
#######################################################
#                                                     #
#                        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:    53       4_A - 56_A        4.81    21.28
  LONGEST_CONTINUOUS_SEGMENT:    53      43_A - 95_A        4.97    21.29
  LONGEST_CONTINUOUS_SEGMENT:    53      46_A - 98_A        5.00    20.93
  LONGEST_CONTINUOUS_SEGMENT:    53      47_A - 99_A        4.98    20.78
  LONGEST_CONTINUOUS_SEGMENT:    53      48_A - 100_A       4.68    20.56
  LCS_AVERAGE:     54.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      52_A - 100_A       1.29    20.04
  LCS_AVERAGE:     47.23

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48      53_A - 100_A       0.60    19.95
  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     13   39   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     I     5_A     I     5_A     44   45   53     26   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     K     6_A     K     6_A     44   45   53     31   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     G     7_A     G     7_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     Y     8_A     Y     8_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     E     9_A     E     9_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     Y    10_A     Y    10_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     Q    11_A     Q    11_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   55 
LCS_GDT     L    12_A     L    12_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   56 
LCS_GDT     Y    13_A     Y    13_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   54   56   59 
LCS_GDT     V    14_A     V    14_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     Y    15_A     Y    15_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     A    16_A     A    16_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     S    17_A     S    17_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     D    18_A     D    18_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     K    19_A     K    19_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     L    20_A     L    20_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   59 
LCS_GDT     F    21_A     F    21_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   54   56   59 
LCS_GDT     R    22_A     R    22_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   52   53   53   54   56   59 
LCS_GDT     A    23_A     A    23_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     D    24_A     D    24_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     I    25_A     I    25_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     S    26_A     S    26_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     E    27_A     E    27_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     D    28_A     D    28_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     Y    29_A     Y    29_A     44   45   53     31   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     K    30_A     K    30_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     T    31_A     T    31_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     R    32_A     R    32_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     G    33_A     G    33_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     R    34_A     R    34_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     K    35_A     K    35_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     L    36_A     L    36_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     L    37_A     L    37_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     R    38_A     R    38_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     F    39_A     F    39_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   52   52 
LCS_GDT     N    40_A     N    40_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   49   49   50   51   54   55 
LCS_GDT     G    41_A     G    41_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   51   52   52   53   54   55   56   59 
LCS_GDT     P    42_A     P    42_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   52   52   53   54   55   56   59 
LCS_GDT     V    43_A     V    43_A     44   45   53     30   42   44   44   44   44   44   45   46   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     P    44_A     P    44_A     44   45   53     28   42   44   44   44   44   44   45   46   46   47   48   49   50   51   52   54   55   56   59 
LCS_GDT     P    45_A     P    45_A     44   45   53     36   42   44   44   44   44   44   45   46   46   47   48   48   48   50   51   52   54   56   56 
LCS_GDT     P    46_A     P    46_A     44   45   53      9   42   44   44   44   44   44   45   46   46   47   48   49   50   51   52   54   55   56   59 
LCS_GDT     G    47_A     G    47_A     44   45   53      4   32   44   44   44   44   44   45   46   46   47   48   48   48   49   49   52   52   53   54 
LCS_GDT     G    48_A     G    48_A      4   45   53      3    4    4    7   15   19   33   41   46   46   47   48   48   48   49   49   50   51   52   53 
