
#######################################################
#                                                     #
#                        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  124 ( 1034),  selected  104 , name one
# Molecule2: number of CA atoms  104 (  843),  selected  104 , 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:    93      17_A - 109_A       4.88     7.37
  LCS_AVERAGE:     83.37

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    46      17_A - 62_A        1.88     9.75
  LCS_AVERAGE:     36.16

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      17_A - 56_A        0.93    10.82
  LCS_AVERAGE:     27.23

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     K    17_A     K    17_A     40   46   93      7   30   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     E    18_A     E    18_A     40   46   93     12   30   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     E    19_A     E    19_A     40   46   93     10   30   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     M    20_A     M    20_A     40   46   93     14   30   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     N    21_A     N    21_A     40   46   93     13   30   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     K    22_A     K    22_A     40   46   93      9   31   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     V    23_A     V    23_A     40   46   93     10   30   39   42   42   46   50   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     H    24_A     H    24_A     40   46   93     10   30   39   42   42   46   50   55   59   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     N    25_A     N    25_A     40   46   93     10   30   39   42   42   46   50   55   56   63   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     I    26_A     I    26_A     40   46   93     10   30   39   42   42   46   50   55   57   63   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     K    27_A     K    27_A     40   46   93      7   30   39   42   42   46   50   55   56   62   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     C    28_A     C    28_A     40   46   93     10   30   39   42   42   46   50   55   56   62   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     H    29_A     H    29_A     40   46   93     10   30   39   42   42   46   50   55   56   59   65   72   79   83   87   90   94   95   95   95 
LCS_GDT     F    30_A     F    30_A     40   46   93      7   30   39   42   42   46   50   55   56   60   68   75   81   85   87   90   94   95   95   95 
LCS_GDT     D    31_A     D    31_A     40   46   93      6   17   39   42   42   46   50   55   56   59   64   69   77   81   85   90   94   95   95   95 
LCS_GDT     N    32_A     N    32_A     40   46   93      5   25   39   42   42   46   50   55   56   59   63   66   77   81   84   90   94   95   95   95 
LCS_GDT     C    33_A     C    33_A     40   46   93      3   30   39   42   42   46   50   55   56   62   68   75   81   85   87   90   94   95   95   95 
LCS_GDT     N    34_A     N    34_A     40   46   93      3    5   35   42   42   46   50   55   56   62   68   75   81   85   87   90   94   95   95   95 
LCS_GDT     R    35_A     R    35_A     40   46   93      7   30   39   42   42   46   50   55   56   62   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     K    36_A     K    36_A     40   46   93      7   30   39   42   42   46   50   55   56   62   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     I    37_A     I    37_A     40   46   93     12   30   39   42   42   46   50   55   59   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     H    38_A     H    38_A     40   46   93     10   30   39   42   42   46   50   55   59   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     W    39_A     W    39_A     40   46   93     14   30   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     K    40_A     K    40_A     40   46   93     14   30   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     I    41_A     I    41_A     40   46   93     14   30   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     R    42_A     R    42_A     40   46   93     14   30   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     Y    43_A     Y    43_A     40   46   93     13   30   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     G    44_A     G    44_A     40   46   93     12   30   39   42   42   46   50   56   60   65   68   75   81   85   87   90   94   95   95   95 
