
#######################################################
#                                                     #
#                        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  138 ( 1163),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  891),  selected  106 , 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:   106      12_A - 117_A       3.53     3.53
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91      14_A - 104_A       1.96     4.37
  LONGEST_CONTINUOUS_SEGMENT:    91      15_A - 105_A       1.94     4.22
  LONGEST_CONTINUOUS_SEGMENT:    91      16_A - 106_A       1.95     4.09
  LONGEST_CONTINUOUS_SEGMENT:    91      17_A - 107_A       1.96     3.97
  LCS_AVERAGE:     79.41

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    40      17_A - 56_A        0.72     4.50
  LCS_AVERAGE:     26.61

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
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     Q    12_A     Q    12_A      3   45  106      3    6   10   16   24   32   44   78   86   89   89   90   93   93   95   98  102  103  103  104 
LCS_GDT     D    13_A     D    13_A      6   88  106      5    6    7    9   11   25   34   44   55   76   84   89   91   92   93   94   95   97  101  103 
LCS_GDT     P    14_A     P    14_A      6   91  106      5    6    7   20   38   76   83   86   87   89   90   91   94   97  101  102  103  104  104  104 
LCS_GDT     G    15_A     G    15_A      6   91  106      5    6    7   26   65   76   84   86   87   89   92   94   99  100  101  102  103  104  104  104 
LCS_GDT     I    16_A     I    16_A      6   91  106      5    6   13   40   66   76   84   86   87   89   92   94   99  100  101  102  103  104  104  104 
LCS_GDT     N    17_A     N    17_A     40   91  106     24   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     R    18_A     R    18_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     K    19_A     K    19_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     A    20_A     A    20_A     40   91  106      9   53   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     I    21_A     I    21_A     40   91  106     19   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     N    22_A     N    22_A     40   91  106      9   53   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     F    23_A     F    23_A     40   91  106      3   17   43   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     D    24_A     D    24_A     40   91  106     10   53   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     L    25_A     L    25_A     40   91  106     11   39   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     S    26_A     S    26_A     40   91  106     12   48   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     T    27_A     T    27_A     40   91  106     12   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     K    28_A     K    28_A     40   91  106     19   54   73   80   82   85   90   91   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     S    29_A     S    29_A     40   91  106     12   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     L    30_A     L    30_A     40   91  106     22   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     E    31_A     E    31_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     K    32_A     K    32_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     Y    33_A     Y    33_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     F    34_A     F    34_A     40   91  106      4   48   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     K    35_A     K    35_A     40   91  106      4   48   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     D    36_A     D    36_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     T    37_A     T    37_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     R    38_A     R    38_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     E    39_A     E    39_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     P    40_A     P    40_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     Y    41_A     Y    41_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     S    42_A     S    42_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     L    43_A     L    43_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     I    44_A     I    44_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     K    45_A     K    45_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     K    46_A     K    46_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     F    47_A     F    47_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     M    48_A     M    48_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     L    49_A     L    49_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     E    50_A     E    50_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     N    51_A     N    51_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     G    52_A     G    52_A     40   91  106     17   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     F    53_A     F    53_A     40   91  106     28   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     E    54_A     E    54_A     40   91  106     28   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     H    55_A     H    55_A     40   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     R    56_A     R    56_A     40   91  106     18   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     Q    57_A     Q    57_A     31   91  106      3    3    6   19   44   75   82   86   87   89   90   92   97  100  101  102  103  104  104  104 
