
#######################################################
#                                                     #
#                        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:    87       5_A - 91_A        5.00     6.44
  LONGEST_CONTINUOUS_SEGMENT:    87       6_A - 92_A        4.88     6.49
  LCS_AVERAGE:     93.62

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58      11_A - 68_A        1.99     7.63
  LCS_AVERAGE:     51.29

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      12_A - 32_A        0.98     7.46
  LCS_AVERAGE:     14.51

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      3    6   12      3    3    4    4    5    7    7    9   13   14   17   18   19   20   23   24   26   28   29   32 
LCS_GDT     H     2_A     H     2_A      3    6   85      3    3    3    4    4    6    7    9   13   14   17   18   20   22   24   47   56   60   67   79 
LCS_GDT     M     3_A     M     3_A      3    6   85      3    3    6    6    6    7    7    8   13   14   16   18   19   20   26   27   35   45   67   72 
LCS_GDT     S     4_A     S     4_A      3    6   86      3    3    6    6    6    7    7    9   13   14   17   29   36   41   50   55   65   77   83   87 
LCS_GDT     G     5_A     G     5_A      3    6   87      3    3    6    6    6    7    9   10   14   16   24   35   40   43   51   61   71   80   84   87 
LCS_GDT     D     6_A     D     6_A      3    6   87      3    3    6    6   12   20   31   40   52   59   64   72   76   78   78   80   82   83   84   87 
LCS_GDT     N     7_A     N     7_A      4   26   87      3    4   16   30   40   54   64   69   73   75   75   78   78   80   80   80   82   83   84   87 
LCS_GDT     G     8_A     G     8_A      4   40   87      3    4   14   32   43   54   64   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     G     9_A     G     9_A      7   40   87      4    8   14   19   33   50   61   68   72   74   76   78   78   80   80   80   82   83   84   84 
LCS_GDT     G    10_A     G    10_A      8   40   87      4    8   14   23   45   57   64   71   72   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     E    11_A     E    11_A     12   58   87      4   15   36   50   60   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     R    12_A     R    12_A     21   58   87      6   23   45   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     R    13_A     R    13_A     21   58   87     11   31   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     K    14_A     K    14_A     21   58   87     13   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     G    15_A     G    15_A     21   58   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     S    16_A     S    16_A     21   58   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     V    17_A     V    17_A     21   58   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     K    18_A     K    18_A     21   58   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     W    19_A     W    19_A     21   58   87     13   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     F    20_A     F    20_A     21   58   87     11   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     D    21_A     D    21_A     21   58   87     15   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     T    22_A     T    22_A     21   58   87      6   11   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     Q    23_A     Q    23_A     21   58   87      6   27   40   55   60   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     K    24_A     K    24_A     21   58   87      6   16   38   52   60   63   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     G    25_A     G    25_A     21   58   87      6   13   26   45   60   63   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     F    26_A     F    26_A     21   58   87      6   17   40   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     G    27_A     G    27_A     21   58   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     F    28_A     F    28_A     21   58   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     I    29_A     I    29_A     21   58   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     T    30_A     T    30_A     21   58   87     16   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     P    31_A     P    31_A     21   58   87     14   31   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     D    32_A     D    32_A     21   58   