
#######################################################
#                                                     #
#                        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  101 (  823),  selected   97 , name one
# Molecule2: number of CA atoms   97 (  780),  selected   97 , 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:    55      42_A - 96_A        5.00    21.08
  LONGEST_CONTINUOUS_SEGMENT:    55      43_A - 97_A        4.94    21.03
  LCS_AVERAGE:     55.86

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      52_A - 100_A       1.31    20.01
  LCS_AVERAGE:     47.26

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48      53_A - 100_A       0.64    19.92
  LCS_AVERAGE:     45.28

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   97
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     E     4_A     E     4_A     44   45   53     14   41   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     I     5_A     I     5_A     44   45   53     26   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     K     6_A     K     6_A     44   45   53     26   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     G     7_A     G     7_A     44   45   53     30   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     Y     8_A     Y     8_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     E     9_A     E     9_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     Y    10_A     Y    10_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     Q    11_A     Q    11_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   55 
LCS_GDT     L    12_A     L    12_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   56 
LCS_GDT     Y    13_A     Y    13_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   53   57   58 
LCS_GDT     V    14_A     V    14_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     Y    15_A     Y    15_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     A    16_A     A    16_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     S    17_A     S    17_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     D    18_A     D    18_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     K    19_A     K    19_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     L    20_A     L    20_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   58 
LCS_GDT     F    21_A     F    21_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   53   57   58 
LCS_GDT     R    22_A     R    22_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   52   53   54   57   58 
LCS_GDT     A    23_A     A    23_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     D    24_A     D    24_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     I    25_A     I    25_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     S    26_A     S    26_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     E    27_A     E    27_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     D    28_A     D    28_A     44   45   53     30   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     Y    29_A     Y    29_A     44   45   53     28   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     K    30_A     K    30_A     44   45   53     28   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     T    31_A     T    31_A     44   45   53     28   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     R    32_A     R    32_A     44   45   53     28   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     G    33_A     G    33_A     44   45   53     30   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     R    34_A     R    34_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     K    35_A     K    35_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     L    36_A     L    36_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     L    37_A     L    37_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     R    38_A     R    38_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     F    39_A     F    39_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   50   52   52 
LCS_GDT     N    40_A     N    40_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   48   48   49   49   50   52   54   55 
LCS_GDT     G    41_A     G    41_A     44   45   53     32   42   44   44   44   44   44   44   45   46   47   47   51   52   52   52   53   55   57   58 
LCS_GDT     P    42_A     P    42_A     44   45   55     32   42   44   44   44   44   44   44   45   46   47   47   48   52   52   53   53   55   57   58 
LCS_GDT     V    43_A     V    43_A     44   45   55     32   42   44   44   44   44   44   44   46   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     P    44_A     P    44_A     44   45   55     32   42   44   44   44   44   44   44   45   46   47   48   49   50   51   53   53   55   57   58 
LCS_GDT     P    45_A     P    45_A     44   45   55     32   42   44   44   44   44   44   44   45   46   47   47   48   48   50   52   52   55   56   58 
LCS_GDT     P    46_A     P    46_A     44   45   55      6   42   44   44   44   44   44   44   45   46   47   48   49   50   51   53   53   55   56   58 
LCS_GDT     G    47_A     G    47_A     44   45   55      4    9   44   44   44   44   44   44   45   46   47   47   48   48   49   51   52   53   53   54 
LCS_GDT     G    48_A     G    48_A      4   45   55      3    4    5    6    8   14   26   39   43   46   46   47   48   48   49   49   50   50   53   54 
LCS_GDT     S    49_A     S    49_A      4    7   55      3    4    5    6    8   10   12   17   19   26   36   42   45   48   48   49   50   50   53   54 
LCS_GDT     G    50_A     G    50_A      4    7   55      3    4    5    6    8    8   10   11   15   16   21   37   44   47   50   51   52   53   54   55 
LCS_GDT     G    51_A     G    51_A      4    7   55      3    4    6   12   18   26   31   34   38   41   46   48   49   50   51   53   53   55   57   58 
LCS_GDT     G    52_A     G    52_A      4   49   55      3    4   15   26   33   40   43   45   46   48   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     E    53_A     E    53_A     48   49   55     18   41   45   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     W    54_A     W    54_A     48   49   55     37   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     E    55_A     E    55_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     I    56_A     I    56_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     I    57_A     I    57_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     D    58_A     D    58_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     I    59_A     I    59_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     G    60_A     G    60_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     P    61_A     P    61_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     F    62_A     F    62_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     T    63_A     T    63_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     Q    64_A     Q    64_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     N    65_A     N    65_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     L    66_A     L    66_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     G    67_A     G    67_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     K    68_A     K    68_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     F    69_A     F    69_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     A    70_A     A    70_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     V    71_A     V    71_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     D    72_A     D    72_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     E    73_A     E    73_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     E    74_A     E    74_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     N    75_A     N    75_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     K    76_A     K    76_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     I    77_A     I    77_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     G    78_A     G    78_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     Q    79_A     Q    79_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     Y    80_A     Y    80_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     G    81_A     G    81_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     R    82_A     R    82_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     L    83_A     L    83_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     T    84_A     T    84_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     F    85_A     F    85_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     N    86_A     N    86_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     K    87_A     K    87_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     V    88_A     V    88_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     I    89_A     I    89_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     R    90_A     R    90_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     P    91_A     P    91_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     C    92_A     C    92_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     M    93_A     M    93_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     K    94_A     K    94_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     K    95_A     K    95_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     T    96_A     T    96_A     48   49   55     42   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     I    97_A     I    97_A     48   49   55     13   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     Y    98_A     Y    98_A     48   49   54     25   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     E    99_A     E    99_A     48   49   54     13   46   46   47   48   48   48   48   48   49   50   50   51   52   52   53   53   55   57   58 
LCS_GDT     N   100_A     N   100_A     48   49   54      3    8   29   47   48   48   48   48   48   49   50   50   51   52   52   52   53   55   57   58 
LCS_AVERAGE  LCS_A:  49.47  (  45.28   47.26   55.86 )

