
#######################################################
#                                                     #
#                        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:    54      43_A - 96_A        4.96    21.14
  LONGEST_CONTINUOUS_SEGMENT:    54      47_A - 100_A       4.99    20.64
  LCS_AVERAGE:     55.26

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      52_A - 100_A       1.29    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       0.58    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     11   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     I     5_A     I     5_A     44   45   53     30   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     K     6_A     K     6_A     44   45   53     37   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     G     7_A     G     7_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     Y     8_A     Y     8_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     E     9_A     E     9_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     Y    10_A     Y    10_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     Q    11_A     Q    11_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   56 
LCS_GDT     L    12_A     L    12_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   56 
LCS_GDT     Y    13_A     Y    13_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   54   57   58 
LCS_GDT     V    14_A     V    14_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     Y    15_A     Y    15_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     A    16_A     A    16_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     S    17_A     S    17_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     D    18_A     D    18_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     K    19_A     K    19_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     L    20_A     L    20_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   53 
LCS_GDT     F    21_A     F    21_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   54   57   58 
LCS_GDT     R    22_A     R    22_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   52   53   53   54   57   58 
LCS_GDT     A    23_A     A    23_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     D    24_A     D    24_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     I    25_A     I    25_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     S    26_A     S    26_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     E    27_A     E    27_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     D    28_A     D    28_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     Y    29_A     Y    29_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     K    30_A     K    30_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     T    31_A     T    31_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     R    32_A     R    32_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     G    33_A     G    33_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     R    34_A     R    34_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     K    35_A     K    35_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     L    36_A     L    36_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     L    37_A     L    37_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     R    38_A     R    38_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     F    39_A     F    39_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   51   51   52 
LCS_GDT     N    40_A     N    40_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   48   49   49   50   54   54   57 
LCS_GDT     G    41_A     G    41_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   51   52   52   53   53   55   57   58 
LCS_GDT     P    42_A     P    42_A     44   45   53     38   43   44   44   44   44   44   44   46   46   47   47   48   52   52   53   54   55   57   58 
LCS_GDT     V    43_A     V    43_A     44   45   54     38   43   44   44   44   44   44   44   46   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     P    44_A     P    44_A     44   45   54     32   43   44   44   44   44   44   44   46   46   47   47   49   50   51   53   54   55   57   58 
LCS_GDT     P    45_A     P    45_A     44   45   54     38   43   44   44   44   44   44   44   46   46   47   47   48   48   50   51   53   55   56   56 
LCS_GDT     P    46_A     P    46_A     44   45   54      6   43   44   44   44   44   44   44   46   46   47   47   49   50   51   53   54   55   56   58 
LCS_GDT     G    47_A     G    47_A     44   45   54      4   11   44   44   44   44   44   44   46   46   47   47   48   48   49   51   52   53   53   54 
LCS_GDT     G    48_A     G    48_A      4   45   54      3    4    4    6   14   18   34   40   46   46   47   47   48   48   49   49   50   51   53   53 
LCS_GDT     S    49_A     S    49_A      4    7   54      3    4    4    6    8    9   11   15   18   21   31   38   44   47   48   49   50   51   51   52 
