
#######################################################
#                                                     #
#                        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   96 (  808),  selected   88 , name one
# Molecule2: number of CA atoms   93 (  756),  selected   88 , 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:    88      29_A - 116_A       2.33     2.33
  LCS_AVERAGE:     94.62

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    84      29_A - 112_A       1.94     2.38
  LCS_AVERAGE:     88.07

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    36      71_A - 106_A       0.98     2.53
  LONGEST_CONTINUOUS_SEGMENT:    36      72_A - 107_A       0.96     2.51
  LCS_AVERAGE:     33.57

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   88
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     N    29_A     N    29_A     33   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    30_A     I    30_A     33   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    31_A     D    31_A     33   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     E    32_A     E    32_A     33   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    33_A     I    33_A     33   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    34_A     I    34_A     33   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     E    35_A     E    35_A     33   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     N    36_A     N    36_A     33   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     R    37_A     R    37_A     33   84   88     20   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    38_A     K    38_A     33   84   88     18   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    39_A     L    39_A     33   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    40_A     L    40_A     33   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    41_A     V    41_A     33   84   88     20   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     P    42_A     P    42_A     33   84   88     20   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     Y    43_A     Y    43_A     33   84   88     20   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    44_A     I    44_A     33   84   88     20   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    45_A     K    45_A     33   84   88     20   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     C    46_A     C    46_A     33   84   88     19   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    47_A     T    47_A     33   84   88     19   40   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    48_A     L    48_A     33   84   88     20   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    49_A     D    49_A     33   84   88     20   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    50_A     Q    50_A     33   84   88     20   34   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    51_A     G    51_A     33   84   88     20   34   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     R    52_A     R    52_A     33   84   88     20   39   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     C    53_A     C    53_A     33   84   88     20   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    54_A     T    54_A     33   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     P    55_A     P    55_A     33   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     E    56_A     E    56_A     33   84   88     13   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    57_A     G    57_A     33   84   88     12   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     R    58_A     R    58_A     33   84   88     12   31   58   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     E    59_A     E    59_A     33   84   88      9   24   44   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     L    60_A     L    60_A     33   84   88      9   16   23   44   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    61_A     K    61_A     33   84   88      9   16   27   49   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    62_A     A    62_A     27   84   88      8   14   23   35   54   73   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     H    63_A     H    63_A     23   84   88      8   14   23   26   43   60   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    64_A     I    64_A     23   84   88      7   14   23   33   51   73   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    65_A     K    65_A     20   84   88      7    8   20   31   64   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     D    66_A     D    66_A     18   84   88      7    8   22   33   54   73   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    67_A     A    67_A     16   84   88      7   10   22   30   48   73   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     M    68_A     M    68_A     17   84   88      7   16   21   35   66   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    69_A     Q    69_A     17   84   88      7   18   21   38   68   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    70_A     T    70_A     18   84   88      8   18   26   62   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    71_A     S    71_A     36   84   88      6   24   56   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     C    72_A     C    72_A     36   84   88      8   18   56   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     S    73_A     S    73_A     36   84   88      8   18   55   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    74_A     K    74_A     36   84   88      8   30   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     C    75_A     C    75_A     36   84   88      7   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     T    76_A     T    76_A     36   84   88     18   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     E    77_A     E    77_A     36   84   88     17   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    78_A     K    78_A     36   84   88     20   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    79_A     Q    79_A     36   84   88      8   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    80_A     K    80_A     36   84   88     16   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    81_A     K    81_A     36   84   88     16   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     G    82_A     G    82_A     36   84   88     13   29   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    83_A     A    83_A     36   84   88     13   26   59   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     R    84_A     R    84_A     36   84   88     13   34   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    85_A     K    85_A     36   84   88     16   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    86_A     V    86_A     36   84   88     16   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     V    87_A     V    87_A     36   84   88     13   34   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     R    88_A     R    88_A     36   84   88     13   41   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     H    89_A     H    89_A     36   84   88     19   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     I    90_A     I    90_A     36   84   88     16   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     R    91_A     R    91_A     36   84   88     13   43   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     A    92_A     A    92_A     36   84   88     13   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    93_A     K    93_A     36   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     E    94_A     E    94_A     36   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q    95_A     Q    95_A     36   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     E    96_A     E    96_A     36   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     Y    97_A     Y    97_A     36   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     W    98_A     W    98_A     36   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     K    99_A     K    99_A     36   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q   100_A     Q   100_A     36   84   88     21   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     I   101_A     I   101_A     36   84   88     17   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     L   102_A     L   102_A     36   84   88      9   31   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     A   103_A     A   103_A     36   84   88     21   40   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     K   104_A     K   104_A     36   84   88     17   45   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     Y   105_A     Y   105_A     36   84   88      9   40   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     D   106_A     D   106_A     36   84   88      9   25   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     P   107_A     P   107_A     36   84   88     10   30   60   68   71   75   79   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     E   108_A     E   108_A     35   84   88      8   19   39   55   69   73   78   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     D   109_A     D   109_A     28   84   88      4   25   42   66   71   75   78   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     Q   110_A     Q   110_A     27   84   88      4   14   31   53   68   71   78   80   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     Y   111_A     Y   111_A     20   84   88      5   10   18   40   56   71   75   79   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     K   112_A     K   112_A      9   84   88      5    7   11   39   50   69   75   79   83   84   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     E   113_A     E   113_A      7   46   88      5    7    8   15   24   30   69   72   78   81   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     N   114_A     N   114_A      7   44   88      5    7    8   15   26   37   61   66   78   81   86   88   88   88   88   88   88   88   88   88 
LCS_GDT     Y   115_A     Y   115_A      7   42   88      5    7   14   25   42   56   70   76   79   83   87   88   88   88   88   88   88   88   88   88 
LCS_GDT     E   116_A     E   116_A      7   20   88      3    7   13   22   31   48   69   73   78   83   87   88   88   88   88   88   88   88   88   88 
LCS_AVERAGE  LCS_A:  72.09  (  33.57   88.07   94.62 )

