
#######################################################
#                                                     #
#                        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:    96      17_A - 112_A       4.96     6.99
  LCS_AVERAGE:     87.26

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    46      17_A - 62_A        1.84     9.73
  LCS_AVERAGE:     34.84

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    33      18_A - 50_A        1.00    10.02
  LCS_AVERAGE:     24.34

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     32   46   96      8   24   36   41   42   45   52   58   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     E    18_A     E    18_A     33   46   96      8   28   36   41   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     E    19_A     E    19_A     33   46   96      8   25   36   41   42   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     M    20_A     M    20_A     33   46   96      8   25   36   41   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     N    21_A     N    21_A     33   46   96      8   25   36   41   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     K    22_A     K    22_A     33   46   96      9   25   36   41   42   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     V    23_A     V    23_A     33   46   96      8   25   36   41   42   45   55   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     H    24_A     H    24_A     33   46   96      9   25   36   41   42   44   51   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     N    25_A     N    25_A     33   46   96      9   25   36   41   42   44   49   54   60   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     I    26_A     I    26_A     33   46   96      9   25   36   41   42   44   49   54   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     K    27_A     K    27_A     33   46   96      9   25   36   41   42   44   49   54   60   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     C    28_A     C    28_A     33   46   96      9   25   36   41   42   44   49   54   60   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     H    29_A     H    29_A     33   46   96      3   23   36   41   42   44   48   53   58   64   70   78   84   85   89   93   93   94   95   95 
LCS_GDT     F    30_A     F    30_A     33   46   96      8   25   36   41   42   44   49   54   60   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     D    31_A     D    31_A     33   46   96      3   25   36   41   42   44   48   53   58   64   70   78   84   85   89   93   93   94   95   95 
LCS_GDT     N    32_A     N    32_A     33   46   96      3    6   17   38   42   44   48   53   58   64   69   76   84   85   89   93   93   94   95   95 
LCS_GDT     C    33_A     C    33_A     33   46   96      8   24   36   41   42   44   49   54   60   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     N    34_A     N    34_A     33   46   96      3   18   35   41   42   44   49   54   60   64   73   78   84   85   89   93   93   94   95   95 
LCS_GDT     R    35_A     R    35_A     33   46   96      8   25   36   41   42   44   49   54   60   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     K    36_A     K    36_A     33   46   96      8   25   36   41   42   44   49   54   60   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     I    37_A     I    37_A     33   46   96      6   25   36   41   42   44   49   56   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     H    38_A     H    38_A     33   46   96      9   25   36   41   42   44   49   56   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     W    39_A     W    39_A     33   46   96      8   22   36   41   42   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     K    40_A     K    40_A     33   46   96      5   23   36   41   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     I    41_A     I    41_A     33   46   96      7   23   35   41   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     R    42_A     R    42_A     33   46   96      8   25   36   41   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     Y    43_A     Y    43_A     33   46   96      8   24   36   41   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     G    44_A     G    44_A     33   46   96      3   25   36   41   42   44   50   58   62   65   71   78   84   85   89   93   93   94   95   95 
