
#######################################################
#                                                     #
#                        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       2.77     2.77
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101      15_A - 115_A       1.95     2.84
  LCS_AVERAGE:     93.45

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    80      17_A - 96_A        1.00     3.15
  LCS_AVERAGE:     61.60

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   90  106      3    3    4    5    7    9   19   30   55   86  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     D    13_A     D    13_A      3   99  106      3    3    6   17   32   49   86   95  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     P    14_A     P    14_A      3  100  106      3    3    4    5    6   16   18   49   63   82   93  103  104  104  106  106  106  106  106  106 
LCS_GDT     G    15_A     G    15_A     43  101  106      3    4    7   61   84   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    16_A     I    16_A     78  101  106     16   77   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     N    17_A     N    17_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     R    18_A     R    18_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    19_A     K    19_A     80  101  106     46   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     A    20_A     A    20_A     80  101  106     45   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    21_A     I    21_A     80  101  106     36   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     N    22_A     N    22_A     80  101  106     45   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     F    23_A     F    23_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     D    24_A     D    24_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     L    25_A     L    25_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     S    26_A     S    26_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     T    27_A     T    27_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    28_A     K    28_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     S    29_A     S    29_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     L    30_A     L    30_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    31_A     E    31_A     80  101  106     43   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    32_A     K    32_A     80  101  106     44   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     Y    33_A     Y    33_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     F    34_A     F    34_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    35_A     K    35_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     D    36_A     D    36_A     80  101  106     44   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     T    37_A     T    37_A     80  101  106     44   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     R    38_A     R    38_A     80  101  106     44   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    39_A     E    39_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     P    40_A     P    40_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     Y    41_A     Y    41_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     S    42_A     S    42_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     L    43_A     L    43_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    44_A     I    44_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    45_A     K    45_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    46_A     K    46_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     F    47_A     F    47_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     M    48_A     M    48_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     L    49_A     L    49_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    50_A     E    50_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     N    51_A     N    51_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     G    52_A     G    52_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     F    53_A     F    53_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    54_A     E    54_A     80  101  106     27   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     H    55_A     H    55_A     80  101  106     42   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     R    56_A     R    56_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     Q    57_A     Q    57_A     80  101  106      3    3   13   33   79   89   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     Y    58_A     Y    58_A     80  101  106      3    3    4   17   24   29   72   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     S    59_A     S    59_A     80  101  106      3    3   10   17   24   