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     21     45     60     68     71     75     79     80     83     84     87     88     88     88     88     88     88     88     88     88 
GDT PERCENT_AT  22.58  48.39  64.52  73.12  76.34  80.65  84.95  86.02  89.25  90.32  93.55  94.62  94.62  94.62  94.62  94.62  94.62  94.62  94.62  94.62
GDT RMS_LOCAL    0.33   0.70   0.88   1.07   1.20   1.43   1.77   1.73   1.88   1.94   2.23   2.33   2.33   2.33   2.33   2.33   2.33   2.33   2.33   2.33
GDT RMS_ALL_AT   2.53   2.36   2.36   2.36   2.36   2.38   2.44   2.42   2.37   2.38   2.33   2.33   2.33   2.33   2.33   2.33   2.33   2.33   2.33   2.33

# Checking swapping
#   possible swapping detected:  E    35_A      E    35_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  E    59_A      E    59_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  E    77_A      E    77_A
#   possible swapping detected:  E    94_A      E    94_A
#   possible swapping detected:  Y    97_A      Y    97_A
#   possible swapping detected:  E   108_A      E   108_A
#   possible swapping detected:  E   113_A      E   113_A
#   possible swapping detected:  Y   115_A      Y   115_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    N    29_A      N    29_A     1.196     0    0.040   0.090     1.769   85.952   80.476
LGA    I    30_A      I    30_A     1.131     0    0.044   0.199     1.351   81.429   81.429
LGA    D    31_A      D    31_A     1.277     0    0.059   0.330     2.046   83.690   77.262
LGA    E    32_A      E    32_A     0.806     0    0.063   0.209     0.935   90.476   90.476
LGA    I    33_A      I    33_A     0.615     0    0.016   1.119     2.805   90.476   79.881
LGA    I    34_A      I    34_A     0.806     0    0.105   1.229     3.739   88.214   81.190
LGA    E    35_A      E    35_A     1.028     0    0.104   0.578     3.217   88.214   77.249
LGA    N    36_A      N    36_A     0.745     0    0.102   1.423     3.860   92.857   79.405
LGA    R    37_A      R    37_A     1.147     0    0.079   0.745     2.167   85.952   77.706
LGA    K    38_A      K    38_A     0.995     0    0.083   0.922     4.209   88.214   69.206
LGA    L    39_A      L    39_A     0.352     0    0.042   0.125     0.621   97.619   96.429
LGA    L    40_A      L    40_A     0.616     0    0.021   1.395     4.075   90.476   76.429
LGA    V    41_A      V    41_A     0.752     0    0.053   1.095     2.878   90.476   83.197
LGA    P    42_A      P    42_A     0.505     0    0.032   0.188     0.845   95.238   93.197
LGA    Y    43_A      Y    43_A     0.249     0    0.046   0.298     1.735   95.238   88.413
LGA    I    44_A      I    44_A     0.892     0    0.032   1.300     3.780   88.214   74.345
LGA    K    45_A      K    45_A     1.106     0    0.073   0.116     2.506   88.214   77.989
LGA    C    46_A      C    46_A     0.847     0    0.020   0.070     1.025   88.214   88.968
LGA    T    47_A      T    47_A     1.034     0    0.127   1.019     3.172   81.548   75.782
LGA    L    48_A      L    48_A     1.269     0    0.160   1.145     4.305   83.690   74.881
LGA    D    49_A      D    49_A     0.946     0    0.052   0.247     1.364   83.690   84.821
LGA    Q    50_A      Q    50_A     1.367     0    0.081   0.952     4.300   79.286   68.254
LGA    G    51_A      G    51_A     1.199     0    0.034   0.034     1.199   81.429   81.429
LGA    R    52_A      R    52_A     1.066     0    0.040   1.285     8.476   88.333   57.186
