
#######################################################
#                                                     #
#                        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:    91       1_A - 91_A        4.95     5.18
  LONGEST_CONTINUOUS_SEGMENT:    91       2_A - 92_A        4.94     5.19
  LCS_AVERAGE:     98.91

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    78       7_A - 84_A        1.98     5.74
  LCS_AVERAGE:     74.29

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      50_A - 78_A        0.95     5.84
  LONGEST_CONTINUOUS_SEGMENT:    29      51_A - 79_A        0.97     5.90
  LCS_AVERAGE:     21.30

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   91      3    5    5    5    6    6    7   11   12   15   20   22   27   76   76   77   82   84   85   86 
LCS_GDT     H     2_A     H     2_A      5    6   91      4    5    5    5    6    6    6   10   12   15   20   22   40   66   78   81   83   84   85   86 
LCS_GDT     M     3_A     M     3_A      5    6   91      4    5    5    5    6    6   22   29   39   62   76   80   83   83   84   84   84   84   85   86 
LCS_GDT     S     4_A     S     4_A      5    6   91      4    5    5    5    6    7   13   23   54   74   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     G     5_A     G     5_A      5    6   91      4    5    5   13   27   42   58   72   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     D     6_A     D     6_A      4   77   91      4    4    4   13   24   42   68   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     N     7_A     N     7_A      4   78   91      4    4    4    4    6   62   70   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     G     8_A     G     8_A      4   78   91      9   33   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     G     9_A     G     9_A      9   78   91      4    8   17   35   61   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     G    10_A     G    10_A     12   78   91      3   12   28   57   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     E    11_A     E    11_A     23   78   91      5   15   28   57   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     R    12_A     R    12_A     23   78   91      6   24   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     R    13_A     R    13_A     23   78   91     13   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     K    14_A     K    14_A     23   78   91     13   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     G    15_A     G    15_A     23   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     S    16_A     S    16_A     23   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     V    17_A     V    17_A     23   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     K    18_A     K    18_A     23   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     W    19_A     W    19_A     23   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     F    20_A     F    20_A     23   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     D    21_A     D    21_A     23   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     T    22_A     T    22_A     23   78   91      6   19   46   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     Q    23_A     Q    23_A     23   78   91      7   30   50   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     K    24_A     K    24_A     23   78   91      6    8   30   54   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     G    25_A     G    25_A     23   78   91      6   16   30   54   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     F    26_A     F    26_A     23   78   91      9   21   50   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     G    27_A     G    27_A     23   78   91     20   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     F    28_A     F    28_A     23   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     I    29_A     I    29_A     23   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     T    30_A     T    30_A     23   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     P    31_A     P    31_A     23   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     D    32_A     D    32_A     23   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     D    33_A     D    33_A     23   78   91     11   31   51   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     G    34_A     G    34_A     18   78   91      3    4    6   39   55   66   73   75   77   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     G    35_A     G    35_A     18   78   91     14   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     D    36_A     D    36_A     18   78   91     14   31   51   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     D    37_A     D    37_A     18   78   91     14   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     L    38_A     L    38_A     18   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     F    39_A     F    39_A     18   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     V    40_A     V    40_A     18   78   91     10   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     H    41_A     H    41_A     18   78   91      4   24   47   58   64   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     Q    42_A     Q    42_A     18   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     S    43_A     S    43_A     18   78   91     15   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     S    44_A     S    44_A     18   78   91      5   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     I    45_A     I    45_A     13   78   91     15   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     