
#######################################################
#                                                     #
#                        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   92 (  680),  selected   92 , name one
# Molecule2: number of CA atoms   92 (  680),  selected   92 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       3_A - 92_A        4.98     5.48
  LCS_AVERAGE:     97.80

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78       6_A - 83_A        1.99     6.13
  LONGEST_CONTINUOUS_SEGMENT:    78       7_A - 84_A        1.97     6.14
  LCS_AVERAGE:     74.28

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      50_A - 78_A        0.94     6.37
  LONGEST_CONTINUOUS_SEGMENT:    29      51_A - 79_A        0.94     6.42
  LCS_AVERAGE:     21.60

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   92
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     G     1_A     G     1_A      5    6   89      3    5    5    5    6    6    8   13   20   31   48   60   70   74   83   83   83   84   84   85 
LCS_GDT     H     2_A     H     2_A      5    6   89      3    5    5    5    6    6    7    7   11   12   15   22   28   31   67   75   78   84   84   84 
LCS_GDT     M     3_A     M     3_A      5    6   90      3    5    5    5    6    6    7   13   19   26   48   53   68   73   83   83   83   84   84   85 
LCS_GDT     S     4_A     S     4_A      5    6   90      0    5    5    5   15   22   34   51   63   73   81   81   81   82   83   83   83   84   84   85 
LCS_GDT     G     5_A     G     5_A      5    6   90      2    5    5    5   13   33   41   48   65   76   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     D     6_A     D     6_A      4   78   90      3    4    4    5   18   50   69   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     N     7_A     N     7_A      4   78   90      3    4    4    4   22   46   70   75   79   79   81   81   82   82   83   83   83   84   84   86 
LCS_GDT     G     8_A     G     8_A      4   78   90     14   24   50   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     G     9_A     G     9_A      9   78   90      3    9   21   35   53   68   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     G    10_A     G    10_A     12   78   90      3   12   26   48   63   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     E    11_A     E    11_A     23   78   90      4   14   29   49   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     R    12_A     R    12_A     23   78   90      6   24   50   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     R    13_A     R    13_A     23   78   90     14   36   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     K    14_A     K    14_A     23   78   90     14   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     G    15_A     G    15_A     23   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     S    16_A     S    16_A     23   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     V    17_A     V    17_A     23   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     K    18_A     K    18_A     23   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     W    19_A     W    19_A     23   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     F    20_A     F    20_A     23   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     D    21_A     D    21_A     23   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     T    22_A     T    22_A     23   78   90      6   19   49   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     Q    23_A     Q    23_A     23   78   90     11   31   50   61   63   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     K    24_A     K    24_A     23   78   90      6    8   32   56   63   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     G    25_A     G    25_A     23   78   90      6   15   32   54   62   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     F    26_A     F    26_A     23   78   90      8   22   47   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     G    27_A     G    27_A     23   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     F    28_A     F    28_A     23   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     I    29_A     I    29_A     23   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     T    30_A     T    30_A     23   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     P    31_A     P    31_A     23   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     D    32_A     D    32_A     23   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     D    33_A     D    33_A     23   78   90     12   34   51   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     G    34_A     G    34_A     19   78   90      3    5    6   45   57   67   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     G    35_A     G    35_A     19   78   90     13   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     D    36_A     D    36_A     19   78   90     13   36   51   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     D    37_A     D    37_A     19   78   90     13   37   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     L    38_A     L    38_A     19   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     F    39_A     F    39_A     19   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     V    40_A     V    40_A     19   78   90     12   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     H    41_A     H    41_A     19   78   90      8   23   46   57   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     Q    42_A     Q    42_A     19   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     S    43_A     S    43_A     19   78   90     16   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     S    44_A     S    