
#######################################################
#                                                     #
#                        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:    89       3_A - 91_A        4.95     6.29
  LONGEST_CONTINUOUS_SEGMENT:    89       4_A - 92_A        4.76     6.44
  LCS_AVERAGE:     96.70

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76       8_A - 83_A        2.00     6.75
  LCS_AVERAGE:     72.59

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      55_A - 78_A        0.99     7.01
  LONGEST_CONTINUOUS_SEGMENT:    24      56_A - 79_A        0.99     7.03
  LCS_AVERAGE:     18.87

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      4    6   87      3    5    5    9    9   10   10   11   11   15   17   19   20   30   33   36   44   50   56   61 
LCS_GDT     H     2_A     H     2_A      4    6   88      3    5    5    9    9   10   10   11   12   19   21   28   33   39   49   59   68   72   76   78 
LCS_GDT     M     3_A     M     3_A      4    6   89      3    5    5    9    9   10   13   16   22   32   42   51   61   68   70   75   79   80   82   82 
LCS_GDT     S     4_A     S     4_A      4    6   89      3    5    5   10   17   28   44   54   64   75   77   79   81   81   81   81   82   83   83   83 
LCS_GDT     G     5_A     G     5_A      4   41   89      3    5   11   20   39   53   70   75   76   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     D     6_A     D     6_A      4   74   89      3    5    5    6    6   61   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     N     7_A     N     7_A      5   75   89      3    4   23   47   61   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     G     8_A     G     8_A      5   76   89      4   14   33   48   61   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     G     9_A     G     9_A      5   76   89      3    5   12   25   50   66   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     G    10_A     G    10_A     12   76   89      3    8   19   33   55   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     E    11_A     E    11_A     23   76   89      3   15   27   49   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     R    12_A     R    12_A     23   76   89      6   19   47   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     R    13_A     R    13_A     23   76   89     13   33   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     K    14_A     K    14_A     23   76   89     12   34   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     G    15_A     G    15_A     23   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     S    16_A     S    16_A     23   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     V    17_A     V    17_A     23   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     K    18_A     K    18_A     23   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     W    19_A     W    19_A     23   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     F    20_A     F    20_A     23   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     D    21_A     D    21_A     23   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     T    22_A     T    22_A     23   76   89      6   17   38   56   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     Q    23_A     Q    23_A     23   76   89      8   26   43   53   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     K    24_A     K    24_A     23   76   89      6    8   30   50   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     G    25_A     G    25_A     23   76   89      6   15   30   50   60   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     F    26_A     F    26_A     23   76   89      7   22   43   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     G    27_A     G    27_A     23   76   89     16   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     F    28_A     F    28_A     23   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     I    29_A     I    29_A     23   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     T    30_A     T    30_A     23   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     P    31_A     P    31_A     23   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     D    32_A     D    32_A     23   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     D    33_A     D    33_A     23   76   89     13   30   47   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     G    34_A     G    34_A     17   76   89      3    4   10   35   59   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     G    35_A     G    35_A     17   76   89     13   35   48   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     D    36_A     D    36_A     17   76   89     13   31   45   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     D    37_A     D    37_A     17   76   89     13   35   48   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     L    38_A     L    38_A     17   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     F    39_A     F    39_A     17   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     V    40_A     V    40_A     17   76   89     13   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     H    41_A     H    41_A     17   76   89      5   24   43   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     Q    42_A     Q    42_A     17   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     S    43_A     S    43_A     17   76   89     15   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     S    44_A     S    44_A     13   76   89      5   32   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     I    45_A     I    45_A     13   76   89     18   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     R    46_A     