LCS_GDT     Y    58_A     Y    58_A      4   91  106      3    4    6   20   29   44   68   83   87   89   89   91   93   96  101  102  103  104  104  104 
LCS_GDT     S    59_A     S    59_A      4   91  106      3    5   12   25   42   70   82   86   87   89   92   94   99  100  101  102  103  104  104  104 
LCS_GDT     G    60_A     G    60_A     31   91  106     18   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     Y    61_A     Y    61_A     31   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     T    62_A     T    62_A     31   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     S    63_A     S    63_A     31   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     K    64_A     K    64_A     31   91  106     14   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     E    65_A     E    65_A     31   91  106      9   51   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     P    66_A     P    66_A     31   91  106      7   52   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     I    67_A     I    67_A     31   91  106     12   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     N    68_A     N    68_A     31   91  106     16   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     E    69_A     E    69_A     31   91  106     15   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     R    70_A     R    70_A     31   91  106     13   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     R    71_A     R    71_A     31   91  106     12   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     V    72_A     V    72_A     31   91  106      9   44   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     I    73_A     I    73_A     31   91  106     13   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     R    74_A     R    74_A     31   91  106     13   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     I    75_A     I    75_A     31   91  106     12   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     I    76_A     I    76_A     31   91  106     13   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     N    77_A     N    77_A     31   91  106     13   44   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     K    78_A     K    78_A     31   91  106     13   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     L    79_A     L    79_A     31   91  106     13   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     T    80_A     T    80_A     31   91  106     13   52   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     K    81_A     K    81_A     31   91  106     13   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     K    82_A     K    82_A     31   91  106     14   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     F    83_A     F    83_A     31   91  106     12   41   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     T    84_A     T    84_A     31   91  106     12   47   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     W    85_A     W    85_A     31   91  106     13   53   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     L    86_A     L    86_A     31   91  106      3   42   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     G    87_A     G    87_A     31   91  106      6   35   69   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     E    88_A     E    88_A     31   91  106      9   48   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     C    89_A     C    89_A     31   91  106     12   42   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     V    90_A     V    90_A     31   91  106      7   26   71   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     K    91_A     K    91_A     18   91  106      8   33   60   80   82   83   86   89   92   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     E    92_A     E    92_A     18   91  106     13   47   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     F    93_A     F    93_A     18   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     D    94_A     D    94_A     18   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     I    95_A     I    95_A     18   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     T    96_A     