
#######################################################
#                                                     #
#                        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        1.77     1.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       1_A - 90_A        1.77     1.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    50       2_A - 51_A        0.91     1.86
  LONGEST_CONTINUOUS_SEGMENT:    50       3_A - 52_A        0.98     1.83
  LCS_AVERAGE:     45.53

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      3   90   90      3    3   17   24   31   51   72   84   87   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L     2_A     L     2_A     50   90   90      5   17   57   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     3_A     F     3_A     50   90   90      5   46   77   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E     4_A     E     4_A     50   90   90      7   70   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G     5_A     G     5_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D     6_A     D     6_A     50   90   90     24   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K     7_A     K     7_A     50   90   90     33   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F     8_A     F     8_A     50   90   90     33   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V     9_A     V     9_A     50   90   90      8   62   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    10_A     G    10_A     50   90   90     17   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    11_A     S    11_A     50   90   90     17   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    12_A     F    12_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    13_A     E    13_A     50   90   90     45   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    14_A     N    14_A     50   90   90     47   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    15_A     A    15_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    16_A     A    16_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    17_A     A    17_A     50   90   90     47   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    18_A     G    18_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    19_A     T    19_A     50   90   90     46   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    20_A     F    20_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    21_A     V    21_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    22_A     L    22_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    23_A     D    23_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    24_A     M    24_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    25_A     Y    25_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    26_A     A    26_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    27_A     Y    27_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    28_A     E    28_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    29_A     R    29_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    30_A     L    30_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    31_A     A    31_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    32_A     N    32_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    33_A     S    33_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     I    34_A     I    34_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    35_A     S    35_A     50   90   90     45   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    36_A     T    36_A     50   90   90     25   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    37_A     E    37_A     50   90   90     26   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    38_A     K    38_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    39_A     L    39_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    40_A     R    40_A     50   90   90     43   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Q    41_A     Q    41_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    42_A     Y    42_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    43_A     A    43_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    44_A     S    44_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    45_A     T    45_A     50   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    46_A     Y    46_A     50   90   90     52   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    47_A     N    47_A     50   90   90     47   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    48_A     K    48_A     50   90   90     45   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    49_A     Y    49_A     50   90   90     38   