LCS_GDT     G    50_A     G    50_A      4    7   54      3    4    4    6    8    9   10   12   15   20   21   25   28   35   47   51   52   53   54   54 
LCS_GDT     G    51_A     G    51_A      4    7   54      3    3    4    5    7   22   29   34   36   40   43   47   49   50   51   53   54   55   57   58 
LCS_GDT     G    52_A     G    52_A      4   49   54      3    9   18   28   33   35   43   45   46   48   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     E    53_A     E    53_A     48   49   54     26   42   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     W    54_A     W    54_A     48   49   54     36   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     E    55_A     E    55_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     I    56_A     I    56_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     I    57_A     I    57_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     D    58_A     D    58_A     48   49   54     38   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     I    59_A     I    59_A     48   49   54     25   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     G    60_A     G    60_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     P    61_A     P    61_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     F    62_A     F    62_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     T    63_A     T    63_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     Q    64_A     Q    64_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     N    65_A     N    65_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     L    66_A     L    66_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     G    67_A     G    67_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     K    68_A     K    68_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     F    69_A     F    69_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     A    70_A     A    70_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     V    71_A     V    71_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     D    72_A     D    72_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     E    73_A     E    73_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     E    74_A     E    74_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     N    75_A     N    75_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     K    76_A     K    76_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     I    77_A     I    77_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     G    78_A     G    78_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     Q    79_A     Q    79_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     Y    80_A     Y    80_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     G    81_A     G    81_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     R    82_A     R    82_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     L    83_A     L    83_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     T    84_A     T    84_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     F    85_A     F    85_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     N    86_A     N    86_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     K    87_A     K    87_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     V    88_A     V    88_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     I    89_A     I    89_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     R    90_A     R    90_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     P    91_A     P    91_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     C    92_A     C    92_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     M    93_A     M    93_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     K    94_A     K    94_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     K    95_A     K    95_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     T    96_A     T    96_A     48   49   54     40   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     I    97_A     I    97_A     48   49   54     12   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     Y    98_A     Y    98_A     48   49   54      4   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     E    99_A     E    99_A     48   49   54      3   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_GDT     N   100_A     N   100_A     48   49   54      3   11   24   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   57   58 
LCS_AVERAGE  LCS_A:  49.26  (  45.28   47.26   55.26 )

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     40     46     47     48     48     48     48     48     48     49     50     50     51     52     52     53     54     55     57     58 
GDT PERCENT_AT  41.24  47.42  48.45  49.48  49.48  49.48  49.48  49.48  49.48  50.52  51.55  51.55  52.58  53.61  53.61  54.64  55.67  56.70  58.76  59.79
GDT RMS_LOCAL    0.24   0.41   0.49   0.58   0.58   0.58   0.58   0.58   0.58   1.45   1.80   1.80   2.31   2.82   2.82   3.56   3.59   3.81   4.57   4.74