R    46_A     R    46_A     13   78   91     10   36   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     S    47_A     S    47_A     13   78   91      3   27   51   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     E    48_A     E    48_A      7   78   91      3    7    9   33   51   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     G    49_A     G    49_A     14   78   91      4   10   30   54   63   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     F    50_A     F    50_A     29   78   91      5   19   47   58   63   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     R    51_A     R    51_A     29   78   91     11   36   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     S    52_A     S    52_A     29   78   91     11   36   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     L    53_A     L    53_A     29   78   91     13   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     A    54_A     A    54_A     29   78   91     12   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     A    55_A     A    55_A     29   78   91     11   27   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     E    56_A     E    56_A     29   78   91      6   30   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     E    57_A     E    57_A     29   78   91     15   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     A    58_A     A    58_A     29   78   91     11   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     V    59_A     V    59_A     29   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     E    60_A     E    60_A     29   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     F    61_A     F    61_A     29   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     E    62_A     E    62_A     29   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     V    63_A     V    63_A     29   78   91     11   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     E    64_A     E    64_A     29   78   91     16   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     I    65_A     I    65_A     29   78   91      9   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     D    66_A     D    66_A     29   78   91      9   30   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     N    67_A     N    67_A     29   78   91      9   31   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     N    68_A     N    68_A     29   78   91      6   27   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     N    69_A     N    69_A     29   78   91      6   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     R    70_A     R    70_A     29   78   91      9   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     P    71_A     P    71_A     29   78   91     20   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     K    72_A     K    72_A     29   78   91     16   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     A    73_A     A    73_A     29   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     I    74_A     I    74_A     29   78   91     11   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     D    75_A     D    75_A     29   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     V    76_A     V    76_A     29   78   91     21   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     S    77_A     S    77_A     29   78   91     11   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     G    78_A     G    78_A     29   78   91     11   37   52   60   65   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     P    79_A     P    79_A     29   78   91      3   11   39   56   62   68   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     D    80_A     D    80_A     25   78   91      4   18   42   56   61   68   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     G    81_A     G    81_A     10   78   91      4    8   26   56   61   68   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     A    82_A     A    82_A      9   78   91      4   14   49   59   64   71   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     P    83_A     P    83_A      8   78   91      4    9   25   48   63   68   73   75   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     V    84_A     V    84_A      6   78   91      4    8   10   17   41   58   69   74   79   79   80   81   83   83   84   84   84   84   85   86 
LCS_GDT     Q    85_A     Q    85_A      6   48   91      4    5   10   11   18   27   28   34   48   68   77   81   83   83   84   84   84   84   85   86 
LCS_GDT     G    86_A     G    86_A      6   15   91      4    6   10   14   22   27   32   37   55   69   76   80   82   83   84   84   84   84   85   86 
LCS_GDT     N    87_A     N    87_A      3    6   91      3    3    4    6    7    8   16   26   30   32   39   44   51   62   69   78   80   84   85   86 
LCS_GDT     S    88_A     S    88_A      3    6   91      3    3    3    6    8   13   19   26   30   32   37   42   51   55   69   74   80   83   85   86 
LCS_GDT     G    89_A     G    89_A      3    6   91      3    3    3    6    7    9   19   26   30   32   37   42   47   52   58   69   72   78   82   83 
LCS_GDT     G    90_A     G    90_A      3    6   91      3    3    3    5    6    8    9   16   22   30   32   37   40   49   54   64   70   75   80   83 
LCS_GDT     G    91_A     G    91_A      3    6   91      3    3    3    5   13   20   26   31   36   41   49   54   67   72   76   80   83   84   85   86 
LCS_GDT     S    92_A     S    92_A      3    4   91      3    3    3    3    4    5    9    9   11   20   27   29   45   54   58   66   77   83   85   86 
LCS_AVERAGE  LCS_A:  64.84  (  21.30   74.29   98.91 )

