
#######################################################
#                                                     #
#                        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  123 ( 1008),  selected   93 , name one
# Molecule2: number of CA atoms   93 (  756),  selected   93 , 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:    93      29_A - 121_A       4.20     4.20
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84      29_A - 112_A       1.91     4.60
  LCS_AVERAGE:     82.99

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36      52_A - 87_A        0.98     5.69
  LCS_AVERAGE:     27.89

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   93
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     N    29_A     N    29_A     18   84   93      7   16   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     I    30_A     I    30_A     18   84   93      7   28   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     D    31_A     D    31_A     18   84   93      7   30   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     E    32_A     E    32_A     18   84   93     13   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     I    33_A     I    33_A     18   84   93     11   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     I    34_A     I    34_A     18   84   93      7   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     E    35_A     E    35_A     18   84   93      7   27   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     N    36_A     N    36_A     18   84   93      9   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     R    37_A     R    37_A     18   84   93      7   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     K    38_A     K    38_A     18   84   93     10   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     L    39_A     L    39_A     18   84   93     13   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     L    40_A     L    40_A     18   84   93     13   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     V    41_A     V    41_A     18   84   93     13   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     P    42_A     P    42_A     18   84   93     13   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     Y    43_A     Y    43_A     18   84   93     10   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     I    44_A     I    44_A     18   84   93      9   27   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     K    45_A     K    45_A     18   84   93      9   28   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     C    46_A     C    46_A     18   84   93      9   20   50   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     T    47_A     T    47_A     18   84   93      7   11   24   33   59   68   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     L    48_A     L    48_A     18   84   93      5   16   28   44   61   74   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     D    49_A     D    49_A     18   84   93      5   19   29   46   61   74   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     Q    50_A     Q    50_A      4   84   93      3    3   14   23   49   68   78   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     G    51_A     G    51_A      4   84   93      3    3    4    9   51   70   78   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     R    52_A     R    52_A     36   84   93      5   28   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     C    53_A     C    53_A     36   84   93      7   26   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     T    54_A     T    54_A     36   84   93      8   25   43   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     P    55_A     P    55_A     36   84   93      7   25   51   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     E    56_A     E    56_A     36   84   93      7   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     G    57_A     G    57_A     36   84   93      7   25   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     R    58_A     R    58_A     36   84   93      7   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     E    59_A     E    59_A     36   84   93     13   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     L    60_A     L    60_A     36   84   93     11   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     K    61_A     K    61_A     36   84   93     10   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     A    62_A     A    62_A     36   84   93     13   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     H    63_A     H    63_A     36   84   93      7   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     I    64_A     I    64_A     36   84   93      8   27   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     K    65_A     K    65_A     36   84   93      5   22   52   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     D    66_A     D    66_A     36   84   93      8   25   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     A    67_A     A    67_A     36   84   93      8   25   52   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     M    68_A     M    68_A     36   84   93      5   23   34   55   72   75   78   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     Q    69_A     Q    69_A     36   84   93      5   23   34   51   71   75   78   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     T    70_A     T    70_A     36   84   93      5   25   36   58   72   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     S    71_A     S    71_A     36   84   