T    96_A     18   91  106     29   54   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     E    97_A     E    97_A     18   91  106     11   48   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     I    98_A     I    98_A     18   91  106     16   48   73   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     G    99_A     G    99_A     18   91  106     10   48   72   80   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     E   100_A     E   100_A     13   91  106      3   20   64   78   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     Q   101_A     Q   101_A     13   91  106      4   17   46   75   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     Y   102_A     Y   102_A     13   91  106      4   17   36   64   82   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     S   103_A     S   103_A     13   91  106      3   17   35   48   71   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     L   104_A     L   104_A     13   91  106      9   17   35   52   79   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     K   105_A     K   105_A     13   91  106      9   17   35   48   69   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     E   106_A     E   106_A     13   91  106      9   12   35   48   72   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     T   107_A     T   107_A     13   91  106      9   15   35   48   67   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     I   108_A     I   108_A     13   50  106      9   15   30   44   56   69   88   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     Q   109_A     Q   109_A     13   50  106      9   13   30   48   56   73   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     D   110_A     D   110_A     12   21  106      9   12   24   44   55   70   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     L   111_A     L   111_A     12   21  106      9   11   24   40   54   61   79   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     C   112_A     C   112_A     12   21  106      9   11   24   40   54   61   72   87   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     A   113_A     A   113_A     12   21  106      5   10   14   39   54   61   79   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     K   114_A     K   114_A     11   21  106      3    5    6   11   13   17   56   57   67   77   95   97   97   98  101  102  103  104  104  104 
LCS_GDT     D   115_A     D   115_A      4   21  106      3    5   30   48   68   85   90   92   94   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     F   116_A     F   116_A      4    5  106      3    5    6    7    8    8   82   89   93   95   96   97   99  100  101  102  103  104  104  104 
LCS_GDT     H   117_A     H   117_A      4    5  106      3    5    6    7    8    8    8   11   15   23   31   55   74   97  100  102  103  104  104  104 
LCS_AVERAGE  LCS_A:  68.68  (  26.61   79.41  100.00 )

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     29     54     73     80     82     85     90     92     94     95     96     97     99    100    101    102    103    104    104    104 
GDT PERCENT_AT  27.36  50.94  68.87  75.47  77.36  80.19  84.91  86.79  88.68  89.62  90.57  91.51  93.40  94.34  95.28  96.23  97.17  98.11  98.11  98.11
GDT RMS_LOCAL    0.32   0.68   0.89   1.03   1.15   1.41   1.95   2.22   2.31   2.32   2.40   2.55   2.63   2.71   2.85   2.91   3.09   3.19   3.19   3.19
GDT RMS_ALL_AT   4.42   4.48   4.41   4.50   4.26   4.02   3.66   3.60   3.60   3.57   3.57   3.59   3.55   3.56   3.57   3.56   3.57   3.55   3.55   3.55

# Checking swapping
#   possible swapping detected:  D    13_A      D    13_A
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  F    47_A      F    47_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  Y    58_A      Y    58_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  E    97_A      E    97_A
#   possible swapping detected:  Y   102_A      Y   102_A
#   possible swapping detected:  F   116_A      F   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    12_A      Q    12_A    10.633     0    0.547   1.076    15.455    0.000    0.000
LGA    D    13_A      D    13_A    12.737     0    0.626   1.158    18.333    0.119    0.060
LGA    P    14_A      P    14_A     8.570     0    0.028   0.298    11.715    9.762    5.986
LGA    G    15_A      G    15_A     7.107     0    0.106   0.106     7.818   11.905   11.905
LGA    I    16_A      I    16_A     6.933     0    0.618   0.573    13.411   27.619   14.762
LGA    N    17_A      N    17_A     1.616     0    0.499   1.168     3.861   65.476   68.214
LGA    R    18_A      R    18_A     1.856     0    0.125   1.386     3.889   70.833   66.061
LGA    K    19_A      K    19_A     1.114     0    0.034   0.643     2.521   85.952   76.984
LGA    A    20_A      A    20_A     0.983     0    0.040   0.054     1.315   90.476   88.667