GDT RMS_ALL_AT  19.94  19.92  19.94  19.92  19.92  19.92  19.92  19.92  19.92  19.90  19.99  19.99  19.91  19.86  19.86  20.19  20.12  20.05  19.77  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:  E    27_A      E    27_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    41.637     4    0.057   0.066    44.265    0.000    0.000
LGA    I     5_A      I     5_A    37.154     0    0.061   0.082    40.843    0.000    0.000
LGA    K     6_A      K     6_A    40.285     0    0.025   0.696    43.940    0.000    0.000
LGA    G     7_A      G     7_A    35.214     0    0.041   0.041    36.416    0.000    0.000
LGA    Y     8_A      Y     8_A    28.231     0    0.012   1.243    31.095    0.000    0.000
LGA    E     9_A      E     9_A    23.821     0    0.035   1.036    26.343    0.000    0.000
LGA    Y    10_A      Y    10_A    19.269     0    0.032   1.240    27.952    0.000    0.000
LGA    Q    11_A      Q    11_A    13.453     0    0.025   1.135    15.105    0.000    0.794
LGA    L    12_A      L    12_A    15.618     0    0.022   0.984    21.572    0.000    0.000
LGA    Y    13_A      Y    13_A    15.489     0    0.027   0.183    19.987    0.000    5.794
LGA    V    14_A      V    14_A    22.337     0    0.033   1.203    24.504    0.000    0.000
LGA    Y    15_A      Y    15_A    26.693     0    0.035   0.039    30.282    0.000    0.000
LGA    A    16_A      A    16_A    30.476     0    0.036   0.036    30.872    0.000    0.000
LGA    S    17_A      S    17_A    34.189     0    0.064   0.070    35.296    0.000    0.000
LGA    D    18_A      D    18_A    32.643     0    0.036   0.263    39.186    0.000    0.000
LGA    K    19_A      K    19_A    25.008     0    0.025   0.751    27.851    0.000    0.000
LGA    L    20_A      L    20_A    19.745     0    0.019   0.061    21.362    0.000    0.000
LGA    F    21_A      F    21_A    15.890     0    0.005   1.218    21.427    0.000    0.000
LGA    R    22_A      R    22_A    12.018     0    0.030   1.103    14.462    0.000    1.169
LGA    A    23_A      A    23_A    17.941     0    0.017   0.023    20.472    0.000    0.000
LGA    D    24_A      D    24_A    19.497     0    0.027   1.070    24.046    0.000    0.000
LGA    I    25_A      I    25_A    26.123     0    0.036   0.062    29.721    0.000    0.000
LGA    S    26_A      S    26_A    30.739     0    0.034   0.627    34.111    0.000    0.000
LGA    E    27_A      E    27_A    35.194     0    0.024   1.040    36.622    0.000    0.000
LGA    D    28_A      D    28_A    40.966     0    0.021   1.102    46.463    0.000    0.000
LGA    Y    29_A      Y    29_A    40.607     0    0.021   1.387    43.378    0.000    0.000
LGA    K    30_A      K    30_A    48.137     0    0.021   0.575    51.862    0.000    0.000
LGA    T    31_A      T    31_A    50.395     0    0.010   0.067    53.281    0.000    0.000
LGA    R    32_A      R    32_A    44.191     0    0.016   0.919    46.014    0.000    0.000
LGA    G    33_A      G    33_A    45.531     0    0.109   0.109    45.531    0.000    0.000
LGA    R    34_A      R    34_A    39.392     0    0.024   0.158    42.065    0.000    0.000
LGA    K    35_A      K    35_A    36.827     0    0.003   0.046    40.360    0.000    0.000
LGA    L    36_A      L    36_A    31.065     0    0.024   0.067    33.667    0.000    0.000
LGA    L    37_A      L    37_A    27.744     0    0.032   0.083    31.084    0.000    0.000
LGA    R    38_A      R    38_A    21.757     0    0.044   0.900    23.762    0.000    0.000
LGA    F    39_A      F    39_A    19.496     0    0.027   0.036    24.137    0.000    0.000
LGA    N    40_A      N    40_A    12.903     0    0.038   0.558    15.073    0.000    0.000
LGA    G    41_A      G    41_A    11.121     0    0.019   0.019    12.086    0.000    0.000
LGA    P    42_A      P    42_A    13.472     0    0.029   0.047    16.650    0.357    0.204
LGA    V    43_A      V    43_A     9.691     0    0.037   0.087    14.091    0.119    2.653
LGA    P    44_A      P    44_A    14.146     0    0.039   0.214    14.335    0.000    0.068
LGA    P    45_A      P    45_A    17.139     0    0.034   0.377    21.344    0.000    0.000
LGA    P    46_A      P    46_A    13.657     0    0.057   0.333    17.970    0.000    0.000
LGA    G    47_A      G    47_A    18.209     0    0.314   0.314    18.738    0.000    0.000
LGA    G    48_A      G    48_A    21.005     0    0.515   0.515    21.005    0.000    0.000
LGA    S    49_A      S    49_A    21.413     0    0.087   0.656    25.868    0.000    0.000
LGA    G    50_A      G    50_A    17.563     0    0.015   0.015    19.023    0.000    0.000
LGA    G    51_A      G    51_A    13.807     0    0.022   0.022    15.397    0.000    0.000
LGA    G    52_A      G    52_A     8.377     0    0.138   0.138    10.103   10.833   10.833
LGA    E    53_A      E    53_A     1.720     0    0.634   1.033     8.120   68.214   45.820
LGA    W    54_A      W    54_A     0.835     0    0.104   0.090     1.709   83.810   86.633
LGA    E    55_A      E    55_A     0.305     0    0.082   0.918     4.269   97.619   83.280