LCS_GDT     K    45_A     K    45_A     40   46   93     14   30   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     L    46_A     L    46_A     40   46   93     14   29   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     R    47_A     R    47_A     40   46   93     14   30   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     L    48_A     L    48_A     40   46   93     14   30   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     V    49_A     V    49_A     40   46   93     14   30   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     D    50_A     D    50_A     40   46   93     14   31   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     H    51_A     H    51_A     40   46   93     14   30   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     A    52_A     A    52_A     40   46   93     14   29   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     L    53_A     L    53_A     40   46   93     13   29   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     S    54_A     S    54_A     40   46   93     13   29   39   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     H    55_A     H    55_A     40   46   93     14   29   39   42   42   46   50   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     Q    56_A     Q    56_A     40   46   93     14   29   39   42   42   46   50   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     E    57_A     E    57_A     25   46   93      5   22   35   41   42   46   50   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     E    58_A     E    58_A     24   46   93      3   13   30   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     K    59_A     K    59_A     32   46   93      3    5    5    6   14   40   52   56   60   65   69   74   81   85   87   90   94   95   95   95 
LCS_GDT     S    60_A     S    60_A     32   46   93      3   15   33   37   42   46   52   56   60   65   68   74   78   85   87   90   94   95   95   95 
LCS_GDT     I    61_A     I    61_A     32   46   93     12   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     D    62_A     D    62_A     32   46   93     17   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     C    63_A     C    63_A     32   40   93     17   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     Q    64_A     Q    64_A     32   40   93      8   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     K    65_A     K    65_A     32   40   93     17   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     C    66_A     C    66_A     32   40   93     17   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     E    67_A     E    67_A     32   40   93     17   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     Y    68_A     Y    68_A     32   40   93     17   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     S    69_A     S    69_A     32   40   93      9   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     C    70_A     C    70_A     32   40   93      4   11   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     Q    71_A     Q    71_A     32   40   93      8   30   35   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     T    72_A     T    72_A     32   40   93     17   31   35   42   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     T    73_A     T    73_A     32   40   93     17   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     R    74_A     R    74_A     32   40   93     17   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     Q    75_A     Q    75_A     32   40   93     17   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     M    76_A     M    76_A     32   40   93     17   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     R    77_A     R    77_A     32   40   93     17   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     Y    78_A     Y    78_A     32   40   93     17   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     H    79_A     H    79_A     32   40   93     11   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     Y    80_A     Y    80_A     32   40   93      7   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     