LCS_GDT     K    45_A     K    45_A     33   46   96      9   25   36   41   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     L    46_A     L    46_A     33   46   96      7   19   36   41   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     R    47_A     R    47_A     33   46   96      8   24   36   41   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     L    48_A     L    48_A     33   46   96      9   25   36   41   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     V    49_A     V    49_A     33   46   96      9   25   36   41   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     D    50_A     D    50_A     33   46   96      9   25   36   41   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     H    51_A     H    51_A     24   46   96      9   25   36   41   42   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     A    52_A     A    52_A     24   46   96      8   25   36   41   42   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     L    53_A     L    53_A     24   46   96      8   25   36   41   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     S    54_A     S    54_A     24   46   96      9   25   36   41   42   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     H    55_A     H    55_A     24   46   96      9   25   36   41   42   45   55   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     Q    56_A     Q    56_A     24   46   96      9   25   36   41   42   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     E    57_A     E    57_A     24   46   96      4   23   34   41   42   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     E    58_A     E    58_A     24   46   96      8   23   34   41   43   50   56   59   62   65   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     K    59_A     K    59_A     29   46   96      3    4    4   23   38   42   51   59   62   64   68   73   80   84   89   93   93   94   95   95 
LCS_GDT     S    60_A     S    60_A     32   46   96      3    4   19   36   42   45   51   55   60   64   67   70   71   80   85   89   93   94   95   95 
LCS_GDT     I    61_A     I    61_A     32   46   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     D    62_A     D    62_A     32   46   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     C    63_A     C    63_A     32   38   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     Q    64_A     Q    64_A     32   38   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     K    65_A     K    65_A     32   38   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     C    66_A     C    66_A     32   38   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     E    67_A     E    67_A     32   38   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     Y    68_A     Y    68_A     32   38   96     18   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     S    69_A     S    69_A     32   38   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     C    70_A     C    70_A     32   38   96      3   28   33   38   43   50   56   59   62   65   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     Q    71_A     Q    71_A     32   38   96      3   28   33   38   42   49   54   59   62   64   68   73   80   84   89   93   93   94   95   95 
LCS_GDT     T    72_A     T    72_A     32   38   96     19   28   34   39   43   50   56   59   62   65   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     T    73_A     T    73_A     32   38   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     R    74_A     R    74_A     32   38   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     Q    75_A     Q    75_A     32   38   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     M    76_A     M    76_A     32   38   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     R    77_A     R    77_A     32   38   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     Y    78_A     Y    78_A     32   38   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     H    79_A     H    79_A     32   38   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     Y    80_A     Y    80_A     32   38   96     12   