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     21     37     52     60     65     71     73     75     79     79     80     81     83     83     84     84     84     84     85     86 
GDT PERCENT_AT  22.83  40.22  56.52  65.22  70.65  77.17  79.35  81.52  85.87  85.87  86.96  88.04  90.22  90.22  91.30  91.30  91.30  91.30  92.39  93.48
GDT RMS_LOCAL    0.33   0.58   0.87   1.08   1.34   1.65   1.65   1.79   2.15   2.07   2.20   2.35   2.68   2.66   2.82   2.82   2.82   2.82   3.11   3.39
GDT RMS_ALL_AT   6.32   6.27   5.89   5.93   6.00   5.78   5.83   5.77   5.66   5.71   5.66   5.63   5.55   5.52   5.50   5.50   5.50   5.50   5.51   5.57

# 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    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:  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    14.385     0    0.274   0.274    14.515    0.000    0.000
LGA    H     2_A      H     2_A    13.030     0    0.048   1.238    16.424    0.357    0.143
LGA    M     3_A      M     3_A     9.586     0    0.160   1.078    11.433    0.238    0.119
LGA    S     4_A      S     4_A     8.161     0    0.223   0.221     9.395   12.262    9.603
LGA    G     5_A      G     5_A     7.565     0    0.570   0.570     9.481    5.714    5.714
LGA    D     6_A      D     6_A     5.875     0    0.367   1.069     7.560   33.214   23.452
LGA    N     7_A      N     7_A     4.992     0    0.488   1.279    10.237   47.619   25.893
LGA    G     8_A      G     8_A     0.760     0    0.069   0.069     2.159   75.238   75.238
LGA    G     9_A      G     9_A     4.564     0    0.496   0.496     6.495   32.500   32.500
LGA    G    10_A      G    10_A     3.073     0    0.069   0.069     3.073   57.262   57.262
LGA    E    11_A      E    11_A     2.952     0    0.075   0.119     4.977   61.190   50.000
LGA    R    12_A      R    12_A     1.277     0    0.084   1.344     6.551   73.214   56.407
LGA    R    13_A      R    13_A     0.627     0    0.075   1.330     3.972   92.857   81.515
LGA    K    14_A      K    14_A     0.617     0    0.053   0.791     2.236   92.857   85.820
LGA    G    15_A      G    15_A     0.124     0    0.072   0.072     0.582   97.619   97.619
LGA    S    16_A      S    16_A     0.136     0    0.023   0.672     2.220  100.000   94.127
LGA    V    17_A      V    17_A     0.301     0    0.119   0.187     1.112   92.976   93.265
LGA    K    18_A      K    18_A     0.711     0    0.024   0.845     2.957   92.857   82.011
LGA    W    19_A      W    19_A     0.389     0    0.016   0.568     2.534   97.619   86.463
LGA    F    20_A      F    20_A     0.424     0    0.074   0.108     1.043  100.000   93.983
LGA    D    21_A      D    21_A     0.391     0    0.066   0.336     2.293   92.976   86.250
LGA    T    22_A      T    22_A     2.099     0    0.058   1.218     4.175   67.024   59.048
LGA    Q    23_A      Q    23_A     2.639     0    0.046   1.373     4.283   53.810   56.878
LGA    K    24_A      K    24_A     3.360     0    0.095   0.833     3.813   50.119   52.487
LGA    G    25_A      G    25_A     3.354     0    0.076   0.076     3.354   51.786   51.786
LGA    F    26_A      F    26_A     1.899     0    0.016   0.139     2.446   75.119   70.000
LGA    G    27_A      G    27_A     0.350     0    0.075   0.075     0.792   97.619   97.619
LGA    F    28_A      F    28_A     0.468     0    0.036   0.110     1.439  100.000   89.827
LGA    I    29_A      I    29_A     0.317     0    0.011   0.071     0.613   97.619   97.619
LGA    T    30_A      T    30_A     0.384     0    0.055   0.120     0.671  100.000   98.639
LGA    P    31_A      P    31_A     0.672     0    0.054   0.338     0.970   90.476   91.837
LGA    D    32_A      D    32_A     0.459     0    0.033   0.820     2.684   90.595   82.024
LGA    D    33_A      D    33_A     2.011     0    0.101   0.903     4.014   58.333   56.964
LGA    G    34_A      G    34_A     4.353     0    0.116   0.116     4.353   58.333   58.333
LGA    G    35_A      G    35_A     1.608     0    0.393   0.393     3.147   67.143   67.143
LGA    D    36_A      D    36_A     2.016     0    0.035   0.247     2.724   70.833   66.845
LGA    D    37_A      D    37_A     1.512     0    0.060   0.471     3.055   77.143   75.417
LGA    L    38_A      L    38_A     1.055     0    0.055   1.275     3.007   85.952   78.690
LGA    F    39_A      F    39_A     0.989     0    0.037   0.398     2.190   83.690   80.000
LGA    V    40_A      V    40_A     1.056     0    0.012   0.111     1.620   79.405   82.857
LGA    H    41_A      H    41_A     2.365     0    0.144   0.300     5.932   72.976   47.952
LGA    Q    42_A      Q    42_A     1.356     0    0.082   0.865     4.249   83.810   73.862
LGA    S    43_A      S    43_A     0.618     0    0.120   0.602     3.058   90.476   83.730
LGA    S    44_A      S    44_A     0.864     0    0.092   0.111     1.314   88.214   87.460
LGA    I    45_A      I    45_A     0.366     0    0.121   0.700     1.542   92.976   88.393
LGA    R    46_A      R    46_A     1.052     0    0.443   0.757     7.177   77.619   51.169