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     G    60_A     G    60_A     80  101  106     48   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     Y    61_A     Y    61_A     80  101  106     36   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     T    62_A     T    62_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     S    63_A     S    63_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    64_A     K    64_A     80  101  106     42   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    65_A     E    65_A     80  101  106     40   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     P    66_A     P    66_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    67_A     I    67_A     80  101  106     39   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     N    68_A     N    68_A     80  101  106     28   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    69_A     E    69_A     80  101  106     28   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     R    70_A     R    70_A     80  101  106     39   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     R    71_A     R    71_A     80  101  106     44   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     V    72_A     V    72_A     80  101  106     44   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    73_A     I    73_A     80  101  106     46   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     R    74_A     R    74_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    75_A     I    75_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    76_A     I    76_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     N    77_A     N    77_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    78_A     K    78_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     L    79_A     L    79_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     T    80_A     T    80_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    81_A     K    81_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    82_A     K    82_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     F    83_A     F    83_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     T    84_A     T    84_A     80  101  106     40   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     W    85_A     W    85_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     L    86_A     L    86_A     80  101  106     40   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     G    87_A     G    87_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    88_A     E    88_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     C    89_A     C    89_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     V    90_A     V    90_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    91_A     K    91_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    92_A     E    92_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     F    93_A     F    93_A     80  101  106     49   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     D    94_A     D    94_A     80  101  106     28   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    95_A     I    95_A     80  101  106     28   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     T    96_A     T    96_A     80  101  106     36   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    97_A     E    97_A     42  101  106     18   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    98_A     I    98_A     42  101  106     18   79   80   82   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     G    99_A     G    99_A     42  101  106     21   35   80   82   83   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     E   100_A     E   100_A     42  101  106      3    4   10   75   83   90   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     Q   101_A     Q   101_A     42  101  106      3    4   56   82   83   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     Y   102_A     Y   102_A     13  101  106      6   11   13   14   24   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     S   103_A     S   103_A     13  101  106      8   11   13   14   22   55   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     L   104_A     L   104_A     13  101  106      9   11   13   15   80   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     K   105_A     K   105_A     13  101  106      9   11   13   15   78   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     E   106_A     E   106_A     13  101  106      9   11   13   14   43   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     T   107_A     T   107_A     13  101  106      9   11   13   26   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     I   108_A     I   108_A     13  101  106      9   11   19   81   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     Q   109_A     Q   109_A     13  101  106      9   11   13   30   