
#######################################################
#                                                     #
#                        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  107 (  868),  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        1.98     1.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.98     1.98
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50       1_A - 50_A        0.91     2.18
  LONGEST_CONTINUOUS_SEGMENT:    50       2_A - 51_A        0.95     2.14
  LCS_AVERAGE:     45.23

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     50   90   90      5   10   54   71   80   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     50   90   90     41   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     50   90   90     20   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     50   90   90     14   51   78   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     50   90   90     14   56   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     50   90   90     16   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     50   90   90     38   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     50   90   90     27   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     50   90   90     23   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     50   90   90     15   66   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     50   90   90     22   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     50   90   90     27   68   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     50   90   90     32   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     50   90   90     41   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     50   90   90     43   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     50   90   90     40   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     50   90   90     40   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     50   90   90     41   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     50   90   90     42   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     50   90   90     12   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     50   90   90     14   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     50   90   90     35   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     50   90   90     32   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     50   90   90     32   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     50   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     50   90   90     34   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     50   90   90     26   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     50   90   90      5   48   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     50   90   90      5   12   32   68   79   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A      8   90   90      5    7   19   39   71   80   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A      5   90   90      5    5    5   11   16   26   37   48   80   86   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A      3   90   90      3    3    5    9   18   32   58   84   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A      3   90   90      3    3   14   23   38   51   79   84   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      3   90   90      3    3    4    5    9   24   38   47   80   86   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      3   90   90      0    3    6   31   58   78   82   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   90   90      4   59   76   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   90   90      4    4   71   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   90   90     27   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   90   90     10   66   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   90   90      4   66   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   90   90     42   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   90   90     13   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   90   90     36   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   90   90     45   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   90   90     37   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   90   90     34   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   90   90     27   69   79   82   82   83   84   86   88   88   90   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  81.74  (  45.23  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     45     69     79     82     82     83     84     86     88     88     90     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  50.00  76.67  87.78  91.11  91.11  92.22  93.33  95.56  97.78  97.78 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.53   0.68   0.75   0.75   0.85   0.97   1.28   1.60   1.60   1.98   1.98   1.98   1.98   1.98   1.98   1.98   1.98   1.98   1.98
GDT RMS_ALL_AT   2.21   2.16   2.16   2.17   2.17   2.16   2.13   2.05   2.00   2.00   1.98   1.98   1.98   1.98   1.98   1.98   1.98   1.98   1.98   1.98