87     14   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     D    33_A     D    33_A     15   58   87      4   15   26   50   60   63   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     G    34_A     G    34_A      9   58   87      3    6    9   12   17   36   54   65   71   74   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     G    35_A     G    35_A     12   58   87     11   27   45   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     D    36_A     D    36_A     12   58   87     14   33   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     D    37_A     D    37_A     12   58   87     14   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     L    38_A     L    38_A     12   58   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     F    39_A     F    39_A     12   58   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     V    40_A     V    40_A     12   58   87     17   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     H    41_A     H    41_A     12   58   87      7   27   42   54   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     Q    42_A     Q    42_A     12   58   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     S    43_A     S    43_A     12   58   87      8   31   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     S    44_A     S    44_A     12   58   87      6   11   45   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     I    45_A     I    45_A     12   58   87     12   31   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     R    46_A     R    46_A     12   58   87      9   21   43   54   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     S    47_A     S    47_A      8   58   87      5   16   28   45   58   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     E    48_A     E    48_A      6   58   87      4    9   15   26   35   45   58   69   73   75   75   78   78   80   80   80   82   83   84   87 
LCS_GDT     G    49_A     G    49_A      6   58   87      7   13   24   40   56   64   67   70   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     F    50_A     F    50_A     18   58   87      7   18   37   51   60   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     R    51_A     R    51_A     18   58   87     10   21   44   54   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     S    52_A     S    52_A     18   58   87     10   28   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     L    53_A     L    53_A     18   58   87     13   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     A    54_A     A    54_A     18   58   87     13   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     A    55_A     A    55_A     18   58   87     10   26   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     E    56_A     E    56_A     18   58   87      7   26   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     E    57_A     E    57_A     18   58   87     14   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     A    58_A     A    58_A     18   58   87     14   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     V    59_A     V    59_A     18   58   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     E    60_A     E    60_A     18   58   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     F    61_A     F    61_A     18   58   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     E    62_A     E    62_A     18   58   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     V    63_A     V    63_A     18   58   87     12   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     E    64_A     E    64_A     18   58   87      7   33   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     I    65_A     I    65_A     18   58   87      7   28   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     D    66_A     D    66_A     18   58   87      7   23   45   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     N    67_A     N    67_A     18   58   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     N    68_A     N    68_A     17   58   87      4   13   44   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     N    69_A     N    69_A      3   47   87      3    3    3    7   10   16   23   49   69   72   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     R    70_A     R    70_A     12   47   87      7   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     P    71_A     P    71_A     12   47   