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     K    81_A     K    81_A     32   38   96     12   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     K    82_A     K    82_A     32   38   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     I    83_A     I    83_A     32   38   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     H    84_A     H    84_A     32   38   96     19   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     A    85_A     A    85_A     32   38   96     19   28   33   38   43   50   56   59   62   65   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     N    86_A     N    86_A     32   38   96     13   28   33   38   43   50   56   59   62   65   70   77   82   85   89   93   93   94   95   95 
LCS_GDT     L    87_A     L    87_A     32   38   96     10   28   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     K    88_A     K    88_A     32   38   96      4   23   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     M    89_A     M    89_A     32   38   96      3   19   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     E    90_A     E    90_A     32   38   96      3   16   33   38   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     G    91_A     G    91_A     32   38   96      3   12   20   36   43   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     F    92_A     F    92_A      5   38   96      3    3   16   28   39   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     G    93_A     G    93_A      4   38   96      3    3    4    5    8   12   18   45   53   59   62   71   78   84   89   93   93   94   95   95 
LCS_GDT     I    94_A     I    94_A      4   38   96      3    3    4   16   32   43   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     L    95_A     L    95_A      4   38   96      3    6   14   27   38   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     N    96_A     N    96_A      4   38   96      4    4   13   24   39   50   56   59   62   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     I    97_A     I    97_A      4    8   96      4    4    7    7   11   20   28   39   57   65   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     P    98_A     P    98_A      4    8   96      4    4    7    7   13   20   28   38   52   62   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     L    99_A     L    99_A      4   15   96      4    4    5    7    8   13   18   34   45   56   64   73   84   85   89   93   93   94   95   95 
LCS_GDT     Q   100_A     Q   100_A     14   17   96      4    7   11   14   15   16   19   23   45   57   67   78   84   85   89   93   93   94   95   95 
LCS_GDT     N   101_A     N   101_A     14   17   96     12   13   13   14   16   20   28   36   46   60   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     T   102_A     T   102_A     14   17   96     12   13   13   14   20   26   30   39   45   57   65   76   84   85   89   93   93   94   95   95 
LCS_GDT     K   103_A     K   103_A     14   17   96     12   13   13   14   16   17   19   20   28   37   41   54   59   71   80   83   88   93   95   95 
LCS_GDT     F   104_A     F   104_A     14   17   96     12   13   13   14   16   20   28   34   39   56   63   72   84   85   89   93   93   94   95   95 
LCS_GDT     S   105_A     S   105_A     14   17   96     12   13   13   14   24   38   49   54   60   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     D   106_A     D   106_A     14   17   96     12   13   13   14   16   17   19   20   45   50   57   67   73   79   85   93   93   94   95   95 
LCS_GDT     V   107_A     V   107_A     14   17   96     12   13   13   14   16   17   19   25   33   50   57   67   73   79   88   93   93   94   95   95 
LCS_GDT     W   108_A     W   108_A     14   17   96     12   13   13   14   35   40   49   54   60   66   74   78   84   85   89   93   93   94   95   95 
LCS_GDT     N   109_A     N   109_A     14   17   96     12   13   13   14   16   17   33   45   49   57   60   64   73   79   87   93   93   94   95   95 
LCS_GDT     K   110_A     K   110_A     14   17   96     12   13   13   14   16   17   19   20   21   23   38   44   53   58   65   73   81   90   94   95 
LCS_GDT     C   111_A     C   111_A     14   17   96     12   13   13   14   16   17   19   25   31   45   52   61   69   79   89   93   93   94   95   95 