93      7   25   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     C    72_A     C    72_A     36   84   93      6   25   52   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     S    73_A     S    73_A     36   84   93      5   23   45   66   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     K    74_A     K    74_A     36   84   93      5   16   45   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     C    75_A     C    75_A     36   84   93      6   25   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     T    76_A     T    76_A     36   84   93      8   28   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     E    77_A     E    77_A     36   84   93      7   28   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     K    78_A     K    78_A     36   84   93      9   28   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     Q    79_A     Q    79_A     36   84   93     13   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     K    80_A     K    80_A     36   84   93      8   28   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     K    81_A     K    81_A     36   84   93      8   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     G    82_A     G    82_A     36   84   93      8   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     A    83_A     A    83_A     36   84   93      6   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     R    84_A     R    84_A     36   84   93      6   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     K    85_A     K    85_A     36   84   93      7   25   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     V    86_A     V    86_A     36   84   93      6   25   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     V    87_A     V    87_A     36   84   93      6   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     R    88_A     R    88_A     29   84   93      5   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     H    89_A     H    89_A     29   84   93     13   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     I    90_A     I    90_A     29   84   93      9   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     R    91_A     R    91_A     29   84   93      9   29   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     A    92_A     A    92_A     29   84   93      9   27   54   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     K    93_A     K    93_A     29   84   93      7   23   53   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     E    94_A     E    94_A     29   84   93      9   30   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     Q    95_A     Q    95_A     29   84   93     13   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     E    96_A     E    96_A     29   84   93      9   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     Y    97_A     Y    97_A     29   84   93      7   26   54   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     W    98_A     W    98_A     29   84   93      9   28   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     K    99_A     K    99_A     29   84   93     13   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     Q   100_A     Q   100_A     29   84   93     10   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     I   101_A     I   101_A     29   84   93     10   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     L   102_A     L   102_A     29   84   93     13   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     A   103_A     A   103_A     29   84   93      9   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     K   104_A     K   104_A     29   84   93      9   28   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     Y   105_A     Y   105_A     29   84   93     13   34   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     D   106_A     D   106_A     29   84   93      9   33   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     P   107_A     P   107_A     29   84   93      9   28   55   67   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     E   108_A     E   108_A     21   84   93      4   14   24   49   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     D   109_A     D   109_A     21   84   93      4   14   25   51   73   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     Q   110_A     Q   110_A     21   84   93      5   14   21   41   64   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     Y   111_A     Y   111_A     18   84   93      4   14   21   41   64   75   79   83   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     K   112_A     K   112_A     12   84   93      4    6    9   12   17   24   53   78   84   84   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     E   113_A     E   113_A      7   39   93      5    6    9    9   10   21   29   61   71   81   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     N   114_A     N   114_A      7   11   93      5    6    9   16   24   32   48   64   72   83   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     Y   115_A     Y   115_A      7   11   93      5    6    9   16   29   32   48   61   71   83   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     E   116_A     E   116_A      7   11   93      5    6    9   16   23   31   52   61   71   81   88   88   88   88   89   89   91   92   92   92 
LCS_GDT     T   117_A     T   117_A      7   11   93      5    6    9    9   15   21   25   30   40   57   63   67   79   83   89   89   91   92   92   92 
LCS_GDT     F   118_A     F   118_A      7   11   93      4    5    9    9   12   19   24   30   34   38   44   54   61   75   78   86   90   92   92   92 