K    81_A     K    81_A     32   40   93     11   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     K    82_A     K    82_A     32   40   93     17   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     I    83_A     I    83_A     32   40   93     17   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     H    84_A     H    84_A     32   40   93     17   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     A    85_A     A    85_A     32   40   93     17   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     N    86_A     N    86_A     32   40   93     10   31   35   37   42   46   52   56   60   65   69   74   81   85   87   90   94   95   95   95 
LCS_GDT     L    87_A     L    87_A     32   40   93     12   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     K    88_A     K    88_A     32   40   93      8   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     M    89_A     M    89_A     32   40   93      8   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     E    90_A     E    90_A     32   40   93      3   31   35   37   42   46   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     G    91_A     G    91_A      5   40   93      3    3    6    9   21   41   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     F    92_A     F    92_A      5   40   93      3    7   19   28   38   45   52   56   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     G    93_A     G    93_A      5   40   93      3    3    5    9   10   19   38   44   51   58   68   74   77   85   87   90   94   95   95   95 
LCS_GDT     I    94_A     I    94_A      5   40   93      3    4    5    9   34   39   45   50   57   63   68   74   78   85   87   90   94   95   95   95 
LCS_GDT     L    95_A     L    95_A      5   40   93      3    4    5   36   41   46   52   56   60   65   69   74   78   85   87   90   94   95   95   95 
LCS_GDT     N    96_A     N    96_A      5   40   93      3   31   35   37   41   46   52   56   60   65   69   74   81   85   87   90   94   95   95   95 
LCS_GDT     I    97_A     I    97_A      5   40   93      3    4    6    7    8   12   19   48   59   65   69   74   81   85   87   90   94   95   95   95 
LCS_GDT     P    98_A     P    98_A      5   16   93      4    5    6    8   12   15   45   55   60   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     L    99_A     L    99_A      5   17   93      4    5    6    9   15   15   31   43   54   63   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     Q   100_A     Q   100_A     14   18   93      4   12   14   14   15   16   20   26   52   63   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     N   101_A     N   101_A     14   18   93      6   13   14   14   15   26   39   46   57   65   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     T   102_A     T   102_A     14   18   93      6   13   14   14   15   18   27   38   54   62   68   75   80   84   87   90   94   95   95   95 
LCS_GDT     K   103_A     K   103_A     14   18   93     10   13   14   14   15   18   20   20   20   27   41   44   58   63   78   80   90   95   95   95 
LCS_GDT     F   104_A     F   104_A     14   18   93     10   13   14   14   15   18   20   30   49   51   68   75   81   85   87   90   94   95   95   95 
LCS_GDT     S   105_A     S   105_A     14   18   93     10   13   14   18   25   43   50   55   56   62   69   75   81   85   87   90   94   95   95   95 
LCS_GDT     D   106_A     D   106_A     14   18   93     10   13   14   14   15   18   20   20   20   25   49   57   68   73   79   89   94   95   95   95 
LCS_GDT     V   107_A     V   107_A     14   18   93     10   13   14   14   15   18   20   26   31   41   46   57   68   78   84   90   94   95   95   95 
LCS_GDT     W   108_A     W   108_A     14   18   93     10   13   14   18   37   46   50   55   56   62   68   75   81   85   87   90   94   95   95   95 
LCS_GDT     N   109_A     N   109_A     14   18   93     10   13   14   14   15   18   22   25   50   56   58   61   68   73   77   85   94   95   95   95 
LCS_GDT     K   110_A     K   110_A     14   18   76     10   13   14   14   15   18   20   20   25   31   37   44   50   58   61   66   72   76   87   95 
LCS_GDT     C   111_A     C   111_A     14   18   67     10   13   14   14   15   18   20   26   33   41   58   61   68   75   85   89   94   95   95   95 