LGA    I    21_A      I    21_A     0.955     0    0.044   0.123     1.597   83.810   82.679
LGA    N    22_A      N    22_A     1.871     0    0.114   0.142     2.493   70.952   67.857
LGA    F    23_A      F    23_A     2.731     0    0.301   1.193     6.253   55.595   47.403
LGA    D    24_A      D    24_A     1.904     0    0.337   0.463     2.351   70.833   67.798
LGA    L    25_A      L    25_A     1.868     0    0.116   0.264     2.604   72.857   70.893
LGA    S    26_A      S    26_A     1.878     0    0.042   0.074     2.151   68.810   70.159
LGA    T    27_A      T    27_A     2.274     0    0.039   0.986     3.502   64.762   61.701
LGA    K    28_A      K    28_A     2.613     0    0.027   1.051     5.046   57.143   57.354
LGA    S    29_A      S    29_A     2.347     0    0.048   0.081     2.672   64.762   63.492
LGA    L    30_A      L    30_A     1.921     0    0.076   0.152     2.221   66.786   73.036
LGA    E    31_A      E    31_A     2.227     0    0.076   0.174     2.633   64.762   62.222
LGA    K    32_A      K    32_A     2.275     0    0.072   0.897     4.373   62.857   60.265
LGA    Y    33_A      Y    33_A     2.172     0    0.078   0.198     2.591   64.762   63.492
LGA    F    34_A      F    34_A     2.246     0    0.179   0.264     3.219   66.786   61.429
LGA    K    35_A      K    35_A     2.769     0    0.105   0.944     3.125   57.143   60.794
LGA    D    36_A      D    36_A     2.227     0    0.491   0.806     5.678   66.786   50.774
LGA    T    37_A      T    37_A     2.030     0    0.233   1.096     3.590   62.857   64.150
LGA    R    38_A      R    38_A     1.987     0    0.037   0.939     2.958   70.833   73.983
LGA    E    39_A      E    39_A     1.563     0    0.022   0.128     2.394   77.143   72.963
LGA    P    40_A      P    40_A     1.204     0    0.090   0.102     1.619   81.429   78.980
LGA    Y    41_A      Y    41_A     1.419     0    0.103   0.251     2.037   81.429   75.040
LGA    S    42_A      S    42_A     1.222     0    0.020   0.614     2.924   81.429   77.381
LGA    L    43_A      L    43_A     0.914     0    0.006   0.143     1.244   88.214   87.083
LGA    I    44_A      I    44_A     0.918     0    0.023   0.150     1.312   90.476   88.214
LGA    K    45_A      K    45_A     1.057     0    0.017   0.083     2.010   81.429   77.672
LGA    K    46_A      K    46_A     0.964     0    0.018   1.109     6.420   90.476   66.984
LGA    F    47_A      F    47_A     0.777     0    0.052   0.145     0.942   90.476   90.476
LGA    M    48_A      M    48_A     0.989     0    0.029   0.769     2.670   85.952   82.917
LGA    L    49_A      L    49_A     1.416     0    0.066   0.518     2.409   79.286   77.202
LGA    E    50_A      E    50_A     1.190     0    0.063   0.147     1.671   79.286   85.556
LGA    N    51_A      N    51_A     1.596     0    0.101   0.089     2.085   75.000   72.917
LGA    G    52_A      G    52_A     2.291     0    0.046   0.046     2.405   66.786   66.786
LGA    F    53_A      F    53_A     1.940     0    0.071   0.241     2.398   68.810   74.502
LGA    E    54_A      E    54_A     2.273     0    0.065   0.561     4.565   64.762   51.005
LGA    H    55_A      H    55_A     2.183     0    0.040   0.371     2.934   60.952   62.476
LGA    R    56_A      R    56_A     2.963     0    0.632   1.216     3.822   51.905   63.983
LGA    Q    57_A      Q    57_A     6.882     0    0.511   1.144    12.046   11.905    5.661
LGA    Y    58_A      Y    58_A     8.057     0    0.061   1.393    16.098    8.690    3.016
LGA    S    59_A      S    59_A     6.261     0    0.609   0.861     7.135   17.500   15.556
LGA    G    60_A      G    60_A     2.299     0    0.142   0.142     3.214   61.071   61.071
LGA    Y    61_A      Y    61_A     1.777     0    0.082   0.185     2.269   72.857   72.937
LGA    T    62_A      T    62_A     1.801     0    0.076   0.115     2.378   72.857   69.388
LGA    S    63_A      S    63_A     1.798     0    0.023   0.567     1.990   72.857   72.857
LGA    K    64_A      K    64_A     2.064     0    0.074   1.093     8.214   72.976   52.857
LGA    E    65_A      E    65_A     1.409     0    0.050   0.877     5.388   79.286   62.169
LGA    P    66_A      P    66_A     0.859     0    0.053   0.078     1.570   81.548   84.082
LGA    I    67_A      I    67_A     1.909     0    0.137   1.143     3.938   72.857   65.298
LGA    N    68_A      N    68_A     1.035     0    0.039   0.333     2.295   83.690   82.738
LGA    E    69_A      E    69_A     0.608     0    0.044   0.470     1.754   92.857   86.561
LGA    R    70_A      R    70_A     0.807     0    0.036   1.565     6.567   88.214   66.926
LGA    R    71_A      R    71_A     1.512     0    0.075   1.336     7.492   77.143   49.610
LGA    V    72_A      V    72_A     1.399     0    0.009   0.086     2.139   81.429   76.599
LGA    I    73_A      I    73_A     0.425     0    0.113   1.517     3.356   92.857   80.238
LGA    R    74_A      R    74_A     1.062     0    0.024   1.439     5.565   83.690   67.576