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     42     46     46     47     48     48     48     48     48     49     50     50     51     52     52     53     53     55     57     58 
GDT PERCENT_AT  43.30  47.42  47.42  48.45  49.48  49.48  49.48  49.48  49.48  50.52  51.55  51.55  52.58  53.61  53.61  54.64  54.64  56.70  58.76  59.79
GDT RMS_LOCAL    0.28   0.41   0.41   0.52   0.64   0.64   0.64   0.64   0.64   1.44   1.79   1.79   2.28   2.77   2.77   3.51   3.26   3.77   4.54   4.71
GDT RMS_ALL_AT  19.94  19.92  19.92  19.95  19.92  19.92  19.92  19.92  19.92  19.90  19.98  19.98  19.91  19.86  19.86  20.20  20.18  20.06  19.78  19.83

# Checking swapping
#   possible swapping detected:  Y     8_A      Y     8_A
#   possible swapping detected:  Y    10_A      Y    10_A
#   possible swapping detected:  F    21_A      F    21_A
#   possible swapping detected:  D    24_A      D    24_A
#   possible swapping detected:  D    28_A      D    28_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  E    55_A      E    55_A
#   possible swapping detected:  F    69_A      F    69_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  F    85_A      F    85_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A    41.728     4    0.037   0.037    44.349    0.000    0.000
LGA    I     5_A      I     5_A    37.286     0    0.049   0.076    40.968    0.000    0.000
LGA    K     6_A      K     6_A    40.340     0    0.025   0.689    43.856    0.000    0.000
LGA    G     7_A      G     7_A    35.264     0    0.041   0.041    36.463    0.000    0.000
LGA    Y     8_A      Y     8_A    28.278     0    0.015   1.243    31.145    0.000    0.000
LGA    E     9_A      E     9_A    23.830     0    0.049   1.043    26.427    0.000    0.000
LGA    Y    10_A      Y    10_A    19.382     0    0.026   1.255    27.757    0.000    0.000
LGA    Q    11_A      Q    11_A    13.538     0    0.069   1.061    15.278    0.000    0.794
LGA    L    12_A      L    12_A    15.616     0    0.027   0.512    22.905    0.000    0.000
LGA    Y    13_A      Y    13_A    15.373     0    0.035   0.202    19.848    0.000    6.310
LGA    V    14_A      V    14_A    22.282     0    0.019   0.073    26.392    0.000    0.000
LGA    Y    15_A      Y    15_A    26.507     0    0.027   0.047    30.158    0.000    0.000
LGA    A    16_A      A    16_A    30.319     0    0.044   0.044    30.672    0.000    0.000
LGA    S    17_A      S    17_A    33.938     0    0.060   0.059    35.129    0.000    0.000
LGA    D    18_A      D    18_A    32.312     0    0.038   0.165    38.959    0.000    0.000
LGA    K    19_A      K    19_A    24.694     0    0.038   0.747    27.548    0.000    0.000
LGA    L    20_A      L    20_A    19.538     0    0.017   0.086    21.119    0.000    0.000
LGA    F    21_A      F    21_A    15.783     0    0.008   1.219    21.155    0.000    0.000
LGA    R    22_A      R    22_A    12.035     0    0.026   0.973    14.638    0.000    2.814
LGA    A    23_A      A    23_A    18.063     0    0.022   0.027    20.577    0.000    0.000
LGA    D    24_A      D    24_A    19.536     0    0.020   1.092    24.110    0.000    0.000
LGA    I    25_A      I    25_A    26.182     0    0.029   0.085    29.777    0.000    0.000
LGA    S    26_A      S    26_A    30.835     0    0.031   0.617    34.166    0.000    0.000
LGA    E    27_A      E    27_A    35.236     0    0.032   1.021    36.658    0.000    0.000
LGA    D    28_A      D    28_A    41.004     0    0.017   1.107    46.483    0.000    0.000
LGA    Y    29_A      Y    29_A    40.662     0    0.021   1.384    43.428    0.000    0.000
LGA    K    30_A      K    30_A    48.186     0    0.010   0.596    52.170    0.000    0.000