LCS_GDT     F   112_A     F   112_A     14   18   25     10   13   14   14   15   18   20   41   47   53   54   61   63   68   80   89   94   95   95   95 
LCS_GDT     G   113_A     G   113_A     14   18   25     10   13   14   14   15   17   20   20   35   40   51   55   59   61   64   70   72   80   87   91 
LCS_GDT     D   114_A     D   114_A      5   18   25      3    4    7   10   14   18   20   20   20   21   22   24   45   48   54   56   58   59   67   69 
LCS_GDT     Q   115_A     Q   115_A      5   18   25      3    4    6   11   15   18   20   20   20   21   22   24   26   28   29   48   51   56   59   60 
LCS_GDT     L   116_A     L   116_A      5   18   25      3    4    8   11   15   18   20   20   20   21   22   32   37   43   54   55   58   66   72   77 
LCS_GDT     K   117_A     K   117_A      5   18   25      3    4    7   10   14   18   20   20   20   21   22   23   25   25   28   30   32   37   38   40 
LCS_GDT     T   118_A     T   118_A      5   18   25      3    3    8   10   14   18   20   20   20   21   22   23   25   25   27   30   32   35   36   38 
LCS_GDT     I   119_A     I   119_A      3   16   25      3    3    4    5    7   18   20   20   20   21   22   23   25   25   27   30   32   35   36   38 
LCS_GDT     G   120_A     G   120_A      3    4   25      3    3    3    5    5    6   10   13   14   21   22   23   25   25   27   30   32   35   36   38 
LCS_AVERAGE  LCS_A:  48.92  (  27.23   36.16   83.37 )

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     17     31     39     42     42     46     52     56     60     65     69     75     81     85     87     90     94     95     95     95 
GDT PERCENT_AT  16.35  29.81  37.50  40.38  40.38  44.23  50.00  53.85  57.69  62.50  66.35  72.12  77.88  81.73  83.65  86.54  90.38  91.35  91.35  91.35
GDT RMS_LOCAL    0.33   0.62   0.88   1.05   1.05   1.54   1.96   2.24   2.52   2.85   3.29   3.87   4.12   4.30   4.41   4.63   4.95   5.01   5.01   5.01
GDT RMS_ALL_AT  11.04  10.51  10.90  10.51  10.51   9.51  10.11  10.01   9.66   9.19   8.37   7.54   7.56   7.61   7.53   7.41   7.31   7.33   7.33   7.33

# Checking swapping
#   possible swapping detected:  F    30_A      F    30_A
#   possible swapping detected:  Y    43_A      Y    43_A
#   possible swapping detected:  Y    68_A      Y    68_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F   104_A      F   104_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A     5.321     4    0.067   0.074     6.326   35.238   17.566
LGA    E    18_A      E    18_A     1.011     4    0.084   0.098     2.646   79.881   46.614
LGA    E    19_A      E    19_A     3.435     4    0.180   0.189     5.409   55.357   27.513
LGA    M    20_A      M    20_A     2.996     0    0.012   0.305     5.904   65.000   46.369
LGA    N    21_A      N    21_A     2.008     0    0.021   0.900     3.756   63.571   57.679
LGA    K    22_A      K    22_A     3.713     0    0.032   0.766    10.572   48.810   30.000
LGA    V    23_A      V    23_A     6.017     0    0.013   0.024     7.561   15.476   13.197
LGA    H    24_A      H    24_A     7.186     0    0.162   0.216     7.745   12.857   15.190
LGA    N    25_A      N    25_A    10.092     0    0.032   0.976    13.688    0.119    0.060
LGA    I    26_A      I    26_A     9.300     0    0.034   0.660    10.118    0.833    5.833
LGA    K    27_A      K    27_A    12.377     0    0.040   0.248    18.748    0.000    0.000
LGA    C    28_A      C    28_A    12.132     0    0.139   0.648    15.168    0.000    0.000
LGA    H    29_A      H    29_A    15.839     0    0.079   0.176    17.940    0.000    0.000
LGA    F    30_A      F    30_A    15.016     0    0.334   1.215    16.490    0.000    0.000
LGA    D    31_A      D    31_A    18.861     0    0.367   0.561    20.494    0.000    0.000
LGA    N    32_A      N    32_A    19.745     0    0.192   0.264    22.500    0.000    0.000
LGA    C    33_A      C    33_A    15.829     0    0.188   0.714    17.003    0.000    0.000
LGA    N    34_A      N    34_A    15.564     0    0.111   0.153    18.073    0.000    0.000
LGA    R    35_A      R    35_A    13.638     0    0.027   0.687    15.107    0.000    0.000
LGA    K    36_A      K    36_A    11.932     0    0.075   0.806    19.646    0.000    0.000