LGA    C    53_A      C    53_A     0.655     0    0.110   0.151     1.108   88.214   88.968
LGA    T    54_A      T    54_A     0.779     0    0.082   1.091     2.757   92.857   83.265
LGA    P    55_A      P    55_A     0.619     0    0.043   0.116     0.899   95.238   93.197
LGA    E    56_A      E    56_A     0.957     0    0.033   0.471     3.253   88.214   75.344
LGA    G    57_A      G    57_A     0.744     0    0.037   0.037     1.296   88.214   88.214
LGA    R    58_A      R    58_A     1.259     0    0.095   1.552     9.250   79.405   54.199
LGA    E    59_A      E    59_A     1.876     0    0.050   0.676     3.133   67.262   74.233
LGA    L    60_A      L    60_A     2.852     0    0.035   0.104     4.095   53.810   49.524
LGA    K    61_A      K    61_A     2.706     0    0.033   1.576     6.495   51.905   51.587
LGA    A    62_A      A    62_A     4.004     0    0.027   0.047     5.077   36.190   36.381
LGA    H    63_A      H    63_A     4.918     0    0.096   0.301     6.070   31.548   26.000
LGA    I    64_A      I    64_A     4.106     0    0.029   0.151     4.543   40.238   38.750
LGA    K    65_A      K    65_A     3.505     0    0.023   0.804     3.854   45.000   46.296
LGA    D    66_A      D    66_A     4.253     0    0.035   0.117     4.789   37.143   34.286
LGA    A    67_A      A    67_A     4.495     0    0.067   0.064     4.608   35.714   34.857
LGA    M    68_A      M    68_A     3.483     0    0.070   1.182     7.453   46.667   36.429
LGA    Q    69_A      Q    69_A     3.349     0    0.063   1.177     6.921   53.571   38.889
LGA    T    70_A      T    70_A     2.377     0    0.235   0.986     4.237   66.905   59.932
LGA    S    71_A      S    71_A     1.498     0    0.031   0.188     2.281   79.286   77.222
LGA    C    72_A      C    72_A     1.588     0    0.033   0.462     1.628   72.857   74.286
LGA    S    73_A      S    73_A     1.718     0    0.064   0.710     3.063   72.857   67.698
LGA    K    74_A      K    74_A     1.326     0    0.172   0.713     3.985   77.143   69.153
LGA    C    75_A      C    75_A     1.082     0    0.038   0.262     1.372   88.214   87.460
LGA    T    76_A      T    76_A     0.990     0    0.068   1.038     3.156   85.952   79.524
LGA    E    77_A      E    77_A     0.930     0    0.061   1.099     5.410   85.952   67.143
LGA    K    78_A      K    78_A     1.561     4    0.048   0.068     1.753   75.000   41.429
LGA    Q    79_A      Q    79_A     1.458     0    0.097   0.292     1.926   77.143   75.714
LGA    K    80_A      K    80_A     1.383     0    0.027   0.798     1.512   81.429   80.476
LGA    K    81_A      K    81_A     1.327     4    0.040   0.047     1.488   81.429   45.238
LGA    G    82_A      G    82_A     1.457     0    0.036   0.036     1.660   77.143   77.143
LGA    A    83_A      A    83_A     1.965     0    0.064   0.063     2.483   72.857   71.238
LGA    R    84_A      R    84_A     1.927     0    0.038   1.598     9.602   72.857   46.883
LGA    K    85_A      K    85_A     1.213     0    0.034   1.021     4.499   81.429   74.286
LGA    V    86_A      V    86_A     1.353     0    0.041   1.230     3.402   81.429   73.469
LGA    V    87_A      V    87_A     1.902     0    0.035   1.224     4.703   72.857   67.007
LGA    R    88_A      R    88_A     1.879     0    0.039   0.994     5.895   72.857   46.364
LGA    H    89_A      H    89_A     1.102     0    0.022   1.140     2.820   81.429   80.000
LGA    I    90_A      I    90_A     1.244     0    0.024   0.138     1.592   81.429   79.286