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  D    23_A      D    23_A
#   possible swapping detected:  Y    27_A      Y    27_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  Y    52_A      Y    52_A
#   possible swapping detected:  D    60_A      D    60_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     3.656     0    0.647   1.251     9.316   47.500   35.893
LGA    L     2_A      L     2_A     0.553     0    0.312   1.115     2.734   90.833   83.333
LGA    F     3_A      F     3_A     0.958     0    0.199   0.293     1.445   85.952   83.074
LGA    E     4_A      E     4_A     1.578     0    0.222   0.992     2.558   72.857   74.127
LGA    G     5_A      G     5_A     2.041     0    0.089   0.089     2.041   70.833   70.833
LGA    D     6_A      D     6_A     1.995     0    0.122   0.924     3.865   77.381   63.869
LGA    K     7_A      K     7_A     1.268     0    0.104   1.297     3.681   79.286   73.386
LGA    F     8_A      F     8_A     0.796     0    0.084   0.099     1.055   88.214   88.009
LGA    V     9_A      V     9_A     0.579     0    0.068   1.310     2.998   90.476   83.401
LGA    G    10_A      G    10_A     0.646     0    0.024   0.024     0.992   90.476   90.476
LGA    S    11_A      S    11_A     1.296     0    0.073   0.142     1.656   85.952   81.587
LGA    F    12_A      F    12_A     0.861     0    0.025   0.165     1.158   88.214   89.654
LGA    E    13_A      E    13_A     1.148     0    0.037   0.904     2.866   81.429   75.873
LGA    N    14_A      N    14_A     0.933     0    0.085   0.234     1.049   88.214   90.536
LGA    A    15_A      A    15_A     0.152     0    0.118   0.123     0.482  100.000  100.000
LGA    A    16_A      A    16_A     0.295     0    0.019   0.020     0.533  100.000   98.095
LGA    A    17_A      A    17_A     0.611     0    0.031   0.031     0.734   92.857   92.381
LGA    G    18_A      G    18_A     0.621     0    0.038   0.038     0.628   90.476   90.476
LGA    T    19_A      T    19_A     0.508     0    0.032   0.046     0.658   95.238   93.197
LGA    F    20_A      F    20_A     0.344     0    0.030   0.206     0.820  100.000   96.537
LGA    V    21_A      V    21_A     0.481     0    0.038   0.053     0.572  100.000   97.279
LGA    L    22_A      L    22_A     0.380     0    0.088   1.167     3.538  100.000   84.940
LGA    D    23_A      D    23_A     0.391     0    0.030   0.628     1.493   95.238   90.595
LGA    M    24_A      M    24_A     0.459     0    0.034   0.136     0.701   97.619   96.429
LGA    Y    25_A      Y    25_A     0.404     0    0.028   1.140     8.264   95.238   61.865
LGA    A    26_A      A    26_A     0.482     0    0.025   0.035     0.544  100.000   98.095
LGA    Y    27_A      Y    27_A     0.263     0    0.021   0.265     1.070  100.000   96.071
LGA    E    28_A      E    28_A     0.687     0    0.026   0.321     1.543   90.476   86.508
LGA    R    29_A      R    29_A     0.807     0    0.018   1.090     5.021   90.476   64.675
LGA    L    30_A      L    30_A     0.594     0    0.064   0.092     0.984   90.476   91.667
LGA    A    31_A      A    31_A     0.507     0    0.066   0.076     0.528   92.857   94.286
LGA    N    32_A      N    32_A     1.000     0    0.053   1.130     2.597   83.690   79.702
LGA    S    33_A      S    33_A     1.098     0    0.034   0.063     1.384   85.952   84.444
LGA    I    34_A      I    34_A     0.445     0    0.132   1.039     4.576   97.619   81.369
LGA    S    35_A      S    35_A     0.635     0    0.035   0.687     2.353   90.476   86.190
LGA    T    36_A      T    36_A     0.613     0    0.069   1.112     2.956   90.476   83.197
LGA    E    37_A      E    37_A     0.737     0    0.048   1.251     5.037   90.476   70.952
LGA    K    38_A      K    38_A     0.814     0    0.059   0.868     6.636   90.476   64.497
LGA    L    39_A      L    39_A     0.782     0    0.061   0.133     0.956   90.476   90.476
LGA    R    40_A      R    40_A     0.901     0    0.018   0.780     5.194   90.476   73.896
LGA    Q    41_A      Q    41_A     0.712     0    0.025   0.958     2.383   90.476   85.661
LGA    Y    42_A      Y    42_A     0.704     0    0.049   0.307     1.309   90.476   86.706
LGA    A    43_A      A    43_A     0.553     0    0.034   0.037     0.634   90.476   92.381
LGA    S    44_A      S    44_A     0.548     0    0.031   0.038     0.574   90.476   92.063
LGA    T    45_A      T    45_A     0.604     0    0.025   1.130     2.841   92.857   84.558
LGA    Y    46_A      Y    46_A     0.393     0    0.033   0.073     0.549   95.238   98.413
LGA    N    47_A      N    47_A     0.563     0    0.054   0.783     2.776   90.476   86.310
LGA    K    48_A      K    48_A     0.504     0    0.055   0.650     1.344   92.857   88.519