LCS_GDT     L   119_A     L   119_A      6   11   93      4    5    9    9   15   21   25   30   36   38   44   64   70   76   85   89   91   92   92   92 
LCS_GDT     A   120_A     A   120_A      6   11   93      4    5    9    9   10   17   24   26   32   36   44   52   65   71   78   85   91   92   92   92 
LCS_GDT     A   121_A     A   121_A      3    6   93      3    3    3    6    6    6    7   10   10   11   15   21   24   26   36   42   49   53   58   69 
LCS_AVERAGE  LCS_A:  70.29  (  27.89   82.99  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     13     34     55     67     73     75     79     83     84     84     88     88     88     88     89     89     91     92     92     92 
GDT PERCENT_AT  13.98  36.56  59.14  72.04  78.49  80.65  84.95  89.25  90.32  90.32  94.62  94.62  94.62  94.62  95.70  95.70  97.85  98.92  98.92  98.92
GDT RMS_LOCAL    0.36   0.72   0.99   1.21   1.37   1.45   1.65   1.84   1.91   1.91   2.51   2.51   2.51   2.51   2.81   2.81   3.44   3.67   3.67   3.67
GDT RMS_ALL_AT   4.46   4.54   4.56   4.64   4.63   4.67   4.62   4.62   4.60   4.60   4.40   4.40   4.40   4.40   4.33   4.33   4.24   4.21   4.21   4.21

# Checking swapping
#   possible swapping detected:  Y    43_A      Y    43_A
#   possible swapping detected:  D    49_A      D    49_A
#   possible swapping detected:  E    59_A      E    59_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  D   109_A      D   109_A
#   possible swapping detected:  Y   111_A      Y   111_A
#   possible swapping detected:  F   118_A      F   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    29_A      N    29_A     1.102     0    0.290   1.307     3.646   79.881   68.810
LGA    I    30_A      I    30_A     0.991     0    0.040   1.044     3.476   85.952   74.762
LGA    D    31_A      D    31_A     1.109     0    0.031   1.135     5.054   83.690   67.798
LGA    E    32_A      E    32_A     0.681     0    0.038   0.388     1.895   88.214   86.561
LGA    I    33_A      I    33_A     0.925     0    0.041   0.716     2.445   85.952   85.060
LGA    I    34_A      I    34_A     1.285     0    0.149   0.219     1.285   81.429   81.429
LGA    E    35_A      E    35_A     1.666     0    0.092   1.227     7.967   79.286   51.958
LGA    N    36_A      N    36_A     1.421     0    0.073   0.326     2.343   81.429   76.131
LGA    R    37_A      R    37_A     1.124     0    0.051   1.366     7.090   85.952   60.693
LGA    K    38_A      K    38_A     1.040     0    0.168   1.074     3.434   83.690   75.238
LGA    L    39_A      L    39_A     0.112     0    0.018   0.143     0.583  100.000   98.810
LGA    L    40_A      L    40_A     0.278     0    0.062   0.218     1.534  100.000   91.964
LGA    V    41_A      V    41_A     0.557     0    0.075   1.096     2.988   90.595   82.109
LGA    P    42_A      P    42_A     0.665     0    0.036   0.072     0.935   90.476   90.476
LGA    Y    43_A      Y    43_A     0.724     0    0.052   0.321     1.455   88.214   86.706
LGA    I    44_A      I    44_A     1.476     0    0.066   0.930     3.195   77.143   71.250
LGA    K    45_A      K    45_A     1.506     0    0.068   1.077     3.113   77.143   68.677
LGA    C    46_A      C    46_A     1.729     0    0.021   0.121     2.873   67.143   66.429
LGA    T    47_A      T    47_A     3.878     0    0.016   0.468     5.573   42.262   40.680
LGA    L    48_A      L    48_A     3.768     0    0.329   0.865     7.175   46.667   35.357
LGA    D    49_A      D    49_A     3.695     0    0.532   1.036    10.132   52.619   30.179
LGA    Q    50_A      Q    50_A     4.532     0    0.148   1.126    12.987   32.500   15.873
LGA    G    51_A      G    51_A     4.278     0    0.617   0.617     4.278   42.143   42.143
LGA    R    52_A      R    52_A     1.503     0    0.701   1.369    10.079   86.071   40.173
LGA    C    53_A      C    53_A     1.437     0    0.057   0.156     1.662   75.000   75.714
LGA    T    54_A      T    54_A     2.308     0    0.049   1.083     3.540   68.810   64.082
LGA    P    55_A      P    55_A     2.185     0    0.057   0.230     3.278   70.952   64.014
LGA    E    56_A      E    56_A     1.081     0    0.112   0.652     3.066   86.190   73.651
LGA    G    57_A      G    57_A     1.415     0    0.052   0.052     1.415   83.690   83.690
LGA    R    58_A      R    58_A     1.138     0    0.103   1.639     9.372   83.690   56.104
LGA    E    59_A      E    59_A     0.454     0    0.025   1.077     3.105   97.619   80.000
LGA    L    60_A      L    60_A     0.322     0    0.122   0.825     3.911   97.619   81.964
LGA    K    61_A      K    61_A     0.572     0    0.042   0.452     2.297   95.238   86.772
LGA    A    62_A      A    62_A     0.867     0    0.028   0.045     1.260   88.214   86.857
LGA    H    63_A      H    63_A     1.179     0    0.092   0.817     3.331   83.690   74.190
LGA    I    64_A      I    64_A     1.203     0    0.069   0.712     3.140   81.429   71.250
LGA    K    65_A      K    65_A     1.726     0    0.074   1.147     4.060   72.857   66.825
LGA    D    66_A      D    66_A     1.258     0    0.034   0.871     3.655   75.119   69.524
LGA    A    67_A      A    67_A     1.944     0    0.054   0.056     2.914   65.000   66.571
LGA    M    68_A      M    68_A     3.298     0    0.117   1.114     4.277   46.905   46.845
LGA    Q    69_A      Q    69_A     3.647     0    0.147   0.223     5.267   46.667   38.889
LGA    T    70_A      T    70_A     3.132     0    0.214   0.977     5.492   57.381   50.816
LGA    S    71_A      S    71_A     1.723     0    0.055   0.591     2.722   72.976   71.746