44_A     19   78   90      5   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     I    45_A     I    45_A     19   78   90     18   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     R    46_A     R    46_A     13   78   90      8   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     S    47_A     S    47_A     13   78   90      3   27   51   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     E    48_A     E    48_A      9   78   90      3    6   10   21   48   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     G    49_A     G    49_A     13   78   90      3   10   33   53   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     F    50_A     F    50_A     29   78   90      4   22   44   58   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     R    51_A     R    51_A     29   78   90     10   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     S    52_A     S    52_A     29   78   90     10   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     L    53_A     L    53_A     29   78   90     14   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     A    54_A     A    54_A     29   78   90     13   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     A    55_A     A    55_A     29   78   90     10   23   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     E    56_A     E    56_A     29   78   90      7   35   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     E    57_A     E    57_A     29   78   90     16   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     A    58_A     A    58_A     29   78   90     10   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     V    59_A     V    59_A     29   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     E    60_A     E    60_A     29   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     F    61_A     F    61_A     29   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     E    62_A     E    62_A     29   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     V    63_A     V    63_A     29   78   90     10   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     E    64_A     E    64_A     29   78   90     15   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     I    65_A     I    65_A     29   78   90     10   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     D    66_A     D    66_A     29   78   90     10   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     N    67_A     N    67_A     29   78   90     10   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     N    68_A     N    68_A     29   78   90     10   35   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     N    69_A     N    69_A     29   78   90     10   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     R    70_A     R    70_A     29   78   90     10   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     P    71_A     P    71_A     29   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     K    72_A     K    72_A     29   78   90     19   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     A    73_A     A    73_A     29   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     I    74_A     I    74_A     29   78   90      9   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     D    75_A     D    75_A     29   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     V    76_A     V    76_A     29   78   90     20   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     S    77_A     S    77_A     29   78   90     10   38   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     G    78_A     G    78_A     29   78   90     10   37   52   61   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     P    79_A     P    79_A     29   78   90      3   11   40   56   62   68   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     D    80_A     D    80_A     28   78   90      4   18   43   56   62   68   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     G    81_A     G    81_A     11   78   90      4    8   42   56   62   68   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     A    82_A     A    82_A     10   78   90      5   21   47   60   64   69   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     P    83_A     P    83_A     10   78   90      4    9   30   53   64   68   73   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     V    84_A     V    84_A      6   78   90      4    7   10   20   50   62   69   75   79   79   81   81   82   82   83   83   83   84   85   86 
LCS_GDT     Q    85_A     Q    85_A      6   50   90      4    6   10   12   17   27   28   34   42   65   76   81   82   82   83   83   83   84   85   86 
LCS_GDT     G    86_A     G    86_A      6   15   90      4    6   10   14   21   27   31   37   54   67   75   79   82   82   83   83   83   84   85   86 
LCS_GDT     N    87_A     N    87_A      3    5   90      3    3    4    4    6    8   22   27   31   35   39   46   55   64   68   75   81   83   85   86 
LCS_GDT     S    88_A     S    88_A      3    5   90      3    3    4    4    7   10   14   25   29   31   37   40   48   52   62   70   77   83   85   86 
LCS_GDT     G    89_A     G    89_A      3    5   90      3    3    4    4    6    9   22   26   31   31   37   41   48   52   58   66   71   76   80   83 
LCS_GDT     G    90_A     G    90_A      3    5   90      3    3    4    4    6    8    9   13   18   19   26   34   37   40   48   53   64   69   76   80 
LCS_GDT     G    91_A     G    91_A      3    5   90      3    3    3    4    4    7   21   27   33   37   41   49   55   64   73   75   81   83   85   86 
LCS_GDT     S    92_A     S    92_A      3    5   90      3    3    3    4    4    5    8   10   16   23   33   41   45   51   60   74   80   83   85   86 
LCS_AVERAGE  LCS_A:  64.56  (  21.60   74.28   97.80 )