LGA    I    37_A      I    37_A     8.306     0    0.057   0.611     9.418    4.524   10.000
LGA    H    38_A      H    38_A     8.304     0    0.209   1.065    14.362    9.048    3.667
LGA    W    39_A      W    39_A     3.697     0    0.091   0.306     5.441   39.167   56.054
LGA    K    40_A      K    40_A     1.304     0    0.011   0.102     6.291   81.548   57.937
LGA    I    41_A      I    41_A     2.277     0    0.050   0.122     4.559   62.143   52.143
LGA    R    42_A      R    42_A     4.325     0    0.114   0.812    11.888   33.929   17.056
LGA    Y    43_A      Y    43_A     4.146     0    0.036   0.137     6.442   37.262   34.048
LGA    G    44_A      G    44_A     4.672     0    0.121   0.121     4.672   45.833   45.833
LGA    K    45_A      K    45_A     3.122     0    0.035   0.603     5.615   53.810   40.317
LGA    L    46_A      L    46_A     2.462     0    0.010   0.104     5.286   73.452   57.083
LGA    R    47_A      R    47_A     1.254     0    0.029   1.485    11.202   79.524   45.281
LGA    L    48_A      L    48_A     2.532     0    0.050   0.098     3.768   59.762   54.107
LGA    V    49_A      V    49_A     2.789     0    0.033   0.088     4.079   60.952   53.469
LGA    D    50_A      D    50_A     0.740     0    0.057   0.124     2.125   79.643   82.857
LGA    H    51_A      H    51_A     3.750     0    0.038   0.180     8.167   42.262   25.476
LGA    A    52_A      A    52_A     4.985     0    0.013   0.023     5.364   32.976   31.619
LGA    L    53_A      L    53_A     2.654     0    0.056   0.949     3.907   50.119   54.048
LGA    S    54_A      S    54_A     4.862     0    0.042   0.043     6.813   27.381   25.476
LGA    H    55_A      H    55_A     7.538     0    0.031   0.185     9.615    8.571    5.143
LGA    Q    56_A      Q    56_A     6.436     0    0.040   1.081     6.436   18.214   21.587
LGA    E    57_A      E    57_A     7.072     4    0.724   0.662     8.423   15.833    7.566
LGA    E    58_A      E    58_A     2.059     4    0.593   0.601     3.524   61.667   32.963
LGA    K    59_A      K    59_A     3.228     0    0.184   0.502    10.660   50.833   27.302
LGA    S    60_A      S    60_A     3.020     0    0.679   0.587     5.761   65.238   51.429
LGA    I    61_A      I    61_A     0.752     0    0.672   0.699     2.703   77.738   79.583
LGA    D    62_A      D    62_A     1.255     0    0.272   0.323     1.745   77.143   78.214
LGA    C    63_A      C    63_A     0.361     0    0.108   0.188     1.521   88.452   89.127
LGA    Q    64_A      Q    64_A     1.489     0    0.124   1.138     5.933   77.262   60.106
LGA    K    65_A      K    65_A     0.392     0    0.144   0.298     2.206   92.976   86.825
LGA    C    66_A      C    66_A     0.436     0    0.046   0.647     2.188   95.238   89.365
LGA    E    67_A      E    67_A     0.977     4    0.049   0.045     1.687   83.810   47.302
LGA    Y    68_A      Y    68_A     1.215     0    0.027   1.161     9.143   81.429   48.413
LGA    S    69_A      S    69_A     1.306     0    0.153   0.545     1.935   83.690   81.508
LGA    C    70_A      C    70_A     1.935     0    0.106   0.684     2.944   72.857   70.238
LGA    Q    71_A      Q    71_A     1.678     0    0.049   0.263     3.064   75.000   71.323
LGA    T    72_A      T    72_A     0.983     0    0.042   0.107     1.196   88.214   89.184
LGA    T    73_A      T    73_A     0.708     0    0.112   1.134     2.513   90.476   81.905
LGA    R    74_A      R    74_A     0.496     0    0.028   1.419     7.069   97.619   70.346
LGA    Q    75_A      Q    75_A     0.767     0    0.032   0.391     2.138   92.857   84.656
LGA    M    76_A      M    76_A     0.410     0    0.013   0.087     0.744  100.000   97.619
LGA    R    77_A      R    77_A     0.540     0    0.044   1.189     7.990   92.857   60.736
LGA    Y    78_A      Y    78_A     0.985     0    0.015   1.252     9.887   88.214   48.968
LGA    H    79_A      H    79_A     0.836     0    0.035   0.108     1.531   90.476   85.095
LGA    Y    80_A      Y    80_A     0.741     0    0.069   0.781     3.345   92.857   81.429
LGA    K    81_A      K    81_A     1.599     0    0.038   1.072     4.918   75.000   57.989
LGA    K    82_A      K    82_A     1.482     0    0.045   0.886     6.625   81.429   57.302
LGA    I    83_A      I    83_A     0.962     0    0.041   0.080     1.215   88.214   88.214