R    46_A     13   76   89      5   32   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     S    47_A     S    47_A     13   76   89      3   28   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     E    48_A     E    48_A     11   76   89      3    7    9   32   48   66   71   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     G    49_A     G    49_A     15   76   89      4   11   31   53   62   66   71   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     F    50_A     F    50_A     17   76   89      6   18   40   55   62   66   71   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     R    51_A     R    51_A     17   76   89      7   32   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     S    52_A     S    52_A     17   76   89     11   29   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     L    53_A     L    53_A     17   76   89     13   32   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     A    54_A     A    54_A     17   76   89     12   32   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     A    55_A     A    55_A     24   76   89      7   25   47   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     E    56_A     E    56_A     24   76   89      5   23   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     E    57_A     E    57_A     24   76   89     13   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     A    58_A     A    58_A     24   76   89      7   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     V    59_A     V    59_A     24   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     E    60_A     E    60_A     24   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     F    61_A     F    61_A     24   76   89     12   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     E    62_A     E    62_A     24   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     V    63_A     V    63_A     24   76   89     18   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     E    64_A     E    64_A     24   76   89      8   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     I    65_A     I    65_A     24   76   89      6   34   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     D    66_A     D    66_A     24   76   89      6   23   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     N    67_A     N    67_A     24   76   89      6   23   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     N    68_A     N    68_A     24   76   89      6   18   47   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     N    69_A     N    69_A     24   76   89      6   23   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     R    70_A     R    70_A     24   76   89      5   29   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     P    71_A     P    71_A     24   76   89     18   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     K    72_A     K    72_A     24   76   89      9   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     A    73_A     A    73_A     24   76   89     18   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     I    74_A     I    74_A     24   76   89      9   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     D    75_A     D    75_A     24   76   89     19   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     V    76_A     V    76_A     24   76   89     12   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     S    77_A     S    77_A     24   76   89     12   35   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     G    78_A     G    78_A     24   76   89     12   32   49   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     P    79_A     P    79_A     24   76   89      3   12   35   54   61   66   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     D    80_A     D    80_A     23   76   89      4   18   37   54   60   66   69   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     G    81_A     G    81_A     11   76   89      4    8   31   54   60   66   69   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     A    82_A     A    82_A      9   76   89      4    9   44   57   62   67   72   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     P    83_A     P    83_A      8   76   89      4    8   21   47   60   65   71   75   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     V    84_A     V    84_A      5   75   89      4    8    9   20   40   58   67   73   79   79   80   80   81   81   82   82   82   83   85   86 
LCS_GDT     Q    85_A     Q    85_A      5   29   89      4    5    9   11   18   27   28   32   39   61   72   75   81   81   82   82   82   83   85   86 
LCS_GDT     G    86_A     G    86_A      5   15   89      4    5    9   13   19   27   28   36   54   61   72   74   79   81   82   82   82   83   85   86 
LCS_GDT     N    87_A     N    87_A      3    6   89      3    4    6    7    7    9   15   26   30   32   39   45   53   62   72   76   79   83   85   86 
LCS_GDT     S    88_A     S    88_A      3    6   89      3    4    6    7   10   17   23   27   30   32   39   45   53   58   72   76   79   81   83   86 
LCS_GDT     G    89_A     G    89_A      3    6   89      3    4    6    7    8   16   23   27   30   32   38   42   48   54   64   71   73   80   80   86 
LCS_GDT     G    90_A     G    90_A      3    6   89      3    3    4    5    8   16   22   27   30   32   39   45   53   57   67   76   78   81   81   86 
LCS_GDT     G    91_A     G    91_A      3    6   89      3    3    8   11   18   27   28   33   39   49   59   67   71   77   79   80   82   83   85   86 
LCS_GDT     S    92_A     S    92_A      3    5   89      3    3    3    4    5    6    9   11   22   30   33   49   68   73   74   76   79   81   85   86 
LCS_AVERAGE  LCS_A:  62.72  (  18.87   72.59   96.70 )