LCS_GDT     F   112_A     F   112_A     14   17   96     12   13   13   14   26   37   42   46   50   53   58   64   67   82   89   93   93   94   95   95 
LCS_GDT     G   113_A     G   113_A     14   17   54      6   13   13   14   16   17   19   20   42   48   50   55   57   63   66   69   81   91   94   95 
LCS_GDT     D   114_A     D   114_A      6   17   24      3    5    8   13   16   17   19   20   21   23   25   26   42   46   48   50   54   57   61   66 
LCS_GDT     Q   115_A     Q   115_A      6   17   24      3    6   12   14   16   17   19   20   21   23   35   37   43   46   50   52   56   59   63   66 
LCS_GDT     L   116_A     L   116_A      6   17   24      3    5    7   13   16   17   19   20   25   41   44   46   48   52   54   58   59   68   71   75 
LCS_GDT     K   117_A     K   117_A      6   17   24      3    5    7    9   11   14   17   20   20   21   23   24   25   26   27   28   30   31   33   53 
LCS_GDT     T   118_A     T   118_A      6   15   24      3    4    7    9   11   14   17   20   21   23   23   24   25   26   27   29   30   31   33   35 
LCS_GDT     I   119_A     I   119_A      4    4   24      3    4    4    4    4    5   19   20   21   23   23   24   25   26   27   29   30   31   34   35 
LCS_GDT     G   120_A     G   120_A      4    4   24      3    4    4    4    4    5   19   20   21   23   23   24   25   26   27   29   30   31   33   35 
LCS_AVERAGE  LCS_A:  48.81  (  24.34   34.84   87.26 )

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     28     36     41     43     50     56     59     62     66     74     78     84     85     89     93     93     94     95     95 
GDT PERCENT_AT  18.27  26.92  34.62  39.42  41.35  48.08  53.85  56.73  59.62  63.46  71.15  75.00  80.77  81.73  85.58  89.42  89.42  90.38  91.35  91.35
GDT RMS_LOCAL    0.31   0.59   0.93   1.08   1.48   1.87   2.20   2.34   2.50   3.41   3.69   3.84   4.14   4.18   4.42   4.69   4.69   4.76   4.85   4.85
GDT RMS_ALL_AT  11.38  11.40  10.78  10.56  10.10   9.46   8.78   8.74   8.74   7.16   7.13   7.11   7.03   7.04   7.02   6.98   6.98   6.98   6.99   6.99

# 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:  E    90_A      E    90_A
#   possible swapping detected:  F   104_A      F   104_A
#   possible swapping detected:  D   106_A      D   106_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A     5.187     4    0.057   0.064     6.144   35.238   17.566
LGA    E    18_A      E    18_A     1.842     4    0.080   0.093     3.117   73.690   41.799
LGA    E    19_A      E    19_A     2.847     4    0.158   0.165     4.401   60.952   31.217
LGA    M    20_A      M    20_A     2.814     0    0.018   0.350     4.539   60.952   49.107
LGA    N    21_A      N    21_A     1.914     0    0.012   0.910     3.096   68.929   66.012
LGA    K    22_A      K    22_A     2.563     0    0.066   1.091     5.865   65.119   48.095
LGA    V    23_A      V    23_A     4.728     0    0.022   0.035     6.111   27.976   24.558
LGA    H    24_A      H    24_A     5.777     0    0.086   1.056     7.984   24.048   17.714
LGA    N    25_A      N    25_A     8.561     0    0.058   0.881    13.351    4.048    2.024
LGA    I    26_A      I    26_A     7.580     0    0.048   0.597     8.304    6.548   11.845
LGA    K    27_A      K    27_A    10.351     0    0.043   0.285    15.864    0.357    0.159
LGA    C    28_A      C    28_A    10.026     0    0.185   0.636    13.194    0.000    0.714
LGA    H    29_A      H    29_A    13.429     0    0.185   1.145    15.882    0.000    0.000
LGA    F    30_A      F    30_A    12.202     0    0.014   1.181    13.868    0.000    0.043
LGA    D    31_A      D    31_A    15.381     0    0.636   0.518    17.416    0.000    0.000
LGA    N    32_A      N    32_A    15.481     0    0.024   0.537    17.624    0.000    0.000
LGA    C    33_A      C    33_A    12.901     0    0.090   0.135    13.708    0.000    0.000
LGA    N    34_A      N    34_A    13.539     0    0.116   0.156    15.782    0.000    0.000
LGA    R    35_A      R    35_A    11.964     0    0.028   1.285    15.496    0.000    0.000
LGA    K    36_A      K    36_A    10.268     0    0.083   0.847    14.662    0.476    0.212
LGA    I    37_A      I    37_A     6.923     0    0.038   0.623     7.843   12.738   19.524