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     K    72_A     K    72_A     12   47   87      8   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     A    73_A     A    73_A     12   47   87      7   28   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     I    74_A     I    74_A     12   47   87      7   27   42   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     D    75_A     D    75_A     12   47   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     V    76_A     V    76_A     12   47   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     S    77_A     S    77_A     12   47   87     19   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     G    78_A     G    78_A     12   47   87     10   35   46   55   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     P    79_A     P    79_A     12   47   87      3    3   42   54   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     D    80_A     D    80_A     12   47   87      5   13   42   54   61   64   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     G    81_A     G    81_A     12   47   87      5   18   42   54   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     A    82_A     A    82_A     11   47   87      5   18   42   54   61   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     P    83_A     P    83_A     10   36   87      4    8   19   47   60   65   68   71   73   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     V    84_A     V    84_A      5   36   87      3    6    9   12   19   27   51   67   72   75   76   78   78   80   80   80   82   83   84   87 
LCS_GDT     Q    85_A     Q    85_A      5   15   87      3    4    7   11   14   19   25   32   35   57   71   76   78   80   80   80   82   83   84   87 
LCS_GDT     G    86_A     G    86_A      5   15   87      3    4    8   12   18   23   28   37   57   67   71   76   78   80   80   80   82   83   84   87 
LCS_GDT     N    87_A     N    87_A      3    6   87      0    3    3    4    5    8   10   26   29   32   38   49   55   63   78   79   81   83   84   87 
LCS_GDT     S    88_A     S    88_A      3    6   87      1    3    4    5    5    7   10   11   15   17   29   34   37   48   55   66   71   81   84   87 
LCS_GDT     G    89_A     G    89_A      4    6   87      4    4    5    6    6    8   11   23   29   31   33   36   41   48   54   68   71   77   84   87 
LCS_GDT     G    90_A     G    90_A      4    6   87      4    4    5    6    7   11   20   25   29   31   34   39   43   51   56   68   71   77   81   84 
LCS_GDT     G    91_A     G    91_A      4    6   87      4    4    4    6    8   13   22   26   32   35   39   46   55   67   72   75   80   83   84   87 
LCS_GDT     S    92_A     S    92_A      4    5   87      4    4    5    6    8   13   22   26   32   37   45   62   70   75   78   80   82   83   84   87 
LCS_AVERAGE  LCS_A:  53.14  (  14.51   51.29   93.62 )

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     46     55     61     65     68     71     73     75     76     78     78     80     80     80     82     83     84     87 
GDT PERCENT_AT  20.65  38.04  50.00  59.78  66.30  70.65  73.91  77.17  79.35  81.52  82.61  84.78  84.78  86.96  86.96  86.96  89.13  90.22  91.30  94.57
GDT RMS_LOCAL    0.36   0.67   0.87   1.13   1.31   1.52   1.65   1.91   2.16   2.27   2.33   2.53   2.53   2.85   2.85   2.85   3.44   3.70   4.00   5.06
GDT RMS_ALL_AT   8.31   8.05   7.98   8.08   7.90   7.74   7.81   7.76   7.46   7.45   7.74   7.55   7.55   7.38   7.38   7.38   7.04   6.93   6.79   6.35

# Checking swapping
#   possible swapping detected:  D     6_A      D     6_A
#   possible swapping detected:  F    20_A      F    20_A
#   possible swapping detected:  F    28_A      F    28_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  D    36_A      D    36_A
#   possible swapping detected:  F    50_A      F    50_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  F    61_A      F    61_A
#   possible swapping detected:  E    64_A      E    64_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    29.949     0    0.044   0.044    31.871    0.000    0.000
LGA    H     2_A      H     2_A    23.288     0    0.161   1.255    25.879    0.000    0.000
LGA    M     3_A      M     3_A    23.387     0    0.619   1.284    28.554    0.000    0.000
LGA    S     4_A      S     4_A    19.648     0    0.405   0.704    21.548    0.000    0.000
LGA    G     5_A      G     5_A    18.432     0    0.544   0.544    18.499    0.000    0.000