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     19     35     49     57     62     67     72     75     79     79     80     80     81     81     82     82     82     83     85     86 
GDT PERCENT_AT  20.65  38.04  53.26  61.96  67.39  72.83  78.26  81.52  85.87  85.87  86.96  86.96  88.04  88.04  89.13  89.13  89.13  90.22  92.39  93.48
GDT RMS_LOCAL    0.35   0.58   0.95   1.13   1.32   1.58   1.83   1.92   2.15   2.15   2.28   2.28   2.48   2.48   2.68   2.68   2.68   2.94   3.76   4.02
GDT RMS_ALL_AT   6.97   7.01   6.89   6.85   6.91   6.80   6.78   6.77   6.69   6.69   6.64   6.64   6.60   6.60   6.56   6.56   6.56   6.51   6.46   6.48

# Checking swapping
#   possible swapping detected:  E    11_A      E    11_A
#   possible swapping detected:  F    26_A      F    26_A
#   possible swapping detected:  D    32_A      D    32_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:  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    27.984     0    0.396   0.396    28.771    0.000    0.000
LGA    H     2_A      H     2_A    22.562     0    0.076   1.176    24.383    0.000    0.000
LGA    M     3_A      M     3_A    18.416     0    0.113   1.253    20.328    0.000    0.000
LGA    S     4_A      S     4_A    12.126     0    0.154   0.155    14.566    0.357    0.238
LGA    G     5_A      G     5_A     7.448     0    0.412   0.412     9.326   21.905   21.905
LGA    D     6_A      D     6_A     4.826     0    0.437   1.106     9.078   30.357   18.750
LGA    N     7_A      N     7_A     4.013     0    0.370   1.131     8.158   34.405   24.643
LGA    G     8_A      G     8_A     3.760     0    0.095   0.095     4.096   41.786   41.786
LGA    G     9_A      G     9_A     5.071     0    0.514   0.514     7.206   24.881   24.881
LGA    G    10_A      G    10_A     3.759     0    0.350   0.350     3.759   46.667   46.667
LGA    E    11_A      E    11_A     2.729     0    0.162   0.214     3.638   63.214   55.926
LGA    R    12_A      R    12_A     1.610     0    0.103   1.415     6.971   68.929   50.476
LGA    R    13_A      R    13_A     0.557     0    0.089   1.452     4.572   92.857   77.489
LGA    K    14_A      K    14_A     0.558     0    0.068   0.793     2.508   92.857   84.974
LGA    G    15_A      G    15_A     0.243     0    0.081   0.081     0.665   97.619   97.619
LGA    S    16_A      S    16_A     0.234     0    0.018   0.691     2.512  100.000   92.857
LGA    V    17_A      V    17_A     0.234     0    0.114   0.187     0.808   97.619   98.639
LGA    K    18_A      K    18_A     0.681     0    0.023   0.837     2.768   90.476   80.952
LGA    W    19_A      W    19_A     0.539     0    0.015   0.592     2.717   90.476   81.190
LGA    F    20_A      F    20_A     0.531     0    0.064   0.090     0.947   90.476   90.476
LGA    D    21_A      D    21_A     0.460     0    0.068   0.307     1.831   88.571   86.190
LGA    T    22_A      T    22_A     2.560     0    0.071   1.213     4.770   59.286   50.816
LGA    Q    23_A      Q    23_A     2.894     0    0.062   1.141     4.009   53.810   55.185
LGA    K    24_A      K    24_A     3.442     0    0.082   0.134     5.442   46.905   43.280
LGA    G    25_A      G    25_A     3.620     0    0.078   0.078     3.620   48.333   48.333
LGA    F    26_A      F    26_A     2.055     0    0.008   0.155     2.566   71.190   66.450
LGA    G    27_A      G    27_A     0.474     0    0.071   0.071     0.944   97.619   97.619
LGA    F    28_A      F    28_A     0.372     0    0.048   0.100     1.348  100.000   91.472
LGA    I    29_A      I    29_A     0.174     0    0.015   0.083     0.496  100.000  100.000
LGA    T    30_A      T    30_A     0.300     0    0.046   0.104     0.537  100.000   98.639
LGA    P    31_A      P    31_A     0.470     0    0.053   0.067     0.666   97.619   95.918
LGA    D    32_A      D    32_A     0.414     0    0.034   0.140     0.719   95.238   96.429
LGA    D    33_A      D    33_A     1.743     0    0.135   1.067     5.101   65.357   51.667
LGA    G    34_A      G    34_A     3.952     0    0.208   0.208     3.952   59.524   59.524
LGA    G    35_A      G    35_A     1.260     0    0.418   0.418     2.644   75.357   75.357
LGA    D    36_A      D    36_A     1.802     0    0.038   0.187     2.526   72.857   67.857
LGA    D    37_A      D    37_A     1.375     0    0.067   0.426     2.874   79.286   77.381
LGA    L    38_A      L    38_A     0.807     0    0.067   1.314     2.960   90.476   81.964
LGA    F    39_A      F    39_A     0.819     0    0.054   0.399     2.085   88.214   82.468
LGA    V    40_A      V    40_A     0.885     0    0.011   0.106     1.477   85.952   87.891
LGA    H    41_A      H    41_A     2.162     0    0.159   0.311     5.621   72.976   49.190
LGA    Q    42_A      Q    42_A     1.120     0    0.070   0.938     4.557   85.952   75.079
LGA    S    43_A      S    43_A     0.570     0    0.134   0.612     2.768   88.214   83.413
LGA    S    44_A      S    44_A     1.047     0    0.090   0.080     1.421   85.952   84.444
LGA    I    45_A      I    45_A     0.477     0    0.117   0.691     1.534   92.976   89.524
LGA    R    46_A      R    46_A     1.371     0    0.424   1.061     9.842   77.619   44.416