LGA    I    56_A      I    56_A     0.246     0    0.041   0.607     2.221  100.000   95.595
LGA    I    57_A      I    57_A     0.231     0    0.069   0.097     0.334  100.000  100.000
LGA    D    58_A      D    58_A     0.644     0    0.087   0.475     2.433   90.476   82.857
LGA    I    59_A      I    59_A     0.801     0    0.387   1.045     3.124   79.881   76.726
LGA    G    60_A      G    60_A     0.223     0    0.026   0.026     0.457  100.000  100.000
LGA    P    61_A      P    61_A     0.153     0    0.020   0.030     0.231  100.000  100.000
LGA    F    62_A      F    62_A     0.406     0    0.052   0.212     1.297  100.000   90.649
LGA    T    63_A      T    63_A     0.390     0    0.009   1.112     2.693  100.000   88.639
LGA    Q    64_A      Q    64_A     0.236     0    0.015   0.140     0.939  100.000   96.825
LGA    N    65_A      N    65_A     0.321     0    0.101   1.080     4.253  100.000   81.190
LGA    L    66_A      L    66_A     0.094     0    0.030   0.229     0.771  100.000   98.810
LGA    G    67_A      G    67_A     0.082     0    0.015   0.015     0.149  100.000  100.000
LGA    K    68_A      K    68_A     0.087     0    0.052   1.314     6.297  100.000   74.603
LGA    F    69_A      F    69_A     0.081     0    0.013   0.071     0.551  100.000   99.134
LGA    A    70_A      A    70_A     0.073     0    0.024   0.028     0.165  100.000  100.000
LGA    V    71_A      V    71_A     0.065     0    0.016   0.039     0.146  100.000  100.000
LGA    D    72_A      D    72_A     0.163     0    0.015   0.061     0.459  100.000  100.000
LGA    E    73_A      E    73_A     0.171     0    0.028   0.148     0.475  100.000  100.000
LGA    E    74_A      E    74_A     0.157     0    0.053   0.065     0.225  100.000  100.000
LGA    N    75_A      N    75_A     0.105     0    0.024   0.081     0.249  100.000  100.000
LGA    K    76_A      K    76_A     0.166     0    0.018   0.107     0.552  100.000   98.942
LGA    I    77_A      I    77_A     0.484     0    0.010   0.091     0.817   95.238   92.857
LGA    G    78_A      G    78_A     0.500     0    0.009   0.009     0.638   95.238   95.238
LGA    Q    79_A      Q    79_A     0.633     0    0.026   0.212     0.931   90.476   90.476
LGA    Y    80_A      Y    80_A     0.478     0    0.017   0.082     0.560   92.857   93.651
LGA    G    81_A      G    81_A     0.688     0    0.022   0.022     0.688   95.238   95.238
LGA    R    82_A      R    82_A     0.319     0    0.073   1.149     5.504   97.619   79.394
LGA    L    83_A      L    83_A     0.142     0    0.012   0.103     0.278  100.000  100.000
LGA    T    84_A      T    84_A     0.078     0    0.019   0.048     0.230  100.000  100.000
LGA    F    85_A      F    85_A     0.057     0    0.010   0.077     0.167  100.000  100.000
LGA    N    86_A      N    86_A     0.221     0    0.015   0.270     0.886  100.000   98.810
LGA    K    87_A      K    87_A     0.220     0    0.048   0.116     0.882  100.000   96.825
LGA    V    88_A      V    88_A     0.260     0    0.036   0.073     0.414  100.000  100.000
LGA    I    89_A      I    89_A     0.131     0    0.030   0.063     0.205  100.000  100.000
LGA    R    90_A      R    90_A     0.213     0    0.024   1.037     4.352  100.000   82.294
LGA    P    91_A      P    91_A     0.188     0    0.026   0.062     0.394  100.000  100.000
LGA    C    92_A      C    92_A     0.224     0    0.052   0.776     2.727  100.000   92.857
LGA    M    93_A      M    93_A     0.519     0    0.018   0.342     1.395   92.857   91.726
LGA    K    94_A      K    94_A     0.616     0    0.024   0.190     2.042   95.238   87.725
LGA    K    95_A      K    95_A     0.703     0    0.019   0.689     2.899   90.476   83.069
LGA    T    96_A      T    96_A     0.544     0    0.015   0.045     0.996   92.857   91.837
LGA    I    97_A      I    97_A     0.826     0    0.028   0.395     1.488   90.476   85.952
LGA    Y    98_A      Y    98_A     0.894     0    0.027   0.085     1.459   85.952   87.460
LGA    E    99_A      E    99_A     1.002     0    0.020   0.757     2.439   83.690   76.931
LGA    N   100_A      N   100_A     2.156     0    0.268   0.437     4.271   72.976   57.440

# 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):    16.293         16.239                 16.571           47.448   45.371

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     48    0.58    50.258    49.458     7.043

LGA_LOCAL      RMSD:   0.581  Number of atoms:   48  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.923  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:  16.293  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.765585 * X  +  -0.301608 * Y  +  -0.568254 * Z  +  -1.678579
  Y_new =  -0.643036 * X  +   0.385662 * Y  +   0.661641 * Z  +  15.938544
  Z_new =   0.019598 * X  +   0.871950 * Y  +  -0.489202 * Z  +  44.476177 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.442975 -0.019599  2.082078   [DEG: -139.9722   -1.1229  119.2943 ]
ZXZ: -2.431981  2.081971  0.022472   [DEG: -139.3422  119.2881    1.2875 ]
 
# END of job