LCS_GDT     S    49_A     S    49_A      4    6   53      3    4    4    6    7    9   13   15   19   21   29   38   44   47   48   49   50   51   52   53 
LCS_GDT     G    50_A     G    50_A      4    6   53      3    4    4    6    7    8   13   23   26   28   31   33   36   39   47   50   52   53   54   54 
LCS_GDT     G    51_A     G    51_A      4    6   53      3    4    4    5   16   22   30   34   36   40   45   47   49   50   51   52   54   55   56   59 
LCS_GDT     G    52_A     G    52_A      4   49   53      3    3   16   27   33   36   43   45   46   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     E    53_A     E    53_A     48   49   53     23   42   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     W    54_A     W    54_A     48   49   53     36   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     E    55_A     E    55_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     I    56_A     I    56_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     I    57_A     I    57_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     D    58_A     D    58_A     48   49   53     38   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     I    59_A     I    59_A     48   49   53     17   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     G    60_A     G    60_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     P    61_A     P    61_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     F    62_A     F    62_A     48   49   53     38   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     T    63_A     T    63_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     Q    64_A     Q    64_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     N    65_A     N    65_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     L    66_A     L    66_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     G    67_A     G    67_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     K    68_A     K    68_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     F    69_A     F    69_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     A    70_A     A    70_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     V    71_A     V    71_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     D    72_A     D    72_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     E    73_A     E    73_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     E    74_A     E    74_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     N    75_A     N    75_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     K    76_A     K    76_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     I    77_A     I    77_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     G    78_A     G    78_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     Q    79_A     Q    79_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     Y    80_A     Y    80_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     G    81_A     G    81_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     R    82_A     R    82_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     L    83_A     L    83_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     T    84_A     T    84_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     F    85_A     F    85_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     N    86_A     N    86_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     K    87_A     K    87_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     V    88_A     V    88_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     I    89_A     I    89_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     R    90_A     R    90_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     P    91_A     P    91_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     C    92_A     C    92_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     M    93_A     M    93_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     K    94_A     K    94_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     K    95_A     K    95_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     T    96_A     T    96_A     48   49   53     39   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     I    97_A     I    97_A     48   49   53     15   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     Y    98_A     Y    98_A     48   49   53      4   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     E    99_A     E    99_A     48   49   53      3   46   47   48   48   48   48   48   48   49   50   50   51   52   52   53   54   55   56   59 
LCS_GDT     N   100_A     N   100_A     48   49   53      3    8   47   48   48   48   48   48   48   49   50   50   51   52   52   53   53   55   56   59 
LCS_AVERAGE  LCS_A:  49.05  (  45.28   47.23   54.64 )

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     39     46     47     48     48     48     48     48     48     49     50     50     51     52     52     53     54     55     56     59 