LGA    S    47_A      S    47_A     1.740     0    0.053   0.654     2.625   67.143   67.698
LGA    E    48_A      E    48_A     4.451     0    0.074   0.918     9.152   37.262   22.169
LGA    G    49_A      G    49_A     4.015     0    0.158   0.158     4.015   46.905   46.905
LGA    F    50_A      F    50_A     3.518     0    0.085   0.783     5.896   45.000   40.130
LGA    R    51_A      R    51_A     1.656     0    0.166   0.788     2.080   70.833   74.502
LGA    S    52_A      S    52_A     1.575     0    0.009   0.029     1.806   79.405   77.222
LGA    L    53_A      L    53_A     1.090     0    0.076   0.252     1.557   79.286   84.881
LGA    A    54_A      A    54_A     1.271     0    0.042   0.082     1.271   83.690   83.238
LGA    A    55_A      A    55_A     1.959     0    0.622   0.605     3.838   63.452   63.714
LGA    E    56_A      E    56_A     2.166     0    0.018   0.194     3.712   68.810   58.466
LGA    E    57_A      E    57_A     1.053     0    0.085   0.944     4.149   81.429   75.026
LGA    A    58_A      A    58_A     1.154     0    0.102   0.131     1.411   85.952   85.048
LGA    V    59_A      V    59_A     0.586     0    0.024   0.137     0.837   90.476   91.837
LGA    E    60_A      E    60_A     0.978     0    0.023   0.692     1.826   85.952   83.492
LGA    F    61_A      F    61_A     1.196     0    0.103   0.156     1.429   81.429   85.541
LGA    E    62_A      E    62_A     0.896     0    0.042   0.815     3.221   88.214   77.407
LGA    V    63_A      V    63_A     1.026     0    0.042   1.217     3.073   88.214   79.592
LGA    E    64_A      E    64_A     0.875     0    0.024   0.335     1.462   88.214   89.524
LGA    I    65_A      I    65_A     1.218     0    0.035   0.569     1.598   83.690   81.488
LGA    D    66_A      D    66_A     1.646     0    0.034   0.135     2.394   75.000   70.893
LGA    N    67_A      N    67_A     1.865     0    0.070   1.228     5.251   68.810   56.131
LGA    N    68_A      N    68_A     2.195     0    0.078   1.050     5.929   68.810   56.845
LGA    N    69_A      N    69_A     1.628     0    0.121   0.993     3.772   75.000   67.262
LGA    R    70_A      R    70_A     1.559     0    0.030   1.134     7.955   77.143   54.069
LGA    P    71_A      P    71_A     0.737     0    0.032   0.077     1.251   88.214   86.599
LGA    K    72_A      K    72_A     0.951     0    0.034   0.218     1.420   90.476   88.466
LGA    A    73_A      A    73_A     0.914     0    0.037   0.042     1.360   85.952   85.048
LGA    I    74_A      I    74_A     1.553     0    0.009   0.615     2.356   79.286   75.060
LGA    D    75_A      D    75_A     1.443     0    0.052   0.180     1.591   79.286   79.286
LGA    V    76_A      V    76_A     1.318     0    0.027   0.034     1.582   79.286   80.204
LGA    S    77_A      S    77_A     1.477     0    0.075   0.120     1.524   81.429   80.000
LGA    G    78_A      G    78_A     1.618     0    0.032   0.032     2.182   70.833   70.833
LGA    P    79_A      P    79_A     2.837     0    0.673   0.681     5.439   47.857   55.170
LGA    D    80_A      D    80_A     3.431     0    0.139   0.298     4.738   46.905   46.190
LGA    G    81_A      G    81_A     3.420     0    0.037   0.037     3.670   48.333   48.333
LGA    A    82_A      A    82_A     2.385     0    0.105   0.151     2.385   66.786   68.000
LGA    P    83_A      P    83_A     3.849     0    0.039   0.058     6.148   42.024   34.014
LGA    V    84_A      V    84_A     4.996     0    0.094   0.109     6.855   26.310   31.020
LGA    Q    85_A      Q    85_A     9.416     0    0.081   0.936    13.162    2.143    0.952
LGA    G    86_A      G    86_A    10.124     0    0.672   0.672    12.635    0.119    0.119
LGA    N    87_A      N    87_A    14.981     0    0.367   0.846    17.370    0.000    0.000
LGA    S    88_A      S    88_A    16.383     0    0.522   0.476    17.283    0.000    0.000
LGA    G    89_A      G    89_A    19.167     0    0.509   0.509    19.167    0.000    0.000
LGA    G    90_A      G    90_A    19.364     0    0.552   0.552    19.364    0.000    0.000
LGA    G    91_A      G    91_A    16.102     0    0.643   0.643    17.206    0.000    0.000
LGA    S    92_A      S    92_A    17.908     0    0.195   0.234    20.186    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):     6.158          6.085                  5.918           63.908   60.134

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     75    1.92    67.663    72.429     3.709

LGA_LOCAL      RMSD:   1.922  Number of atoms:   75  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.766  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   6.158  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.449649 * X  +   0.288712 * Y  +   0.845258 * Z  +   2.653658
  Y_new =   0.067739 * X  +  -0.932573 * Y  +   0.354570 * Z  +  -1.576681
  Z_new =   0.890633 * X  +   0.216689 * Y  +   0.399774 * Z  +   3.726490 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.992069 -1.098735  0.496703   [DEG:  171.4329  -62.9529   28.4590 ]
ZXZ:  1.967983  1.159526  1.332136   [DEG:  112.7571   66.4360   76.3257 ]
 
# END of job