LGA    T    31_A      T    31_A    50.399     0    0.015   0.080    53.338    0.000    0.000
LGA    R    32_A      R    32_A    44.257     0    0.023   0.923    46.047    0.000    0.000
LGA    G    33_A      G    33_A    45.583     0    0.121   0.121    45.583    0.000    0.000
LGA    R    34_A      R    34_A    39.486     0    0.036   0.177    42.149    0.000    0.000
LGA    K    35_A      K    35_A    36.966     0    0.020   0.061    40.948    0.000    0.000
LGA    L    36_A      L    36_A    31.239     0    0.019   0.057    33.826    0.000    0.000
LGA    L    37_A      L    37_A    28.031     0    0.018   0.070    31.330    0.000    0.000
LGA    R    38_A      R    38_A    22.001     0    0.047   0.949    24.005    0.000    0.000
LGA    F    39_A      F    39_A    19.596     0    0.075   0.115    24.196    0.000    0.000
LGA    N    40_A      N    40_A    12.997     0    0.036   0.839    15.174    0.000    0.000
LGA    G    41_A      G    41_A    10.859     0    0.017   0.017    11.866    0.000    0.000
LGA    P    42_A      P    42_A    13.109     0    0.042   0.064    16.195    0.357    0.204
LGA    V    43_A      V    43_A     9.413     0    0.043   0.090    13.832    0.357    3.197
LGA    P    44_A      P    44_A    13.981     0    0.041   0.209    14.217    0.000    0.068
LGA    P    45_A      P    45_A    17.010     0    0.030   0.063    21.123    0.000    0.000
LGA    P    46_A      P    46_A    13.658     0    0.112   0.345    17.851    0.000    0.000
LGA    G    47_A      G    47_A    18.206     0    0.228   0.228    18.647    0.000    0.000
LGA    G    48_A      G    48_A    20.985     0    0.553   0.553    23.232    0.000    0.000
LGA    S    49_A      S    49_A    21.105     0    0.242   0.546    25.444    0.000    0.000
LGA    G    50_A      G    50_A    17.297     0    0.165   0.165    18.793    0.000    0.000
LGA    G    51_A      G    51_A    13.852     0    0.210   0.210    15.499    0.000    0.000
LGA    G    52_A      G    52_A     8.375     0    0.047   0.047    10.080    9.762    9.762
LGA    E    53_A      E    53_A     2.161     0    0.587   0.530     5.381   60.476   51.270
LGA    W    54_A      W    54_A     0.940     0    0.094   0.098     1.662   83.810   87.279
LGA    E    55_A      E    55_A     0.573     0    0.071   1.071     5.738   92.857   69.153
LGA    I    56_A      I    56_A     0.287     0    0.057   0.622     2.205   97.619   94.405
LGA    I    57_A      I    57_A     0.176     0    0.062   0.098     0.446  100.000  100.000
LGA    D    58_A      D    58_A     0.391     0    0.090   0.420     1.420   97.619   92.917
LGA    I    59_A      I    59_A     0.322     0    0.029   0.108     0.387  100.000  100.000
LGA    G    60_A      G    60_A     0.342     0    0.050   0.050     0.342  100.000  100.000
LGA    P    61_A      P    61_A     0.304     0    0.014   0.028     0.478  100.000  100.000
LGA    F    62_A      F    62_A     0.312     0    0.033   0.150     0.725  100.000   94.805
LGA    T    63_A      T    63_A     0.214     0    0.017   1.138     2.601  100.000   90.000
LGA    Q    64_A      Q    64_A     0.287     0    0.012   0.111     0.547  100.000   98.942
LGA    N    65_A      N    65_A     0.349     0    0.062   0.181     1.003  100.000   95.298
LGA    L    66_A      L    66_A     0.039     0    0.030   0.249     0.811  100.000   98.810
LGA    G    67_A      G    67_A     0.246     0    0.025   0.025     0.246  100.000  100.000
LGA    K    68_A      K    68_A     0.213     0    0.041   1.308     6.332  100.000   73.704
LGA    F    69_A      F    69_A     0.157     0    0.012   0.078     0.750  100.000   95.671
LGA    A    70_A      A    70_A     0.089     0    0.022   0.027     0.211  100.000  100.000