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     20     38     52     61     64     69     73     75     79     79     81     81     82     82     83     83     83     84     85     86 
GDT PERCENT_AT  21.74  41.30  56.52  66.30  69.57  75.00  79.35  81.52  85.87  85.87  88.04  88.04  89.13  89.13  90.22  90.22  90.22  91.30  92.39  93.48
GDT RMS_LOCAL    0.32   0.61   0.87   1.11   1.29   1.54   1.65   1.76   2.04   2.04   2.45   2.45   2.58   2.58   2.75   2.75   2.75   3.08   4.09   4.10
GDT RMS_ALL_AT   6.73   6.59   6.40   6.41   6.20   6.27   6.26   6.24   6.10   6.10   5.95   5.95   5.88   5.88   5.83   5.83   5.83   5.77   5.57   5.58

# Checking swapping
#   possible swapping detected:  D     6_A      D     6_A
#   possible swapping detected:  E    11_A      E    11_A
#   possible swapping detected:  F    26_A      F    26_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  F    39_A      F    39_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  E    62_A      E    62_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  D    75_A      D    75_A
#   possible swapping detected:  D    80_A      D    80_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    15.178     0    0.350   0.350    16.254    0.000    0.000
LGA    H     2_A      H     2_A    16.780     0    0.025   1.176    22.036    0.000    0.000
LGA    M     3_A      M     3_A    14.844     0    0.153   1.174    21.083    0.000    0.000
LGA    S     4_A      S     4_A    10.162     0    0.311   0.305    12.050    5.476    3.730
LGA    G     5_A      G     5_A     9.597     0    0.098   0.098     9.597    2.738    2.738
LGA    D     6_A      D     6_A     5.670     0    0.451   1.133     6.833   27.381   26.964
LGA    N     7_A      N     7_A     4.704     0    0.587   1.249     9.708   45.714   25.476
LGA    G     8_A      G     8_A     1.673     0    0.133   0.133     2.649   64.881   64.881
LGA    G     9_A      G     9_A     5.283     0    0.479   0.479     7.197   24.881   24.881
LGA    G    10_A      G    10_A     3.500     0    0.095   0.095     3.500   50.119   50.119
LGA    E    11_A      E    11_A     3.209     0    0.089   0.150     5.127   57.381   46.984
LGA    R    12_A      R    12_A     1.460     0    0.087   1.356     6.484   71.071   55.974
LGA    R    13_A      R    13_A     0.785     0    0.073   1.380     3.798   90.476   80.563
LGA    K    14_A      K    14_A     0.739     0    0.053   0.788     2.102   92.857   85.820
LGA    G    15_A      G    15_A     0.063     0    0.071   0.071     0.477  100.000  100.000
LGA    S    16_A      S    16_A     0.134     0    0.023   0.647     2.557  100.000   92.857
LGA    V    17_A      V    17_A     0.285     0    0.129   0.181     1.139   92.976   93.265
LGA    K    18_A      K    18_A     0.679     0    0.026   0.822     2.838   92.857   82.910
LGA    W    19_A      W    19_A     0.344     0    0.020   0.576     2.684  100.000   84.592
LGA    F    20_A      F    20_A     0.451     0    0.070   0.102     0.991  100.000   94.805
LGA    D    21_A      D    21_A     0.283     0    0.067   0.340     2.535   92.976   85.298
LGA    T    22_A      T    22_A     2.029     0    0.048   1.216     4.276   67.024   59.048
LGA    Q    23_A      Q    23_A     2.439     0    0.053   1.367     4.182   59.524   58.624
LGA    K    24_A      K    24_A     3.380     0    0.100   0.827     3.897   50.119   50.899
LGA    G    25_A      G    25_A     3.400     0    0.074   0.074     3.400   51.786   51.786
LGA    F    26_A      F    26_A     1.927     0    0.018   0.137     2.483   75.119   69.264
LGA    G    27_A      G    27_A     0.323     0    0.071   0.071     0.822   97.619   97.619
LGA    F    28_A      F    28_A     0.375     0    0.040   0.107     1.292  100.000   91.472
LGA    I    29_A      I    29_A     0.242     0    0.013   0.070     0.548  100.000   98.810
LGA    T    30_A      T    30_A     0.336     0    0.046   0.105     0.592  100.000   98.639
LGA    P    31_A      P    31_A     0.583     0    0.048   0.067     0.783   92.857   91.837
LGA    D    32_A      D    32_A     0.500     0    0.038   1.003     3.333   92.857   85.476
LGA    D    33_A      D    33_A     1.844     0    0.097   0.937     3.671   63.690   62.440
LGA    G    34_A      G    34_A     4.047     0    0.106   0.106     4.047   60.119   60.119
LGA    G    35_A      G    35_A     1.345     0    0.404   0.404     2.827   73.214   73.214
LGA    D    36_A      D    36_A     1.857     0    0.041   0.302     2.616   72.857   67.857
LGA    D    37_A      D    37_A     1.332     0    0.057   0.421     2.769   79.286   77.381
LGA    L    38_A      L    38_A     0.886     0    0.058   1.305     2.767   90.476   80.833
LGA    F    39_A      F    39_A     0.877     0    0.039   0.416     2.213   88.214   81.645
LGA    V    40_A      V    40_A     1.031     0    0.011   0.091     1.643   79.405   82.857
LGA    H    41_A      H    41_A     2.373     0    0.143   0.318     6.078   72.976   47.000
LGA    Q    42_A      Q    42_A     1.311     0    0.090   0.807     3.904   83.810   74.550
LGA    S    43_A      S    43_A     0.732     0    0.113   0.610     3.179   88.214   80.714
LGA    S    44_A      S    44_A     0.936     0    0.092   0.109     1.439   88.214   85.952
LGA    I    45_A      I    45_A     0.295     0    0.120   0.700     1.566   92.976   89.524