GDT PERCENT_AT  40.21  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  57.73  60.82
GDT RMS_LOCAL    0.26   0.44   0.51   0.60   0.60   0.60   0.60   0.60   0.60   1.29   1.80   1.80   2.30   2.80   2.80   3.18   3.79   3.82   4.19   5.14
GDT RMS_ALL_AT  19.96  19.95  19.97  19.95  19.95  19.95  19.95  19.95  19.95  20.04  20.01  20.01  19.94  19.89  19.89  19.80  20.15  20.08  20.12  19.81

# 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    41.865     4    0.062   0.069    44.485    0.000    0.000
LGA    I     5_A      I     5_A    37.308     0    0.061   0.087    40.967    0.000    0.000
LGA    K     6_A      K     6_A    40.389     0    0.019   0.702    44.172    0.000    0.000
LGA    G     7_A      G     7_A    35.249     0    0.048   0.048    36.476    0.000    0.000
LGA    Y     8_A      Y     8_A    28.243     0    0.013   1.233    31.112    0.000    0.000
LGA    E     9_A      E     9_A    23.829     0    0.032   1.039    26.394    0.000    0.000
LGA    Y    10_A      Y    10_A    19.282     0    0.026   1.258    27.826    0.000    0.000
LGA    Q    11_A      Q    11_A    13.486     0    0.024   1.169    15.126    0.000    0.794
LGA    L    12_A      L    12_A    15.644     0    0.011   0.657    22.581    0.000    0.000
LGA    Y    13_A      Y    13_A    15.485     0    0.025   0.177    19.973    0.000    6.310
LGA    V    14_A      V    14_A    22.368     0    0.029   1.205    24.538    0.000    0.000
LGA    Y    15_A      Y    15_A    26.690     0    0.034   0.045    30.280    0.000    0.000
LGA    A    16_A      A    16_A    30.438     0    0.036   0.036    30.821    0.000    0.000
LGA    S    17_A      S    17_A    34.111     0    0.062   0.062    35.229    0.000    0.000
LGA    D    18_A      D    18_A    32.645     0    0.034   0.230    39.216    0.000    0.000
LGA    K    19_A      K    19_A    24.998     0    0.019   0.746    27.841    0.000    0.000
LGA    L    20_A      L    20_A    19.734     0    0.014   0.055    21.341    0.000    0.000
LGA    F    21_A      F    21_A    15.904     0    0.002   1.220    21.361    0.000    0.000
LGA    R    22_A      R    22_A    12.000     0    0.038   0.956    14.432    0.000    1.515
LGA    A    23_A      A    23_A    17.926     0    0.016   0.023    20.464    0.000    0.000
LGA    D    24_A      D    24_A    19.497     0    0.030   1.095    24.042    0.000    0.000
LGA    I    25_A      I    25_A    26.139     0    0.028   0.079    29.746    0.000    0.000
LGA    S    26_A      S    26_A    30.782     0    0.036   0.627    34.145    0.000    0.000
LGA    E    27_A      E    27_A    35.211     0    0.025   1.018    36.654    0.000    0.000
LGA    D    28_A      D    28_A    41.016     0    0.019   1.107    46.600    0.000    0.000
LGA    Y    29_A      Y    29_A    40.631     0    0.025   1.391    43.421    0.000    0.000
LGA    K    30_A      K    30_A    48.175     0    0.014   0.579    51.878    0.000    0.000
LGA    T    31_A      T    31_A    50.400     0    0.014   0.077    53.328    0.000    0.000
LGA    R    32_A      R    32_A    44.201     0    0.019   0.907    46.022    0.000    0.000
LGA    G    33_A      G    33_A    45.526     0    0.114   0.114    45.526    0.000    0.000
LGA    R    34_A      R    34_A    39.382     0    0.023   0.199    42.053    0.000    0.000
LGA    K    35_A      K    35_A    36.862     0    0.008   0.051    40.481    0.000    0.000
LGA    L    36_A      L    36_A    31.095     0    0.022   0.052    33.698    0.000    0.000
LGA    L    37_A      L    37_A    27.751     0    0.040   0.086    31.118    0.000    0.000
LGA    R    38_A      R    38_A    21.724     0    0.053   1.072    23.746    0.000    0.000
LGA    F    39_A      F    39_A    19.475     0    0.036   0.056    24.174    0.000    0.000
LGA    N    40_A      N    40_A    12.877     0    0.026   0.796    15.043    0.000    0.000
LGA    G    41_A      G    41_A    10.903     0    0.017   0.017    11.960    0.000    0.000
LGA    P    42_A      P    42_A    13.347     0    0.023   0.053    16.472    0.357    0.204
LGA    V    43_A      V    43_A     9.763     0    0.037   0.096    14.198    0.119    2.653
LGA    P    44_A      P    44_A    14.410     0    0.042   0.211    14.662    0.000    0.000
LGA    P    45_A      P    45_A    17.363     0    0.041   0.371    21.556    0.000    0.000
LGA    P    46_A      P    46_A    13.961     0    0.033   0.338    18.317    0.000    0.000
LGA    G    47_A      G    47_A    18.818     0    0.696   0.696    20.966    0.000    0.000
LGA    G    48_A      G    48_A    21.459     0    0.511   0.511    21.459    0.000    0.000
LGA    S    49_A      S    49_A    21.376     0    0.105   0.728    25.778    0.000    0.000
LGA    G    50_A      G    50_A    17.523     0    0.020   0.020    19.018    0.000    0.000
LGA    G    51_A      G    51_A    13.681     0    0.014   0.014    15.247    0.000    0.000
LGA    G    52_A      G    52_A     8.316     0    0.142   0.142    10.029   10.833   10.833
LGA    E    53_A      E    53_A     1.714     0    0.620   1.011     8.049   68.214   45.820
LGA    W    54_A      W    54_A     0.847     0    0.111   0.093     1.724   83.810   87.279