LGA    R    91_A      R    91_A     1.865     0    0.056   1.577     7.532   70.833   48.831
LGA    A    92_A      A    92_A     1.776     0    0.078   0.076     1.986   75.000   74.571
LGA    K    93_A      K    93_A     1.270     0    0.143   0.871     4.145   79.286   62.169
LGA    E    94_A      E    94_A     0.739     0    0.218   0.382     1.129   85.952   90.582
LGA    Q    95_A      Q    95_A     1.005     4    0.024   0.045     1.068   85.952   48.254
LGA    E    96_A      E    96_A     0.739     0    0.070   1.447     6.082   90.476   63.810
LGA    Y    97_A      Y    97_A     0.768     0    0.063   0.516     2.755   90.476   77.659
LGA    W    98_A      W    98_A     0.623     0    0.054   0.186     1.261   90.476   89.898
LGA    K    99_A      K    99_A     0.723     0    0.066   0.708     2.054   90.476   85.661
LGA    Q   100_A      Q   100_A     0.711     0    0.043   0.618     1.664   90.476   83.598
LGA    I   101_A      I   101_A     0.582     0    0.032   0.631     2.680   90.476   85.179
LGA    L   102_A      L   102_A     1.202     0    0.031   1.090     3.958   83.690   70.893
LGA    A   103_A      A   103_A     1.349     0    0.036   0.039     1.485   81.429   81.429
LGA    K   104_A      K   104_A     0.718     0    0.028   0.509     3.470   92.857   83.122
LGA    Y   105_A      Y   105_A     0.822     0    0.103   0.322     1.294   90.476   87.460
LGA    D   106_A      D   106_A     1.696     0    0.192   0.231     2.973   75.000   68.036
LGA    P   107_A      P   107_A     1.637     0    0.073   0.127     2.102   70.952   72.993
LGA    E   108_A      E   108_A     3.099     0    0.182   0.905     5.024   55.357   49.101
LGA    D   109_A      D   109_A     2.385     0    0.118   0.749     3.681   53.810   61.369
LGA    Q   110_A      Q   110_A     3.935     0    0.244   1.212     6.868   39.167   30.899
LGA    Y   111_A      Y   111_A     4.531     0    0.219   0.538    10.123   35.833   20.040
LGA    K   112_A      K   112_A     4.587     0    0.027   0.833     7.234   29.048   24.709
LGA    E   113_A      E   113_A     7.257     0    0.035   0.733    10.884   10.476    5.503
LGA    N   114_A      N   114_A     7.490     0    0.030   0.278     8.478   10.119    8.690
LGA    Y   115_A      Y   115_A     5.970     0    0.114   1.170     9.086   18.214   21.905
LGA    E   116_A      E   116_A     6.996     0    0.071   1.173     8.128   10.595   11.799

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       88     352    352  100.00     720    720  100.00                93
SUMMARY(RMSD_GDC):     2.328          2.362                  3.039           69.610   62.528

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   96   93    4.0     80    1.73    75.538    82.026     4.370

LGA_LOCAL      RMSD:   1.731  Number of atoms:   80  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.417  Number of assigned atoms:   88 
Std_ASGN_ATOMS RMSD:   2.328  Standard rmsd on all 88 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.998331 * X  +  -0.053071 * Y  +   0.022764 * Z  +  14.261767
  Y_new =  -0.056964 * X  +  -0.969757 * Y  +   0.237331 * Z  +  26.187511
  Z_new =   0.009480 * X  +  -0.238232 * Y  +  -0.971162 * Z  +  16.806910 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.056997 -0.009480 -2.901037   [DEG:   -3.2657   -0.5432 -166.2172 ]
ZXZ:  3.045969  2.900854  3.101820   [DEG:  174.5212  166.2067  177.7212 ]
 
# END of job
