -0.701783 * X  +   0.704044 * Y  +   0.108726 * Z  +  10.434942
  Z_new =   0.191014 * X  +   0.038933 * Y  +   0.980815 * Z  +  -9.167935 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.796549 -0.192195  0.039674   [DEG:  -45.6389  -11.0120    2.2731 ]
ZXZ: -2.162453  0.196198  1.369728   [DEG: -123.8994   11.2413   78.4797 ]
 
# END of job