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    50_A     K    50_A     50   90   90      8   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    51_A     Y    51_A     50   90   90      4   10   37   77   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    52_A     Y    52_A     50   90   90      4   10   31   69   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    53_A     S    53_A     12   90   90      4    9   17   29   52   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     G    54_A     G    54_A     12   90   90      4   10   19   33   62   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    55_A     S    55_A     12   90   90      3   10   19   26   43   69   85   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    56_A     A    56_A      6   90   90      3    4    6   15   33   50   85   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    57_A     S    57_A      4   90   90      3    3    6   43   72   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     E    58_A     E    58_A     33   90   90      4    4   24   70   81   82   84   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    59_A     A    59_A     33   90   90      4    4   43   76   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    60_A     D    60_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    61_A     Y    61_A     33   90   90     43   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     R    62_A     R    62_A     33   90   90     42   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    63_A     L    63_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    64_A     A    64_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     C    65_A     C    65_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     F    66_A     F    66_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    67_A     A    67_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    68_A     H    68_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    69_A     L    69_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    70_A     A    70_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     K    71_A     K    71_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    72_A     A    72_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    73_A     M    73_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     M    74_A     M    74_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    75_A     D    75_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    76_A     Y    76_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     A    77_A     A    77_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     S    78_A     S    78_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    79_A     N    79_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     H    80_A     H    80_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     N    81_A     N    81_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     D    82_A     D    82_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    83_A     T    83_A     33   90   90     21   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     L    84_A     L    84_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     Y    85_A     Y    85_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    86_A     T    86_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    87_A     P    87_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     P    88_A     P    88_A     33   90   90     53   74   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     T    89_A     T    89_A     33   90   90     24   68   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_GDT     V    90_A     V    90_A     33   90   90     12   47   78   79   81   83   86   87   88   90   90   90   90   90   90   90   90   90   90   90 
LCS_AVERAGE  LCS_A:  81.84  (  45.53  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     53     74     78     79     81     83     86     87     88     90     90     90     90     90     90     90     90     90     90     90 
GDT PERCENT_AT  58.89  82.22  86.67  87.78  90.00  92.22  95.56  96.67  97.78 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.49   0.62   0.65   0.77   0.95   1.32   1.36   1.49   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77
GDT RMS_ALL_AT   1.99   1.96   1.92   1.91   1.90   1.85   1.78   1.79   1.78   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77   1.77