LGA    I    75_A      I    75_A     1.349     0    0.050   0.110     2.291   81.429   76.131
LGA    I    76_A      I    76_A     0.895     0    0.032   0.611     2.467   88.214   85.000
LGA    N    77_A      N    77_A     0.924     0    0.054   1.325     4.204   90.476   76.429
LGA    K    78_A      K    78_A     0.981     0    0.032   0.645     3.135   83.690   76.296
LGA    L    79_A      L    79_A     0.938     0    0.045   0.101     1.272   85.952   87.083
LGA    T    80_A      T    80_A     1.118     0    0.108   1.167     3.335   79.286   72.245
LGA    K    81_A      K    81_A     1.168     0    0.023   0.284     1.448   81.429   84.444
LGA    K    82_A      K    82_A     1.566     0    0.037   0.572     3.674   72.976   70.582
LGA    F    83_A      F    83_A     2.218     0    0.446   0.359     4.296   57.976   71.429
LGA    T    84_A      T    84_A     2.320     0    0.239   1.073     3.427   64.762   61.565
LGA    W    85_A      W    85_A     2.030     0    0.125   1.147     9.660   68.810   35.136
LGA    L    86_A      L    86_A     1.922     0    0.085   1.283     4.524   68.810   57.262
LGA    G    87_A      G    87_A     3.000     0    0.065   0.065     3.447   55.357   55.357
LGA    E    88_A      E    88_A     2.336     0    0.025   1.070     5.070   64.762   50.000
LGA    C    89_A      C    89_A     2.085     0    0.091   0.095     2.173   66.786   66.111
LGA    V    90_A      V    90_A     2.150     0    0.635   0.930     4.401   62.857   57.619
LGA    K    91_A      K    91_A     4.195     0    0.134   0.644     4.862   37.262   39.259
LGA    E    92_A      E    92_A     3.110     0    0.078   1.118     5.003   59.405   48.571
LGA    F    93_A      F    93_A     1.083     0    0.179   0.986     5.761   79.286   60.043
LGA    D    94_A      D    94_A     0.912     0    0.026   0.314     1.878   90.476   86.012
LGA    I    95_A      I    95_A     0.908     0    0.027   0.673     2.636   90.476   85.179
LGA    T    96_A      T    96_A     1.280     0    0.087   0.269     2.059   81.429   79.048
LGA    E    97_A      E    97_A     2.209     0    0.049   0.898     3.671   64.762   56.720
LGA    I    98_A      I    98_A     2.289     0    0.040   0.712     2.776   64.762   62.857
LGA    G    99_A      G    99_A     2.471     0    0.580   0.580     4.426   55.952   55.952
LGA    E   100_A      E   100_A     1.844     0    0.068   0.899     4.459   66.905   58.095
LGA    Q   101_A      Q   101_A     2.271     0    0.118   1.475     5.973   66.786   55.450
LGA    Y   102_A      Y   102_A     2.204     0    0.033   0.195     2.681   62.857   70.278
LGA    S   103_A      S   103_A     2.679     0    0.308   0.731     4.655   60.952   54.206
LGA    L   104_A      L   104_A     2.339     0    0.227   1.374     3.708   59.167   57.500
LGA    K   105_A      K   105_A     2.911     0    0.102   0.829     3.758   55.357   54.021
LGA    E   106_A      E   106_A     2.767     0    0.038   1.285     7.329   53.810   43.016
LGA    T   107_A      T   107_A     3.190     0    0.025   0.158     4.126   46.905   51.293
LGA    I   108_A      I   108_A     4.297     0    0.038   0.111     5.278   34.524   34.464
LGA    Q   109_A      Q   109_A     4.391     0    0.009   0.284     5.251   32.976   41.852
LGA    D   110_A      D   110_A     4.960     0    0.030   0.796     6.103   27.619   27.083
LGA    L   111_A      L   111_A     5.987     0    0.017   0.089     6.736   19.524   19.940
LGA    C   112_A      C   112_A     6.439     0    0.422   0.430     7.519   13.690   14.206
LGA    A   113_A      A   113_A     6.684     0    0.144   0.150     7.624   11.190   12.381
LGA    K   114_A      K   114_A     9.432     0    0.499   0.942    19.492    4.524    2.011
LGA    D   115_A      D   115_A     3.338     0    0.148   1.277     5.003   51.548   46.905
LGA    F   116_A      F   116_A     6.116     0    0.624   1.398    15.325   15.119    6.147
LGA    H   117_A      H   117_A    11.225     0    0.194   0.493    16.040    0.357    0.143

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     891    891  100.00               106
SUMMARY(RMSD_GDC):     3.535          3.501                  4.367           62.792   58.724

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     92    2.22    77.358    80.421     3.963

LGA_LOCAL      RMSD:   2.221  Number of atoms:   92  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.597  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   3.535  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.779489 * X  +  -0.265710 * Y  +  -0.567270 * Z  + -28.689957
  Y_new =   0.603807 * X  +   0.077607 * Y  +   0.793344 * Z  + -43.836803
  Z_new =  -0.166776 * X  +  -0.960924 * Y  +   0.220931 * Z  +  11.722402 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.659072  0.167559 -1.344809   [DEG:   37.7620    9.6004  -77.0519 ]
ZXZ: -2.520847  1.348027 -2.969747   [DEG: -144.4339   77.2363 -170.1540 ]
 
# END of job