LGA    D     6_A      D     6_A    12.730     0    0.220   1.125    14.187    0.000    0.357
LGA    N     7_A      N     7_A     6.907     0    0.598   1.402     9.197   15.595   14.524
LGA    G     8_A      G     8_A     5.667     0    0.396   0.396     7.227   19.762   19.762
LGA    G     9_A      G     9_A     5.871     0    0.546   0.546     5.871   27.619   27.619
LGA    G    10_A      G    10_A     4.524     0    0.101   0.101     5.197   34.524   34.524
LGA    E    11_A      E    11_A     2.321     0    0.063   0.848     3.765   64.881   61.746
LGA    R    12_A      R    12_A     1.345     0    0.044   1.156     4.388   79.286   74.329
LGA    R    13_A      R    13_A     0.692     0    0.026   1.284     3.869   92.857   78.355
LGA    K    14_A      K    14_A     0.412     0    0.030   1.079     3.971   95.238   85.556
LGA    G    15_A      G    15_A     0.222     0    0.035   0.035     0.254  100.000  100.000
LGA    S    16_A      S    16_A     0.101     0    0.049   0.580     2.219  100.000   94.127
LGA    V    17_A      V    17_A     0.247     0    0.051   0.108     0.517   97.619   98.639
LGA    K    18_A      K    18_A     0.485     0    0.034   1.090     2.964   95.238   83.175
LGA    W    19_A      W    19_A     0.937     0    0.068   0.602     2.422   90.476   81.020
LGA    F    20_A      F    20_A     1.277     0    0.114   0.225     1.680   79.286   80.649
LGA    D    21_A      D    21_A     0.623     0    0.036   0.236     2.329   88.214   85.000
LGA    T    22_A      T    22_A     2.214     0    0.156   0.137     3.664   67.024   61.905
LGA    Q    23_A      Q    23_A     2.525     0    0.046   1.233     4.636   55.833   55.926
LGA    K    24_A      K    24_A     3.471     0    0.118   0.638     5.467   46.905   43.810
LGA    G    25_A      G    25_A     3.430     0    0.073   0.073     3.430   50.000   50.000
LGA    F    26_A      F    26_A     2.156     0    0.036   0.085     3.196   73.095   61.688
LGA    G    27_A      G    27_A     0.252     0    0.097   0.097     0.945   97.619   97.619
LGA    F    28_A      F    28_A     0.227     0    0.017   0.071     0.688  100.000   96.537
LGA    I    29_A      I    29_A     0.337     0    0.028   0.058     0.980   97.619   94.048
LGA    T    30_A      T    30_A     0.643     0    0.049   0.061     0.882   92.857   91.837
LGA    P    31_A      P    31_A     1.241     0    0.137   0.380     1.585   79.286   80.272
LGA    D    32_A      D    32_A     1.032     0    0.078   1.208     5.376   77.143   64.345
LGA    D    33_A      D    33_A     4.000     0    0.140   0.966     6.480   34.405   29.702
LGA    G    34_A      G    34_A     6.298     0    0.658   0.658     6.298   26.548   26.548
LGA    G    35_A      G    35_A     2.066     0    0.248   0.248     3.670   61.429   61.429
LGA    D    36_A      D    36_A     1.462     0    0.077   0.733     3.351   79.286   70.238
LGA    D    37_A      D    37_A     0.924     0    0.052   0.600     2.797   88.214   82.917
LGA    L    38_A      L    38_A     0.554     0    0.027   0.789     2.630   95.238   85.357
LGA    F    39_A      F    39_A     0.446     0    0.051   0.467     1.909   95.238   89.048
LGA    V    40_A      V    40_A     0.759     0    0.018   0.123     1.272   85.952   87.891
LGA    H    41_A      H    41_A     2.072     0    0.127   0.319     5.774   77.381   50.190
LGA    Q    42_A      Q    42_A     0.848     0    0.075   0.993     2.889   90.595   82.857
LGA    S    43_A      S    43_A     0.770     0    0.096   0.652     2.538   84.167   79.206
LGA    S    44_A      S    44_A     1.345     0    0.068   0.712     3.519   81.548   73.730
LGA    I    45_A      I    45_A     0.849     0    0.135   1.115     2.831   79.643   76.548
LGA    R    46_A      R    46_A     2.090     0    0.529   0.845     6.496   58.690   56.190
LGA    S    47_A      S    47_A     3.542     0    0.153   0.727     4.549   42.262   44.841
LGA    E    48_A      E    48_A     6.824     0    0.635   1.336    11.560   13.214    6.349
LGA    G    49_A      G    49_A     4.892     0    0.277   0.277     4.897   40.833   40.833
LGA    F    50_A      F    50_A     3.484     0    0.099   0.245     6.256   43.571   30.476
LGA    R    51_A      R    51_A     2.150     0    0.053   1.166     3.218   66.905   65.671
LGA    S    52_A      S    52_A     1.525     0    0.061   0.138     2.488   77.143   73.016
LGA    L    53_A      L    53_A     0.897     0    0.033   0.822     2.685   85.952   84.048