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     D   110_A     D   110_A     13  101  106      9   11   13   30   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     L   111_A     L   111_A     13  101  106      9   11   18   73   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     C   112_A     C   112_A     13  101  106      9   11   13   49   86   91   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     A   113_A     A   113_A     13  101  106      4   11   13   14   37   81   97   99  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     K   114_A     K   114_A     13  101  106      3    4    4   14   15   18   72   97  100  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     D   115_A     D   115_A      4  101  106      3    4    4    5    5   14   24   38   67  101  102  103  104  104  106  106  106  106  106  106 
LCS_GDT     F   116_A     F   116_A      4    5  106      3    4    4    5    5    6    7    8   12   22   23   28   63  104  106  106  106  106  106  106 
LCS_GDT     H   117_A     H   117_A      4    5  106      3    4    4    5    5    6    7    8   13   25   29   79   85  104  106  106  106  106  106  106 
LCS_AVERAGE  LCS_A:  85.02  (  61.60   93.45  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     49     79     80     82     86     91     97     99    100    101    102    103    104    104    106    106    106    106    106    106 
GDT PERCENT_AT  46.23  74.53  75.47  77.36  81.13  85.85  91.51  93.40  94.34  95.28  96.23  97.17  98.11  98.11 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.53   0.54   0.65   1.14   1.32   1.65   1.76   1.92   1.97   2.06   2.22   2.39   2.39   2.77   2.77   2.77   2.77   2.77   2.77
GDT RMS_ALL_AT   3.19   3.14   3.14   3.12   2.92   2.91   2.87   2.86   2.83   2.82   2.82   2.81   2.81   2.81   2.77   2.77   2.77   2.77   2.77   2.77

# Checking swapping
#   possible swapping detected:  D    13_A      D    13_A
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    97_A      E    97_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  E   106_A      E   106_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    12_A      Q    12_A    10.244     0    0.438   1.012    12.357    0.357    0.794
LGA    D    13_A      D    13_A     7.126     0    0.092   1.168     7.817   12.143   13.571
LGA    P    14_A      P    14_A     9.074     0    0.625   0.520    11.998    5.357    3.061
LGA    G    15_A      G    15_A     3.303     0    0.419   0.419     4.919   50.833   50.833
LGA    I    16_A      I    16_A     0.563     0    0.129   0.154     1.550   88.452   88.393
LGA    N    17_A      N    17_A     0.363     0    0.021   1.108     2.685   95.238   85.476
LGA    R    18_A      R    18_A     0.941     0    0.056   0.498     2.257   85.952   82.424
LGA    K    19_A      K    19_A     1.078     0    0.017   0.626     2.615   81.429   78.730
LGA    A    20_A      A    20_A     1.087     0    0.038   0.072     1.208   81.429   81.429
LGA    I    21_A      I    21_A     1.118     0    0.009   0.057     1.256   83.690   82.560
LGA    N    22_A      N    22_A     0.841     0    0.007   0.130     1.584   88.214   86.012
LGA    F    23_A      F    23_A     0.527     0    0.040   0.092     0.912   95.238   93.939
LGA    D    24_A      D    24_A     0.286     0    0.063   0.173     0.739   97.619   96.429
LGA    L    25_A      L    25_A     0.328     0    0.063   0.087     0.612  100.000   96.429
LGA    S    26_A      S    26_A     0.304     0    0.086   0.101     0.648  100.000   96.825
LGA    T    27_A      T    27_A     0.274     0    0.064   0.073     0.659  100.000   98.639
LGA    K    28_A      K    28_A     0.599     0    0.064   1.057     6.071   92.857   73.545
LGA    S    29_A      S    29_A     0.502     0    0.048   0.072     0.938   97.619   95.238
LGA    L    30_A      L    30_A     0.038     0    0.044   0.105     0.547  100.000   98.810
LGA    E    31_A      E    31_A     0.566     0    0.024   0.124     1.368   92.857   87.513
LGA    K    32_A      K    32_A     0.483     0    0.067   0.926     4.891   97.619   74.815
LGA    Y    33_A      Y    33_A     0.269     0    0.054   0.173     0.706  100.000   96.825
LGA    F    34_A      F    34_A     0.412     0    0.018   0.084     1.320  100.000   89.827
LGA    K    35_A      K    35_A     0.452     0    0.036   0.425     1.442   97.619   90.635
LGA    D    36_A      D    36_A     0.946     0    0.020   0.198     1.456   90.476   85.952
LGA    T    37_A      T    37_A     1.003     0    0.020   0.043     1.128   83.690   86.599
LGA    R    38_A      R    38_A     1.063     0    0.017   1.302     4.385   85.952   72.597
LGA    E    39_A      E    39_A     0.872     0    0.016   0.111     1.215   90.476   87.460
LGA    P    40_A      P    40_A     0.778     0    0.016   0.030     0.853   90.476   90.476
LGA    Y    41_A      Y    41_A     0.804     0    0.037   0.219     1.514   90.476   85.992