LGA    H    38_A      H    38_A     7.134     0    0.186   1.010    13.544   15.714    6.571
LGA    W    39_A      W    39_A     2.417     0    0.038   1.025     7.053   54.167   44.762
LGA    K    40_A      K    40_A     1.530     0    0.024   0.175     5.351   75.000   58.095
LGA    I    41_A      I    41_A     1.910     0    0.021   0.718     3.336   69.048   65.060
LGA    R    42_A      R    42_A     3.397     0    0.128   1.014    13.266   45.476   23.117
LGA    Y    43_A      Y    43_A     3.006     0    0.668   0.599     4.143   57.262   52.619
LGA    G    44_A      G    44_A     4.861     0    0.143   0.143     4.861   40.833   40.833
LGA    K    45_A      K    45_A     2.702     0    0.047   1.195     4.259   61.190   52.857
LGA    L    46_A      L    46_A     2.090     0    0.084   1.369     4.607   73.095   66.905
LGA    R    47_A      R    47_A     1.027     0    0.021   0.965     4.966   85.952   68.615
LGA    L    48_A      L    48_A     1.688     0    0.029   1.443     6.375   75.238   57.143
LGA    V    49_A      V    49_A     1.826     0    0.018   0.079     3.463   77.143   67.551
LGA    D    50_A      D    50_A     1.053     0    0.009   0.219     3.706   81.548   68.571
LGA    H    51_A      H    51_A     2.777     0    0.027   0.125     6.620   59.286   38.143
LGA    A    52_A      A    52_A     3.264     0    0.021   0.031     3.744   53.571   51.524
LGA    L    53_A      L    53_A     0.864     0    0.084   0.085     3.384   79.405   70.476
LGA    S    54_A      S    54_A     3.659     0    0.030   0.656     5.253   42.857   43.333
LGA    H    55_A      H    55_A     5.378     0    0.042   0.170     7.408   26.667   19.571
LGA    Q    56_A      Q    56_A     3.836     0    0.091   1.090     4.069   41.786   48.730
LGA    E    57_A      E    57_A     4.081     4    0.180   0.198     4.941   47.143   24.444
LGA    E    58_A      E    58_A     0.711     4    0.291   0.337     1.976   83.810   45.344
LGA    K    59_A      K    59_A     4.378     0    0.135   0.469    11.158   34.762   18.201
LGA    S    60_A      S    60_A     5.120     0    0.677   0.582     6.722   35.952   28.413
LGA    I    61_A      I    61_A     2.241     0    0.085   0.623     3.161   63.095   70.357
LGA    D    62_A      D    62_A     2.045     0    0.006   0.100     2.495   68.810   66.786
LGA    C    63_A      C    63_A     1.472     0    0.083   0.124     1.870   75.000   77.143
LGA    Q    64_A      Q    64_A     2.346     0    0.071   1.054     3.251   64.881   61.587
LGA    K    65_A      K    65_A     1.622     0    0.190   0.286     4.121   77.143   66.455
LGA    C    66_A      C    66_A     1.033     0    0.055   0.088     1.368   81.429   81.429
LGA    E    67_A      E    67_A     1.293     4    0.080   0.080     2.343   77.381   43.439
LGA    Y    68_A      Y    68_A     1.443     0    0.014   1.286     9.167   77.143   47.302
LGA    S    69_A      S    69_A     2.006     0    0.021   0.693     2.552   66.786   67.619
LGA    C    70_A      C    70_A     2.690     0    0.115   0.717     3.285   57.262   57.302
LGA    Q    71_A      Q    71_A     3.620     0    0.026   0.292     5.756   46.667   38.995
LGA    T    72_A      T    72_A     2.550     0    0.046   0.114     2.849   62.976   61.565
LGA    T    73_A      T    73_A     1.817     0    0.019   0.130     2.554   75.119   68.503
LGA    R    74_A      R    74_A     1.311     0    0.042   1.436     6.231   81.429   64.675
LGA    Q    75_A      Q    75_A     1.818     0    0.021   0.678     5.207   77.143   59.577
LGA    M    76_A      M    76_A     1.013     0    0.030   0.150     1.414   88.333   84.881
LGA    R    77_A      R    77_A     0.485     0    0.038   0.937     3.469   92.976   81.429
LGA    Y    78_A      Y    78_A     1.429     0    0.010   1.218     9.404   81.429   46.587
LGA    H    79_A      H    79_A     0.790     0    0.037   0.148     1.405   90.476   87.762
LGA    Y    80_A      Y    80_A     0.892     0    0.038   0.341     2.522   88.333   76.786
LGA    K    81_A      K    81_A     1.940     0    0.038   1.047     4.084   70.952   57.354
LGA    K    82_A      K    82_A     1.891     0    0.041   0.897     6.003   72.857   56.402
LGA    I    83_A      I    83_A     1.585     0    0.040   0.072     1.692   72.857   76.071