LGA    A    54_A      A    54_A     0.860     0    0.067   0.080     0.916   90.476   90.476
LGA    A    55_A      A    55_A     1.607     0    0.318   0.290     2.075   81.548   78.190
LGA    E    56_A      E    56_A     1.879     0    0.037   0.693     5.642   72.857   51.852
LGA    E    57_A      E    57_A     0.948     0    0.067   0.893     4.528   83.690   71.164
LGA    A    58_A      A    58_A     1.104     0    0.053   0.094     1.424   83.690   83.238
LGA    V    59_A      V    59_A     0.730     0    0.028   0.133     0.846   90.476   90.476
LGA    E    60_A      E    60_A     0.902     0    0.033   0.416     2.057   88.214   83.598
LGA    F    61_A      F    61_A     1.022     0    0.040   0.125     1.022   88.214   89.654
LGA    E    62_A      E    62_A     1.082     0    0.036   0.802     2.897   81.429   73.228
LGA    V    63_A      V    63_A     1.277     0    0.131   0.729     1.944   81.429   78.980
LGA    E    64_A      E    64_A     1.501     0    0.119   0.651     2.169   79.286   75.767
LGA    I    65_A      I    65_A     1.477     0    0.060   1.071     3.398   77.143   68.393
LGA    D    66_A      D    66_A     1.669     0    0.062   0.837     3.348   77.143   71.131
LGA    N    67_A      N    67_A     2.058     0    0.058   1.050     6.177   66.905   53.631
LGA    N    68_A      N    68_A     2.048     0    0.496   1.317     4.708   67.024   57.440
LGA    N    69_A      N    69_A     5.763     0    0.590   0.670    12.231   33.333   17.262
LGA    R    70_A      R    70_A     1.149     0    0.649   1.791     8.127   71.190   38.874
LGA    P    71_A      P    71_A     0.866     0    0.030   0.092     1.261   85.952   87.891
LGA    K    72_A      K    72_A     1.094     0    0.041   1.077     2.444   83.690   79.630
LGA    A    73_A      A    73_A     1.471     0    0.081   0.117     2.600   73.214   73.143
LGA    I    74_A      I    74_A     1.999     0    0.102   0.903     3.212   75.000   67.083
LGA    D    75_A      D    75_A     1.279     0    0.134   0.476     1.712   77.143   80.476
LGA    V    76_A      V    76_A     1.182     0    0.028   0.050     1.374   81.429   81.429
LGA    S    77_A      S    77_A     1.164     0    0.069   0.270     1.164   81.429   84.524
LGA    G    78_A      G    78_A     1.208     0    0.079   0.079     1.757   79.286   79.286
LGA    P    79_A      P    79_A     2.666     0    0.672   0.633     5.296   51.548   59.660
LGA    D    80_A      D    80_A     3.113     0    0.081   0.567     4.035   50.119   48.452
LGA    G    81_A      G    81_A     2.703     0    0.065   0.065     2.915   57.143   57.143
LGA    A    82_A      A    82_A     2.271     0    0.175   0.244     2.271   68.810   68.000
LGA    P    83_A      P    83_A     3.170     0    0.053   0.366     4.847   46.905   41.973
LGA    V    84_A      V    84_A     5.074     0    0.014   1.162     6.208   25.952   26.803
LGA    Q    85_A      Q    85_A     9.063     0    0.088   1.156    14.639    2.262    1.005
LGA    G    86_A      G    86_A     9.738     0    0.685   0.685    12.443    0.476    0.476
LGA    N    87_A      N    87_A    14.826     0    0.542   1.101    16.551    0.000    0.000
LGA    S    88_A      S    88_A    19.965     0    0.120   0.147    22.742    0.000    0.000
LGA    G    89_A      G    89_A    20.340     0    0.320   0.320    20.340    0.000    0.000
LGA    G    90_A      G    90_A    19.351     0    0.489   0.489    20.490    0.000    0.000
LGA    G    91_A      G    91_A    18.054     0    0.659   0.659    18.110    0.000    0.000
LGA    S    92_A      S    92_A    15.707     0    0.244   0.265    17.711    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):     6.217          6.131                  6.027           60.659   56.791

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     71    1.91    65.489    65.053     3.524

LGA_LOCAL      RMSD:   1.915  Number of atoms:   71  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.761  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   6.217  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.973871 * X  +   0.194505 * Y  +  -0.117230 * Z  +  67.845398
  Y_new =   0.186782 * X  +   0.979632 * Y  +   0.073718 * Z  + -24.617691
  Z_new =   0.129181 * X  +   0.049895 * Y  +  -0.990365 * Z  +  20.882830 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.952101 -0.129543  3.091255   [DEG:  169.1429   -7.4223  177.1159 ]
ZXZ: -2.132143  3.002664  1.202208   [DEG: -122.1628  172.0400   68.8814 ]
 
# END of job