LGA    S    47_A      S    47_A     1.582     0    0.061   0.652     2.382   73.214   73.095
LGA    E    48_A      E    48_A     4.183     0    0.045   1.064     9.934   41.905   24.127
LGA    G    49_A      G    49_A     3.413     0    0.137   0.137     3.413   57.500   57.500
LGA    F    50_A      F    50_A     2.875     0    0.055   0.953     6.040   53.571   44.719
LGA    R    51_A      R    51_A     1.381     0    0.179   0.796     1.872   77.143   81.558
LGA    S    52_A      S    52_A     1.181     0    0.011   0.038     1.386   85.952   84.444
LGA    L    53_A      L    53_A     0.668     0    0.065   0.222     1.044   88.214   89.345
LGA    A    54_A      A    54_A     0.853     0    0.053   0.096     0.853   92.857   92.381
LGA    A    55_A      A    55_A     1.679     0    0.623   0.606     3.878   67.619   68.667
LGA    E    56_A      E    56_A     1.820     0    0.031   0.275     3.334   75.000   63.545
LGA    E    57_A      E    57_A     0.922     0    0.084   0.928     4.215   85.952   74.339
LGA    A    58_A      A    58_A     1.080     0    0.097   0.120     1.336   88.214   86.857
LGA    V    59_A      V    59_A     0.669     0    0.025   0.118     0.757   90.476   91.837
LGA    E    60_A      E    60_A     0.933     0    0.015   0.539     1.346   85.952   86.455
LGA    F    61_A      F    61_A     1.270     0    0.087   0.127     1.460   81.429   84.719
LGA    E    62_A      E    62_A     1.209     0    0.038   0.813     3.181   81.429   72.434
LGA    V    63_A      V    63_A     1.370     0    0.026   1.239     3.221   81.429   74.490
LGA    E    64_A      E    64_A     1.276     0    0.023   0.319     1.943   81.429   81.481
LGA    I    65_A      I    65_A     1.347     0    0.027   0.600     1.533   81.429   80.357
LGA    D    66_A      D    66_A     1.230     0    0.033   0.192     1.827   81.429   80.357
LGA    N    67_A      N    67_A     1.191     0    0.069   1.029     4.020   81.429   70.060
LGA    N    68_A      N    68_A     1.424     0    0.097   1.403     5.136   81.429   67.381
LGA    N    69_A      N    69_A     1.240     0    0.109   0.784     2.474   81.429   78.274
LGA    R    70_A      R    70_A     1.063     0    0.037   1.077     6.654   81.429   63.593
LGA    P    71_A      P    71_A     0.999     0    0.022   0.083     1.384   85.952   84.014
LGA    K    72_A      K    72_A     0.956     0    0.027   0.200     1.516   88.214   85.503
LGA    A    73_A      A    73_A     0.957     0    0.036   0.041     1.458   85.952   86.857
LGA    I    74_A      I    74_A     1.790     0    0.013   0.602     2.365   75.000   71.905
LGA    D    75_A      D    75_A     1.702     0    0.052   0.280     2.126   75.000   71.905
LGA    V    76_A      V    76_A     1.365     0    0.038   0.041     1.632   79.286   80.204
LGA    S    77_A      S    77_A     1.477     0    0.070   0.100     1.503   81.429   80.000
LGA    G    78_A      G    78_A     1.545     0    0.034   0.034     2.035   70.833   70.833
LGA    P    79_A      P    79_A     2.827     0    0.672   0.656     5.343   47.857   55.170
LGA    D    80_A      D    80_A     3.427     0    0.147   0.132     4.699   46.786   45.238
LGA    G    81_A      G    81_A     3.237     0    0.041   0.041     3.367   51.786   51.786
LGA    A    82_A      A    82_A     2.148     0    0.100   0.143     2.190   66.786   68.000
LGA    P    83_A      P    83_A     3.373     0    0.021   0.042     5.603   45.119   37.891
LGA    V    84_A      V    84_A     4.791     0    0.096   0.106     6.323   27.262   31.565
LGA    Q    85_A      Q    85_A     8.767     0    0.049   1.018    12.207    3.571    1.799
LGA    G    86_A      G    86_A     9.388     0    0.663   0.663    11.819    1.071    1.071
LGA    N    87_A      N    87_A    14.381     0    0.506   1.016    16.265    0.000    0.000
LGA    S    88_A      S    88_A    15.907     0    0.488   0.442    17.524    0.000    0.000
LGA    G    89_A      G    89_A    19.233     0    0.505   0.505    19.476    0.000    0.000
LGA    G    90_A      G    90_A    21.091     0    0.538   0.538    21.091    0.000    0.000
LGA    G    91_A      G    91_A    17.307     0    0.457   0.457    18.251    0.000    0.000
LGA    S    92_A      S    92_A    19.786     0    0.171   0.625    23.376    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):     5.168          5.114                  5.038           65.537   61.736

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     75    1.79    69.565    74.327     3.976

LGA_LOCAL      RMSD:   1.786  Number of atoms:   75  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.771  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   5.168  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.383341 * X  +   0.133702 * Y  +   0.913878 * Z  +   2.156499
  Y_new =   0.202361 * X  +  -0.953267 * Y  +   0.224348 * Z  +  -3.140986
  Z_new =   0.901166 * X  +   0.270935 * Y  +   0.338370 * Z  +   1.730126 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.655884 -1.122451  0.675171   [DEG:  152.1710  -64.3117   38.6845 ]
ZXZ:  1.811526  1.225612  1.278744   [DEG:  103.7928   70.2224   73.2666 ]
 
# END of job