LGA    V    71_A      V    71_A     0.106     0    0.017   0.034     0.227  100.000  100.000
LGA    D    72_A      D    72_A     0.239     0    0.019   0.040     0.759  100.000   96.429
LGA    E    73_A      E    73_A     0.081     0    0.030   0.244     0.681  100.000   97.884
LGA    E    74_A      E    74_A     0.162     0    0.046   0.113     0.848  100.000   95.767
LGA    N    75_A      N    75_A     0.212     0    0.039   0.070     0.286  100.000  100.000
LGA    K    76_A      K    76_A     0.157     0    0.020   0.136     0.914  100.000   95.767
LGA    I    77_A      I    77_A     0.578     0    0.022   0.131     1.234   92.857   90.536
LGA    G    78_A      G    78_A     0.667     0    0.019   0.019     0.771   90.476   90.476
LGA    Q    79_A      Q    79_A     0.671     0    0.017   1.114     4.940   90.476   76.508
LGA    Y    80_A      Y    80_A     0.625     0    0.020   0.110     0.679   90.476   92.857
LGA    G    81_A      G    81_A     0.783     0    0.020   0.020     0.783   92.857   92.857
LGA    R    82_A      R    82_A     0.298     0    0.084   1.046     5.384   97.619   79.827
LGA    L    83_A      L    83_A     0.257     0    0.018   0.108     0.424  100.000  100.000
LGA    T    84_A      T    84_A     0.191     0    0.030   0.088     0.315  100.000  100.000
LGA    F    85_A      F    85_A     0.155     0    0.009   0.086     0.397  100.000  100.000
LGA    N    86_A      N    86_A     0.208     0    0.014   0.443     1.505  100.000   95.417
LGA    K    87_A      K    87_A     0.275     0    0.056   0.108     0.975  100.000   96.825
LGA    V    88_A      V    88_A     0.199     0    0.026   0.048     0.315  100.000  100.000
LGA    I    89_A      I    89_A     0.136     0    0.032   0.054     0.245  100.000  100.000
LGA    R    90_A      R    90_A     0.212     0    0.025   0.807     3.826  100.000   84.329
LGA    P    91_A      P    91_A     0.269     0    0.048   0.060     0.558  100.000   97.279
LGA    C    92_A      C    92_A     0.071     0    0.041   0.056     0.320  100.000  100.000
LGA    M    93_A      M    93_A     0.471     0    0.012   0.265     1.281   97.619   94.107
LGA    K    94_A      K    94_A     0.590     0    0.039   0.458     2.939   92.857   85.873
LGA    K    95_A      K    95_A     0.709     0    0.020   0.612     2.607   90.476   83.915
LGA    T    96_A      T    96_A     0.511     0    0.022   0.049     1.013   95.238   91.905
LGA    I    97_A      I    97_A     0.726     0    0.015   0.354     1.733   92.857   86.071
LGA    Y    98_A      Y    98_A     0.779     0    0.029   0.095     1.478   85.952   82.937
LGA    E    99_A      E    99_A     0.966     0    0.027   0.796     2.179   83.810   78.783
LGA    N   100_A      N   100_A     2.565     0    0.269   0.442     4.392   64.881   51.786

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       97     388    388  100.00     780    780  100.00                97
SUMMARY(RMSD_GDC):    16.257         16.199                 16.545           47.436   45.397

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     48    0.64    50.000    49.295     6.460

LGA_LOCAL      RMSD:   0.643  Number of atoms:   48  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.922  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:  16.257  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.246381 * X  +   0.638458 * Y  +   0.729155 * Z  +  -0.250595
  Y_new =  -0.509129 * X  +  -0.554911 * Y  +   0.657922 * Z  +  18.035465
  Z_new =   0.824672 * X  +  -0.533334 * Y  +   0.188338 * Z  +  43.221066 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.120090 -0.969622 -1.231333   [DEG:  -64.1764  -55.5553  -70.5502 ]
ZXZ:  2.304884  1.381327  2.144864   [DEG:  132.0602   79.1442  122.8916 ]
 
# END of job