LGA    C    72_A      C    72_A     1.935     0    0.024   0.137     2.047   70.833   72.937
LGA    S    73_A      S    73_A     2.505     0    0.054   0.204     2.982   62.857   62.222
LGA    K    74_A      K    74_A     2.326     0    0.197   0.888     6.239   62.857   54.074
LGA    C    75_A      C    75_A     1.553     0    0.084   0.253     2.086   72.976   72.937
LGA    T    76_A      T    76_A     0.977     0    0.069   1.074     2.431   90.476   83.129
LGA    E    77_A      E    77_A     0.834     0    0.017   0.910     3.841   92.976   73.545
LGA    K    78_A      K    78_A     0.927     4    0.055   0.069     1.470   90.476   49.259
LGA    Q    79_A      Q    79_A     0.800     0    0.130   0.953     4.191   88.214   75.132
LGA    K    80_A      K    80_A     1.166     0    0.032   0.783     2.361   81.548   76.772
LGA    K    81_A      K    81_A     1.393     4    0.032   0.042     1.879   77.143   43.333
LGA    G    82_A      G    82_A     1.498     0    0.021   0.021     1.727   77.143   77.143
LGA    A    83_A      A    83_A     1.343     0    0.075   0.077     1.522   79.286   78.000
LGA    R    84_A      R    84_A     1.490     0    0.029   0.761     2.140   77.143   77.619
LGA    K    85_A      K    85_A     1.837     0    0.029   0.854     3.198   72.857   68.730
LGA    V    86_A      V    86_A     1.432     0    0.099   1.301     4.025   81.548   69.456
LGA    V    87_A      V    87_A     0.871     0    0.032   0.207     1.421   88.214   85.306
LGA    R    88_A      R    88_A     0.912     0    0.063   1.465     4.386   90.476   69.957
LGA    H    89_A      H    89_A     0.388     0    0.034   1.344     6.391   97.619   65.048
LGA    I    90_A      I    90_A     0.508     0    0.024   0.684     1.703   90.595   87.202
LGA    R    91_A      R    91_A     1.563     0    0.031   1.207     4.875   75.238   63.117
LGA    A    92_A      A    92_A     1.778     0    0.047   0.049     2.303   72.976   72.952
LGA    K    93_A      K    93_A     1.810     0    0.118   0.300     3.429   72.857   64.233
LGA    E    94_A      E    94_A     1.267     0    0.101   0.390     2.707   83.690   72.381
LGA    Q    95_A      Q    95_A     1.155     4    0.036   0.077     1.222   81.429   45.238
LGA    E    96_A      E    96_A     1.175     0    0.075   1.215     6.512   79.286   58.519
LGA    Y    97_A      Y    97_A     1.908     0    0.073   0.521     5.329   70.833   54.683
LGA    W    98_A      W    98_A     1.728     0    0.036   1.329     4.198   72.857   62.279
LGA    K    99_A      K    99_A     1.384     0    0.049   0.922     4.549   81.548   67.249
LGA    Q   100_A      Q   100_A     1.402     0    0.024   0.370     2.143   81.429   77.672
LGA    I   101_A      I   101_A     1.577     0    0.051   1.598     4.073   77.143   66.667
LGA    L   102_A      L   102_A     0.783     0    0.049   1.121     4.927   92.976   72.619
LGA    A   103_A      A   103_A     0.547     0    0.072   0.070     0.954   90.476   90.476
LGA    K   104_A      K   104_A     1.236     0    0.024   0.515     3.707   85.952   71.905
LGA    Y   105_A      Y   105_A     0.639     0    0.099   0.887     2.098   90.476   83.135
LGA    D   106_A      D   106_A     0.472     0    0.089   0.140     1.253   97.619   91.786
LGA    P   107_A      P   107_A     1.026     0    0.101   0.151     1.708   83.690   80.272
LGA    E   108_A      E   108_A     2.640     0    0.178   0.509     6.122   61.071   43.810
LGA    D   109_A      D   109_A     2.566     0    0.173   0.974     4.323   52.262   63.988
LGA    Q   110_A      Q   110_A     3.628     0    0.267   1.327    10.361   39.762   25.767
LGA    Y   111_A      Y   111_A     3.754     0    0.293   0.957     6.059   43.452   35.000
LGA    K   112_A      K   112_A     5.073     0    0.070   1.407    11.682   24.405   13.757
LGA    E   113_A      E   113_A     8.401     0    0.088   1.554    15.202    5.357    2.540
LGA    N   114_A      N   114_A     8.611     0    0.024   0.648     9.970    3.333    3.036
LGA    Y   115_A      Y   115_A     7.855     0    0.063   0.902     9.463    5.476    9.603
LGA    E   116_A      E   116_A     8.883     0    0.073   1.013    11.883    2.500    2.381
LGA    T   117_A      T   117_A    13.463     0    0.064   1.344    16.155    0.000    0.000
LGA    F   118_A      F   118_A    15.054     0    0.030   0.361    18.737    0.000    0.000
LGA    L   119_A      L   119_A    14.229     0    0.140   0.912    15.932    0.000    0.000
LGA    A   120_A      A   120_A    16.418     0    0.284   0.275    20.693    0.000    0.000
LGA    A   121_A      A   121_A    22.682     0    0.093   0.090    26.175    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       93     372    372  100.00     756    756  100.00                93
SUMMARY(RMSD_GDC):     4.197          4.339                  4.758           69.364   60.598

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  123   93    4.0     83    1.84    73.387    79.893     4.274

LGA_LOCAL      RMSD:   1.842  Number of atoms:   83  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.622  Number of assigned atoms:   93 
Std_ASGN_ATOMS RMSD:   4.197  Standard rmsd on all 93 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.049319 * X  +   0.973190 * Y  +   0.224653 * Z  +  17.475023
  Y_new =  -0.203185 * X  +  -0.210448 * Y  +   0.956257 * Z  +  -6.385787
  Z_new =   0.977897 * X  +  -0.092808 * Y  +   0.187359 * Z  +  14.787179 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.332671 -1.360157 -0.459921   [DEG:  -76.3564  -77.9312  -26.3515 ]
ZXZ:  2.910847  1.382324  1.665419   [DEG:  166.7793   79.2013   95.4215 ]
 
# END of job