LGA    H    84_A      H    84_A     0.897     0    0.055   0.175     1.310   85.952   92.476
LGA    A    85_A      A    85_A     1.566     0    0.651   0.610     3.415   69.286   70.000
LGA    N    86_A      N    86_A     1.913     3    0.086   0.084     2.023   70.833   44.524
LGA    L    87_A      L    87_A     1.333     0    0.107   1.076     3.354   77.143   74.405
LGA    K    88_A      K    88_A     1.922     0    0.050   0.623     5.547   72.857   61.058
LGA    M    89_A      M    89_A     1.925     0    0.014   0.823     5.477   72.857   60.179
LGA    E    90_A      E    90_A     1.567     0    0.344   1.091     6.216   68.929   54.180
LGA    G    91_A      G    91_A     3.691     0    0.288   0.288     5.465   46.429   46.429
LGA    F    92_A      F    92_A     3.189     0    0.170   0.131     7.017   45.476   35.498
LGA    G    93_A      G    93_A     5.632     0    0.083   0.083     5.632   38.214   38.214
LGA    I    94_A      I    94_A     4.807     0    0.119   1.616     9.885   36.548   25.536
LGA    L    95_A      L    95_A     3.126     0    0.115   0.226     5.464   55.714   44.405
LGA    N    96_A      N    96_A     2.417     0    0.399   1.471     7.239   60.952   42.798
LGA    I    97_A      I    97_A     4.687     0    0.070   0.676     6.730   35.833   26.548
LGA    P    98_A      P    98_A     5.616     0    0.217   0.449     7.733   16.190   17.823
LGA    L    99_A      L    99_A     9.246     0    0.101   0.137    11.396    2.262    1.250
LGA    Q   100_A      Q   100_A     9.540     0    0.492   1.064    10.652    1.310    2.698
LGA    N   101_A      N   101_A     9.929     0    0.297   0.781    13.019    0.476    0.417
LGA    T   102_A      T   102_A    15.221     0    0.015   0.054    19.163    0.000    0.000
LGA    K   103_A      K   103_A    16.734     0    0.021   0.814    20.322    0.000    0.000
LGA    F   104_A      F   104_A    12.359     0    0.038   1.459    13.543    0.000    0.000
LGA    S   105_A      S   105_A    13.488     0    0.053   0.067    15.435    0.000    0.000
LGA    D   106_A      D   106_A    17.983     0    0.044   0.838    20.122    0.000    0.000
LGA    V   107_A      V   107_A    15.832     0    0.023   0.942    17.061    0.000    0.000
LGA    W   108_A      W   108_A    12.556     0    0.056   1.253    14.298    0.000    1.769
LGA    N   109_A      N   109_A    17.354     0    0.065   0.858    21.086    0.000    0.000
LGA    K   110_A      K   110_A    19.116     0    0.028   1.209    27.206    0.000    0.000
LGA    C   111_A      C   111_A    14.861     0    0.068   0.081    16.054    0.000    0.000
LGA    F   112_A      F   112_A    14.813     0    0.301   0.356    16.206    0.000    0.000
LGA    G   113_A      G   113_A    18.895     0    0.573   0.573    20.426    0.000    0.000
LGA    D   114_A      D   114_A    23.986     3    0.705   0.681    26.543    0.000    0.000
LGA    Q   115_A      Q   115_A    22.556     0    0.042   0.209    23.151    0.000    0.000
LGA    L   116_A      L   116_A    19.358     0    0.403   1.238    21.028    0.000    0.000
LGA    K   117_A      K   117_A    24.846     0    0.125   0.781    30.089    0.000    0.000
LGA    T   118_A      T   118_A    24.259     0    0.170   1.038    24.573    0.000    0.000
LGA    I   119_A      I   119_A    21.361     0    0.533   1.039    22.261    0.000    0.000
LGA    G   120_A      G   120_A    24.550     0    0.091   0.091    24.550    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     843    843  100.00               104
SUMMARY(RMSD_GDC):     7.134          7.125                  7.318           41.461   34.597

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0     56    2.24    52.644    49.041     2.394

LGA_LOCAL      RMSD:   2.239  Number of atoms:   56  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  10.005  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   7.134  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.381050 * X  +  -0.284630 * Y  +   0.879651 * Z  +  -2.927540
  Y_new =  -0.683451 * X  +  -0.554036 * Y  +  -0.475330 * Z  +  29.438356
  Z_new =   0.622652 * X  +  -0.782323 * Y  +   0.016585 * Z  +  47.050831 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.079409 -0.672127 -1.549600   [DEG: -119.1414  -38.5101  -88.7855 ]
ZXZ:  1.075383  1.554210  2.469356   [DEG:   61.6149   89.0497  141.4837 ]
 
# END of job