LGA    R    46_A      R    46_A     1.110     0    0.457   0.755     6.393   73.690   53.896
LGA    S    47_A      S    47_A     1.675     0    0.058   0.672     2.421   70.952   70.238
LGA    E    48_A      E    48_A     4.164     0    0.054   1.062    10.038   43.452   24.286
LGA    G    49_A      G    49_A     3.520     0    0.140   0.140     3.520   55.833   55.833
LGA    F    50_A      F    50_A     3.074     0    0.041   0.201     5.462   51.786   40.000
LGA    R    51_A      R    51_A     1.529     0    0.130   0.786     1.870   75.000   80.000
LGA    S    52_A      S    52_A     1.206     0    0.020   0.046     1.444   85.952   84.444
LGA    L    53_A      L    53_A     0.629     0    0.059   0.200     1.012   88.214   89.345
LGA    A    54_A      A    54_A     0.746     0    0.049   0.092     0.762   92.857   92.381
LGA    A    55_A      A    55_A     1.612     0    0.623   0.606     3.808   67.619   68.667
LGA    E    56_A      E    56_A     1.799     0    0.021   0.256     3.400   75.000   63.545
LGA    E    57_A      E    57_A     0.882     0    0.077   0.934     4.461   85.952   74.339
LGA    A    58_A      A    58_A     1.080     0    0.098   0.122     1.356   88.214   86.857
LGA    V    59_A      V    59_A     0.645     0    0.030   0.103     0.694   90.476   91.837
LGA    E    60_A      E    60_A     0.832     0    0.016   0.539     1.228   88.214   87.460
LGA    F    61_A      F    61_A     1.126     0    0.088   0.129     1.307   83.690   87.186
LGA    E    62_A      E    62_A     1.047     0    0.037   0.818     3.164   81.429   72.434
LGA    V    63_A      V    63_A     1.247     0    0.020   1.238     2.992   81.429   76.735
LGA    E    64_A      E    64_A     1.195     0    0.028   0.317     1.925   81.429   81.481
LGA    I    65_A      I    65_A     1.208     0    0.025   0.604     1.527   83.690   81.488
LGA    D    66_A      D    66_A     1.043     0    0.053   0.713     2.961   81.429   74.286
LGA    N    67_A      N    67_A     1.005     0    0.047   0.969     3.566   83.690   72.083
LGA    N    68_A      N    68_A     1.254     0    0.068   1.449     4.851   81.429   67.381
LGA    N    69_A      N    69_A     1.188     0    0.089   0.872     2.760   81.429   77.321
LGA    R    70_A      R    70_A     1.048     0    0.048   1.100     6.789   83.690   64.416
LGA    P    71_A      P    71_A     0.900     0    0.025   0.071     1.297   88.214   85.306
LGA    K    72_A      K    72_A     0.840     0    0.033   0.281     1.689   90.476   87.513
LGA    A    73_A      A    73_A     0.842     0    0.033   0.039     1.420   85.952   86.857
LGA    I    74_A      I    74_A     1.742     0    0.012   0.600     2.399   77.143   72.976
LGA    D    75_A      D    75_A     1.618     0    0.051   0.272     2.025   77.143   73.988
LGA    V    76_A      V    76_A     1.312     0    0.039   0.042     1.533   79.286   80.204
LGA    S    77_A      S    77_A     1.392     0    0.068   0.094     1.392   81.429   81.429
LGA    G    78_A      G    78_A     1.459     0    0.037   0.037     1.979   75.000   75.000
LGA    P    79_A      P    79_A     2.824     0    0.670   0.643     5.349   47.857   54.150
LGA    D    80_A      D    80_A     3.401     0    0.156   0.128     4.685   48.571   46.131
LGA    G    81_A      G    81_A     3.116     0    0.043   0.043     3.226   51.786   51.786
LGA    A    82_A      A    82_A     2.074     0    0.106   0.152     2.140   68.810   69.619
LGA    P    83_A      P    83_A     3.214     0    0.022   0.050     5.388   48.571   41.293
LGA    V    84_A      V    84_A     4.731     0    0.092   0.107     6.229   30.000   33.129
LGA    Q    85_A      Q    85_A     8.776     0    0.035   1.015    12.301    3.571    1.640
LGA    G    86_A      G    86_A     9.391     0    0.666   0.666    11.866    1.071    1.071
LGA    N    87_A      N    87_A    14.306     0    0.543   1.068    16.303    0.000    0.000
LGA    S    88_A      S    88_A    16.401     0    0.524   0.464    18.666    0.000    0.000
LGA    G    89_A      G    89_A    19.436     0    0.511   0.511    19.686    0.000    0.000
LGA    G    90_A      G    90_A    22.387     0    0.557   0.557    23.686    0.000    0.000
LGA    G    91_A      G    91_A    19.279     0    0.448   0.448    19.662    0.000    0.000
LGA    S    92_A      S    92_A    20.640     0    0.199   0.227    24.615    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       92     368    368  100.00     680    680  100.00                92
SUMMARY(RMSD_GDC):     5.412          5.378                  5.405           65.691   61.733

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     75    1.76    69.837    74.205     4.026

LGA_LOCAL      RMSD:   1.763  Number of atoms:   75  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.239  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   5.412  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.850939 * X  +   0.006698 * Y  +   0.525221 * Z  +   0.349966
  Y_new =   0.518804 * X  +   0.167051 * Y  +   0.838413 * Z  +  -3.030000
  Z_new =  -0.082123 * X  +   0.985926 * Y  +  -0.145625 * Z  +   0.625343 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.594083  0.082215  1.717440   [DEG:  148.6300    4.7106   98.4021 ]
ZXZ:  2.581954  1.716941 -0.083103   [DEG:  147.9350   98.3735   -4.7615 ]
 
# END of job