LGA    E    55_A      E    55_A     0.372     0    0.083   0.915     4.313   97.619   82.434
LGA    I    56_A      I    56_A     0.270     0    0.042   0.612     2.256  100.000   95.595
LGA    I    57_A      I    57_A     0.300     0    0.070   0.101     0.467  100.000  100.000
LGA    D    58_A      D    58_A     0.674     0    0.092   0.473     2.389   88.214   81.726
LGA    I    59_A      I    59_A     0.912     0    0.379   1.407     3.207   79.881   71.726
LGA    G    60_A      G    60_A     0.334     0    0.026   0.026     0.640   97.619   97.619
LGA    P    61_A      P    61_A     0.219     0    0.025   0.034     0.352  100.000  100.000
LGA    F    62_A      F    62_A     0.480     0    0.041   0.195     1.301  100.000   90.649
LGA    T    63_A      T    63_A     0.464     0    0.011   1.109     2.819  100.000   88.639
LGA    Q    64_A      Q    64_A     0.318     0    0.017   0.132     0.965  100.000   96.825
LGA    N    65_A      N    65_A     0.346     0    0.063   0.210     1.087  100.000   94.107
LGA    L    66_A      L    66_A     0.142     0    0.040   0.227     0.691  100.000   98.810
LGA    G    67_A      G    67_A     0.158     0    0.019   0.019     0.189  100.000  100.000
LGA    K    68_A      K    68_A     0.131     0    0.048   1.314     6.347  100.000   74.603
LGA    F    69_A      F    69_A     0.088     0    0.009   0.085     0.569  100.000   98.268
LGA    A    70_A      A    70_A     0.075     0    0.022   0.026     0.150  100.000  100.000
LGA    V    71_A      V    71_A     0.077     0    0.017   0.037     0.188  100.000  100.000
LGA    D    72_A      D    72_A     0.179     0    0.018   0.052     0.489  100.000  100.000
LGA    E    73_A      E    73_A     0.167     0    0.027   0.116     0.369  100.000  100.000
LGA    E    74_A      E    74_A     0.135     0    0.057   0.075     0.332  100.000  100.000
LGA    N    75_A      N    75_A     0.068     0    0.028   0.082     0.315  100.000  100.000
LGA    K    76_A      K    76_A     0.152     0    0.021   0.123     0.607  100.000   98.942
LGA    I    77_A      I    77_A     0.535     0    0.018   0.086     0.845   92.857   91.667
LGA    G    78_A      G    78_A     0.576     0    0.010   0.010     0.691   92.857   92.857
LGA    Q    79_A      Q    79_A     0.647     0    0.032   0.071     0.823   90.476   90.476
LGA    Y    80_A      Y    80_A     0.509     0    0.021   0.073     0.579   90.476   96.825
LGA    G    81_A      G    81_A     0.699     0    0.022   0.022     0.699   95.238   95.238
LGA    R    82_A      R    82_A     0.348     0    0.066   1.125     5.604   97.619   79.394
LGA    L    83_A      L    83_A     0.114     0    0.018   0.099     0.303  100.000  100.000
LGA    T    84_A      T    84_A     0.084     0    0.024   0.064     0.256  100.000  100.000
LGA    F    85_A      F    85_A     0.041     0    0.009   0.073     0.243  100.000  100.000
LGA    N    86_A      N    86_A     0.207     0    0.009   0.348     1.028  100.000   96.488
LGA    K    87_A      K    87_A     0.331     0    0.051   0.119     1.213  100.000   95.820
LGA    V    88_A      V    88_A     0.306     0    0.028   0.056     0.375  100.000  100.000
LGA    I    89_A      I    89_A     0.228     0    0.026   0.039     0.315  100.000  100.000
LGA    R    90_A      R    90_A     0.235     0    0.025   1.161     5.564  100.000   79.740
LGA    P    91_A      P    91_A     0.164     0    0.019   0.052     0.316  100.000  100.000
LGA    C    92_A      C    92_A     0.124     0    0.055   0.077     0.314  100.000  100.000
LGA    M    93_A      M    93_A     0.507     0    0.020   0.276     1.205   92.857   91.726
LGA    K    94_A      K    94_A     0.634     0    0.029   0.213     2.159   92.857   86.667
LGA    K    95_A      K    95_A     0.738     0    0.027   0.670     2.937   90.476   83.069
LGA    T    96_A      T    96_A     0.568     0    0.021   0.047     1.114   92.857   90.544
LGA    I    97_A      I    97_A     0.818     0    0.024   0.658     1.506   90.476   84.881
LGA    Y    98_A      Y    98_A     0.967     0    0.035   0.087     1.452   85.952   84.444
LGA    E    99_A      E    99_A     1.026     0    0.035   0.782     2.091   81.548   78.730
LGA    N   100_A      N   100_A     2.102     0    0.279   0.460     4.462   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):    16.326         16.273                 16.573           47.280   45.375

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     48    0.60    50.258    49.446     6.874

LGA_LOCAL      RMSD:   0.598  Number of atoms:   48  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.950  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:  16.326  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.047086 * X  +  -0.996020 * Y  +   0.075682 * Z  +  -1.439959
  Y_new =  -0.948482 * X  +   0.068346 * Y  +   0.309370 * Z  +  15.393782
  Z_new =  -0.313312 * X  +  -0.057215 * Y  +  -0.947925 * Z  +  45.220116 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.620400  0.318678 -3.081307   [DEG:  -92.8421   18.2589 -176.5459 ]
ZXZ:  2.901674  2.817454 -1.751421   [DEG:  166.2536  161.4282 -100.3491 ]
 
# END of job