# Checking swapping
#   possible swapping detected:  F     3_A      F     3_A
#   possible swapping detected:  D     6_A      D     6_A
#   possible swapping detected:  F     8_A      F     8_A
#   possible swapping detected:  E    13_A      E    13_A
#   possible swapping detected:  Y    46_A      Y    46_A
#   possible swapping detected:  Y    52_A      Y    52_A
#   possible swapping detected:  E    58_A      E    58_A
#   possible swapping detected:  D    60_A      D    60_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  D    75_A      D    75_A
#   possible swapping detected:  Y    85_A      Y    85_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     1_A      M     1_A     7.257     0    0.263   1.107    13.417   11.905    7.202
LGA    L     2_A      L     2_A     2.527     0    0.530   1.175     5.463   57.500   58.631
LGA    F     3_A      F     3_A     1.746     0    0.192   0.208     2.541   66.905   70.779
LGA    E     4_A      E     4_A     0.891     0    0.072   0.744     3.036   85.952   70.952
LGA    G     5_A      G     5_A     1.287     0    0.076   0.076     1.344   83.690   83.690
LGA    D     6_A      D     6_A     1.541     0    0.058   0.829     4.599   79.286   64.345
LGA    K     7_A      K     7_A     1.025     0    0.021   1.152     4.406   85.952   73.122
LGA    F     8_A      F     8_A     0.654     0    0.064   0.110     1.216   88.214   89.654
LGA    V     9_A      V     9_A     1.332     0    0.364   0.928     2.940   73.214   70.884
LGA    G    10_A      G    10_A     0.823     0    0.063   0.063     1.050   88.214   88.214
LGA    S    11_A      S    11_A     0.676     0    0.050   0.640     2.158   90.476   86.190
LGA    F    12_A      F    12_A     0.315     0    0.027   0.082     0.507   97.619   99.134
LGA    E    13_A      E    13_A     0.921     0    0.022   0.631     3.375   88.214   79.048
LGA    N    14_A      N    14_A     1.023     0    0.011   0.301     1.391   83.690   84.821
LGA    A    15_A      A    15_A     0.722     0    0.129   0.150     0.732   90.476   90.476
LGA    A    16_A      A    16_A     0.584     0    0.016   0.035     0.857   90.476   90.476
LGA    A    17_A      A    17_A     1.123     0    0.023   0.039     1.364   83.690   83.238
LGA    G    18_A      G    18_A     0.974     0    0.100   0.100     1.031   88.214   88.214
LGA    T    19_A      T    19_A     0.590     0    0.022   0.161     0.889   90.476   91.837
LGA    F    20_A      F    20_A     0.416     0    0.020   0.115     0.537  100.000   99.134
LGA    V    21_A      V    21_A     0.514     0    0.007   0.045     0.743   97.619   94.558
LGA    L    22_A      L    22_A     0.312     0    0.032   0.093     0.540   97.619   98.810
LGA    D    23_A      D    23_A     0.435     0    0.049   0.235     1.048   97.619   91.786
LGA    M    24_A      M    24_A     0.477     0    0.108   0.645     2.489   95.238   84.405
LGA    Y    25_A      Y    25_A     0.679     0    0.009   0.075     1.027   90.476   89.722
LGA    A    26_A      A    26_A     0.510     0    0.050   0.065     0.630   92.857   94.286
LGA    Y    27_A      Y    27_A     0.471     0    0.031   0.346     1.513   95.238   89.127
LGA    E    28_A      E    28_A     0.786     0    0.017   0.744     3.694   90.476   72.540
LGA    R    29_A      R    29_A     0.750     0    0.012   1.795     7.739   90.476   59.048
LGA    L    30_A      L    30_A     0.488     0    0.049   0.065     0.612   97.619   97.619
LGA    A    31_A      A    31_A     0.514     0    0.029   0.041     0.518   95.238   96.190
LGA    N    32_A      N    32_A     0.355     0    0.150   0.148     0.977   97.619   96.429
LGA    S    33_A      S    33_A     0.202     0    0.115   0.122     0.325  100.000  100.000
LGA    I    34_A      I    34_A     0.492     0    0.085   0.208     1.024   95.238   94.107
LGA    S    35_A      S    35_A     0.514     0    0.075   0.150     0.544   95.238   96.825
LGA    T    36_A      T    36_A     0.808     0    0.024   0.037     0.921   90.476   90.476
LGA    E    37_A      E    37_A     0.974     0    0.034   1.021     3.277   90.476   75.556
LGA    K    38_A      K    38_A     0.612     0    0.032   0.978     4.026   90.476   77.249
LGA    L    39_A      L    39_A     0.609     0    0.037   0.144     0.783   90.476   90.476
LGA    R    40_A      R    40_A     0.794     0    0.027   0.507     1.523   90.476   87.229
LGA    Q    41_A      Q    41_A     0.753     0    0.015   1.107     4.027   90.476   80.635
LGA    Y    42_A      Y    42_A     0.696     0    0.019   0.099     0.859   90.476   92.063
LGA    A    43_A      A    43_A     0.800     0    0.023   0.022     0.838   90.476   90.476
LGA    S    44_A      S    44_A     0.780     0    0.122   0.595     2.434   88.214   84.683
LGA    T    45_A      T    45_A     0.627     0    0.112   0.166     0.705   90.476   91.837
LGA    Y    46_A      Y    46_A     0.811     0    0.008   0.043     0.920   90.476   94.444
LGA    N    47_A      N    47_A     0.551     0    0.020   0.345     1.865   95.238   91.845
LGA    K    48_A      K    48_A     0.430     0    0.031   0.734     2.592  100.000   93.122