LGA    H    84_A      H    84_A     1.718     0    0.036   0.171     1.967   72.857   78.952
LGA    A    85_A      A    85_A     2.305     0    0.017   0.022     2.645   62.857   63.238
LGA    N    86_A      N    86_A     2.526     3    0.045   0.048     2.611   60.952   37.619
LGA    L    87_A      L    87_A     2.168     0    0.064   0.884     4.962   64.762   59.643
LGA    K    88_A      K    88_A     2.175     0    0.627   0.967     8.753   64.881   44.921
LGA    M    89_A      M    89_A     1.466     0    0.549   1.141     5.741   65.595   57.083
LGA    E    90_A      E    90_A     0.985     0    0.485   0.590     2.542   81.786   76.984
LGA    G    91_A      G    91_A     2.643     0    0.525   0.525     4.005   56.071   56.071
LGA    F    92_A      F    92_A     3.080     0    0.224   1.192     6.610   46.905   41.169
LGA    G    93_A      G    93_A     6.543     0    0.231   0.231     6.543   28.571   28.571
LGA    I    94_A      I    94_A     3.855     0    0.107   1.303     8.280   46.071   33.214
LGA    L    95_A      L    95_A     3.232     0    0.104   0.165     7.225   59.762   40.595
LGA    N    96_A      N    96_A     2.896     0    0.474   1.086     8.233   52.143   36.131
LGA    I    97_A      I    97_A     5.751     0    0.056   0.899     9.214   21.786   13.690
LGA    P    98_A      P    98_A     7.534     0    0.192   0.419     9.173    6.190    7.007
LGA    L    99_A      L    99_A    10.531     0    0.111   0.139    12.124    0.357    0.179
LGA    Q   100_A      Q   100_A     9.612     0    0.498   0.378    11.296    0.952    1.164
LGA    N   101_A      N   101_A     9.686     0    0.704   1.158    11.768    0.476    0.833
LGA    T   102_A      T   102_A    14.102     0    0.110   0.101    17.608    0.000    0.000
LGA    K   103_A      K   103_A    15.907     0    0.064   0.804    20.953    0.000    0.000
LGA    F   104_A      F   104_A    11.338     0    0.047   1.431    13.980    0.000    0.000
LGA    S   105_A      S   105_A    10.850     0    0.033   0.723    12.700    0.000    0.000
LGA    D   106_A      D   106_A    15.995     0    0.019   1.275    20.325    0.000    0.000
LGA    V   107_A      V   107_A    14.392     0    0.024   0.944    16.494    0.000    0.000
LGA    W   108_A      W   108_A    10.260     0    0.012   1.218    11.731    0.000    4.422
LGA    N   109_A      N   109_A    15.028     0    0.077   0.707    19.139    0.000    0.000
LGA    K   110_A      K   110_A    17.563     0    0.228   1.233    26.415    0.000    0.000
LGA    C   111_A      C   111_A    13.372     0    0.031   0.749    14.602    0.000    0.000
LGA    F   112_A      F   112_A    12.438     0    0.158   1.021    14.290    0.000    1.169
LGA    G   113_A      G   113_A    16.366     0    0.362   0.362    17.730    0.000    0.000
LGA    D   114_A      D   114_A    21.524     3    0.100   0.103    23.993    0.000    0.000
LGA    Q   115_A      Q   115_A    17.693     0    0.242   0.893    20.211    0.000    0.000
LGA    L   116_A      L   116_A    15.416     0    0.104   1.001    16.876    0.000    0.000
LGA    K   117_A      K   117_A    21.292     0    0.516   0.898    28.590    0.000    0.000
LGA    T   118_A      T   118_A    20.197     0    0.046   0.115    20.341    0.000    0.000
LGA    I   119_A      I   119_A    20.224     0    0.164   1.156    21.972    0.000    0.000
LGA    G   120_A      G   120_A    22.666     0    0.044   0.044    22.666    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):     6.858          6.829                  7.212           40.975   34.367

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0     59    2.34    53.125    49.457     2.414

LGA_LOCAL      RMSD:   2.344  Number of atoms:   59  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   8.745  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:   6.858  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.314165 * X  +  -0.755114 * Y  +   0.575416 * Z  +   5.262443
  Y_new =  -0.940425 * X  +   0.164527 * Y  +  -0.297544 * Z  +  31.036835
  Z_new =   0.130008 * X  +  -0.634613 * Y  +  -0.761816 * Z  +  42.681820 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.893207 -0.130377 -2.447035   [DEG: -108.4728   -7.4701 -140.2048 ]
ZXZ:  1.093567  2.436908  2.939526   [DEG:   62.6568  139.6246  168.4225 ]
 
# END of job