LGA    Y    49_A      Y    49_A     0.617     0    0.055   0.150     1.302   88.214   89.722
LGA    K    50_A      K    50_A     1.324     0    0.027   1.242     7.002   71.667   61.111
LGA    Y    51_A      Y    51_A     3.919     0    0.117   0.304     5.861   38.333   41.786
LGA    Y    52_A      Y    52_A     4.745     0    0.040   0.177     6.796   24.762   24.762
LGA    S    53_A      S    53_A     8.549     0    0.548   0.825    11.963    7.500    5.000
LGA    G    54_A      G    54_A     6.305     0    0.464   0.464     7.101   14.405   14.405
LGA    S    55_A      S    55_A     7.044     0    0.076   0.625     8.268    8.810    8.333
LGA    A    56_A      A    56_A     8.678     0    0.756   0.690     9.527    6.905    5.619
LGA    S    57_A      S    57_A     5.957     0    0.676   0.795     8.446   27.976   21.111
LGA    E    58_A      E    58_A     1.971     0    0.576   1.354    10.530   70.833   37.513
LGA    A    59_A      A    59_A     1.690     0    0.090   0.095     2.080   75.000   72.952
LGA    D    60_A      D    60_A     0.595     0    0.280   0.961     2.798   95.238   81.190
LGA    Y    61_A      Y    61_A     1.264     0    0.025   0.214     1.733   83.690   77.183
LGA    R    62_A      R    62_A     1.489     0    0.044   1.398     6.524   81.429   58.831
LGA    L    63_A      L    63_A     0.837     0    0.015   1.063     3.638   90.476   82.321
LGA    A    64_A      A    64_A     0.254     0    0.078   0.080     0.536   97.619   98.095
LGA    C    65_A      C    65_A     0.453     0    0.058   0.071     0.618   97.619   95.238
LGA    F    66_A      F    66_A     0.706     0    0.031   0.097     1.127   90.476   88.831
LGA    A    67_A      A    67_A     0.548     0    0.015   0.015     0.603   95.238   94.286
LGA    H    68_A      H    68_A     0.477     0    0.009   0.786     3.812  100.000   76.429
LGA    L    69_A      L    69_A     0.463     0    0.043   0.304     1.117  100.000   97.679
LGA    A    70_A      A    70_A     0.473     0    0.032   0.038     0.508   97.619   98.095
LGA    K    71_A      K    71_A     0.356     0    0.013   0.674     1.783  100.000   93.862
LGA    A    72_A      A    72_A     0.457     0    0.049   0.052     0.518   97.619   96.190
LGA    M    73_A      M    73_A     0.635     0    0.013   0.155     0.635   90.476   92.857
LGA    M    74_A      M    74_A     0.555     0    0.040   0.646     1.656   95.238   91.845
LGA    D    75_A      D    75_A     0.385     0    0.045   0.181     0.720   95.238   96.429
LGA    Y    76_A      Y    76_A     0.552     0    0.018   0.671     1.823   92.857   87.619
LGA    A    77_A      A    77_A     0.618     0    0.044   0.057     0.804   90.476   90.476
LGA    S    78_A      S    78_A     0.716     0    0.135   0.591     1.726   88.214   86.032
LGA    N    79_A      N    79_A     0.186     0    0.666   1.409     5.040   91.190   70.357
LGA    H    80_A      H    80_A     0.694     0    0.125   0.883     2.232   88.214   87.286
LGA    N    81_A      N    81_A     0.654     0    0.061   0.199     0.687   90.476   92.857
LGA    D    82_A      D    82_A     0.297     0    0.055   0.117     0.591  100.000   98.810
LGA    T    83_A      T    83_A     0.399     0    0.029   0.067     0.559  100.000   98.639
LGA    L    84_A      L    84_A     0.579     0    0.026   0.090     1.220   92.857   90.536
LGA    Y    85_A      Y    85_A     0.509     0    0.025   0.046     0.565   90.476   90.476
LGA    T    86_A      T    86_A     0.627     0    0.014   0.098     0.950   90.476   90.476
LGA    P    87_A      P    87_A     0.494     0    0.049   0.087     0.780   92.857   93.197
LGA    P    88_A      P    88_A     0.857     0    0.121   0.212     1.169   90.476   89.184
LGA    T    89_A      T    89_A     0.658     0    0.065   1.208     3.136   95.238   83.742
LGA    V    90_A      V    90_A     0.999     0    0.053   0.207     1.493   88.214   85.306

# 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):     1.978          1.962                  2.378           84.849   79.813

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107   90    4.0     86    1.28    90.833    94.742     6.223

LGA_LOCAL      RMSD:   1.282  Number of atoms:   86  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.052  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.978  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.796192 * X  +   0.588983 * Y  +  -0.138483 * Z  + -11.898334
  Y_new =   0.604858 * X  +  -0.769134 * Y  +   0.206349 * Z  +  46.648331
  Z_new =   0.015024 * X  +  -0.248056 * Y  +  -0.968629 * Z  +  11.828291 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.649673 -0.015025 -2.890891   [DEG:   37.2235   -0.8609 -165.6358 ]
ZXZ: -2.550521  2.890450  3.081098   [DEG: -146.1341  165.6106  176.5339 ]
 
# END of job