LGA    Y    49_A      Y    49_A     0.637     0    0.175   0.258     1.442   88.214   89.722
LGA    K    50_A      K    50_A     0.950     0    0.051   0.148     2.438   79.643   85.661
LGA    Y    51_A      Y    51_A     3.023     0    0.148   0.106     4.288   54.048   45.873
LGA    Y    52_A      Y    52_A     3.361     0    0.189   0.160     4.938   46.667   41.468
LGA    S    53_A      S    53_A     4.854     0    0.352   0.372     7.226   25.000   25.476
LGA    G    54_A      G    54_A     4.846     0    0.035   0.035     5.099   31.548   31.548
LGA    S    55_A      S    55_A     5.973     0    0.303   0.751     8.992   21.429   16.984
LGA    A    56_A      A    56_A     6.186     0    0.551   0.498     6.825   22.976   21.048
LGA    S    57_A      S    57_A     4.610     0    0.650   0.616     7.502   39.524   30.397
LGA    E    58_A      E    58_A     3.495     0    0.646   1.160    12.367   55.476   27.619
LGA    A    59_A      A    59_A     2.569     0    0.119   0.133     2.964   62.976   61.810
LGA    D    60_A      D    60_A     0.873     0    0.275   0.934     2.554   88.214   78.631
LGA    Y    61_A      Y    61_A     1.175     0    0.050   0.198     1.269   83.690   83.690
LGA    R    62_A      R    62_A     1.252     0    0.032   1.306     6.618   81.429   55.065
LGA    L    63_A      L    63_A     0.987     0    0.027   0.981     3.316   88.214   82.024
LGA    A    64_A      A    64_A     0.783     0    0.011   0.018     0.843   90.476   90.476
LGA    C    65_A      C    65_A     0.846     0    0.048   0.090     0.876   90.476   90.476
LGA    F    66_A      F    66_A     0.767     0    0.031   0.104     1.053   90.476   88.831
LGA    A    67_A      A    67_A     0.571     0    0.015   0.032     0.689   95.238   94.286
LGA    H    68_A      H    68_A     0.516     0    0.016   0.045     0.648   95.238   92.381
LGA    L    69_A      L    69_A     0.403     0    0.038   0.066     0.477  100.000  100.000
LGA    A    70_A      A    70_A     0.319     0    0.005   0.008     0.392  100.000  100.000
LGA    K    71_A      K    71_A     0.335     0    0.020   0.701     2.992  100.000   95.238
LGA    A    72_A      A    72_A     0.339     0    0.060   0.070     0.395  100.000  100.000
LGA    M    73_A      M    73_A     0.392     0    0.028   0.077     0.492  100.000  100.000
LGA    M    74_A      M    74_A     0.289     0    0.077   0.812     2.583  100.000   93.452
LGA    D    75_A      D    75_A     0.083     0    0.011   0.850     3.303  100.000   86.964
LGA    Y    76_A      Y    76_A     0.163     0    0.035   0.144     1.007  100.000   94.484
LGA    A    77_A      A    77_A     0.313     0    0.026   0.026     0.563   97.619   98.095
LGA    S    78_A      S    78_A     0.545     0    0.032   0.562     1.946   92.857   89.127
LGA    N    79_A      N    79_A     0.499     0    0.013   1.207     4.576   95.238   80.060
LGA    H    80_A      H    80_A     0.667     0    0.071   0.554     1.885   90.476   82.524
LGA    N    81_A      N    81_A     0.632     0    0.041   1.358     3.609   90.476   77.321
LGA    D    82_A      D    82_A     0.343     0    0.026   0.281     1.142   97.619   95.298
LGA    T    83_A      T    83_A     0.817     0    0.089   0.974     2.813   92.857   84.490
LGA    L    84_A      L    84_A     0.482     0    0.119   0.114     1.497   95.238   89.464
LGA    Y    85_A      Y    85_A     0.500     0    0.032   0.058     0.661   92.857   93.651
LGA    T    86_A      T    86_A     0.654     0    0.071   0.983     2.633   90.476   84.422
LGA    P    87_A      P    87_A     0.754     0    0.065   0.300     1.119   88.214   87.891
LGA    P    88_A      P    88_A     1.211     0    0.028   0.239     1.466   85.952   85.306
LGA    T    89_A      T    89_A     1.500     0    0.037   0.204     3.620   83.810   72.585
LGA    V    90_A      V    90_A     1.455     0    0.190   0.350     3.047   75.119   69.728

# 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):     1.767          1.747                  2.235           84.897   80.657

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  107   90    4.0     87    1.36    91.667    95.073     5.948

LGA_LOCAL      RMSD:   1.363  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.789  Number of assigned atoms:   90 
Std_ASGN_ATOMS RMSD:   1.767  Standard rmsd on all 90 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.804988 * X  +   0.013880 * Y  +   0.593128 * Z  + -13.041003
  Y_new =   0.215213 * X  +   0.938465 * Y  +   0.270123 * Z  +  24.423357
  Z_new =  -0.552881 * X  +   0.345095 * Y  +  -0.758441 * Z  +  -2.073885 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.880354  0.585818  2.714584   [DEG:  165.0321   33.5649  155.5342 ]
ZXZ:  1.998150  2.431713 -1.012790   [DEG:  114.4855  139.3269  -58.0286 ]
 
# END of job