LGA    S    42_A      S    42_A     0.875     0    0.032   0.653     2.796   90.476   84.921
LGA    L    43_A      L    43_A     0.835     0    0.026   0.169     0.930   90.476   90.476
LGA    I    44_A      I    44_A     0.850     0    0.034   0.075     0.917   90.476   90.476
LGA    K    45_A      K    45_A     0.929     0    0.045   0.103     1.413   90.476   86.455
LGA    K    46_A      K    46_A     0.998     0    0.039   0.556     2.266   83.690   79.630
LGA    F    47_A      F    47_A     0.970     0    0.038   0.059     0.985   90.476   90.476
LGA    M    48_A      M    48_A     0.947     0    0.019   0.765     3.263   88.214   85.476
LGA    L    49_A      L    49_A     1.076     0    0.063   0.407     1.874   81.429   81.488
LGA    E    50_A      E    50_A     1.126     0    0.026   0.149     1.839   81.429   80.476
LGA    N    51_A      N    51_A     0.917     0    0.046   0.093     0.963   90.476   90.476
LGA    G    52_A      G    52_A     0.959     0    0.076   0.076     0.959   90.476   90.476
LGA    F    53_A      F    53_A     0.996     0    0.034   0.074     1.380   85.952   89.740
LGA    E    54_A      E    54_A     1.428     0    0.029   0.666     1.773   83.690   81.534
LGA    H    55_A      H    55_A     0.891     0    0.040   0.259     1.841   85.952   79.810
LGA    R    56_A      R    56_A     0.716     0    0.516   0.942     3.291   81.786   74.199
LGA    Q    57_A      Q    57_A     3.633     0    0.598   1.149     8.602   39.762   24.921
LGA    Y    58_A      Y    58_A     5.042     0    0.239   1.317    12.338   32.976   15.119
LGA    S    59_A      S    59_A     4.076     0    0.591   0.531     5.293   37.500   34.603
LGA    G    60_A      G    60_A     0.907     0    0.163   0.163     1.038   88.214   88.214
LGA    Y    61_A      Y    61_A     1.322     0    0.120   0.180     1.779   79.286   82.222
LGA    T    62_A      T    62_A     0.678     0    0.026   1.120     2.659   90.476   82.041
LGA    S    63_A      S    63_A     0.712     0    0.030   0.093     0.735   90.476   90.476
LGA    K    64_A      K    64_A     0.673     0    0.061   0.857     2.968   90.476   83.069
LGA    E    65_A      E    65_A     0.489     0    0.051   0.198     1.062   92.857   91.587
LGA    P    66_A      P    66_A     0.739     0    0.046   0.043     0.852   90.476   90.476
LGA    I    67_A      I    67_A     0.936     0    0.039   0.129     1.075   90.476   87.083
LGA    N    68_A      N    68_A     0.892     0    0.048   0.138     0.989   90.476   90.476
LGA    E    69_A      E    69_A     0.779     0    0.053   1.007     4.032   90.476   71.111
LGA    R    70_A      R    70_A     0.617     0    0.064   1.332     7.730   92.857   61.082
LGA    R    71_A      R    71_A     0.852     0    0.048   1.388     7.700   90.476   58.615
LGA    V    72_A      V    72_A     0.630     0    0.062   0.112     0.876   95.238   93.197
LGA    I    73_A      I    73_A     0.093     0    0.106   1.528     3.208   97.619   82.798
LGA    R    74_A      R    74_A     0.751     0    0.029   1.462     6.971   92.857   68.312
LGA    I    75_A      I    75_A     0.783     0    0.055   0.088     1.002   90.476   89.345
LGA    I    76_A      I    76_A     0.546     0    0.052   0.090     0.855   90.476   95.238
LGA    N    77_A      N    77_A     0.847     0    0.112   1.297     3.389   88.214   77.024
LGA    K    78_A      K    78_A     1.079     0    0.034   0.657     3.013   81.429   74.180
LGA    L    79_A      L    79_A     0.877     0    0.069   0.096     0.938   90.476   90.476
LGA    T    80_A      T    80_A     0.799     0    0.026   0.137     1.080   90.476   89.184
LGA    K    81_A      K    81_A     1.228     0    0.017   0.326     2.094   81.429   77.672
LGA    K    82_A      K    82_A     1.285     0    0.050   0.582     3.428   79.286   76.984
LGA    F    83_A      F    83_A     1.018     0    0.011   0.221     1.615   85.952   81.558
LGA    T    84_A      T    84_A     1.204     0    0.088   0.094     1.905   81.429   77.755
LGA    W    85_A      W    85_A     0.790     0    0.076   0.132     1.055   92.857   91.190
LGA    L    86_A      L    86_A     0.870     0    0.009   0.300     1.083   90.476   91.726
LGA    G    87_A      G    87_A     0.959     0    0.021   0.021     0.959   90.476   90.476
LGA    E    88_A      E    88_A     0.616     0    0.122   1.008     3.008   90.476   78.519
LGA    C    89_A      C    89_A     0.709     0    0.076   0.097     0.740   90.476   90.476
LGA    V    90_A      V    90_A     0.686     0    0.015   0.160     0.969   90.476   90.476
LGA    K    91_A      K    91_A     0.413     0    0.070   0.495     1.545   97.619   92.804
LGA    E    92_A      E    92_A     0.466     0    0.040   0.629     2.608  100.000   82.434
LGA    F    93_A      F    93_A     0.575     0    0.129   0.138     1.158   92.857   88.874
LGA    D    94_A      D    94_A     1.048     0    0.021   0.066     1.122   83.690   82.560
LGA    I    95_A      I    95_A     1.269     0    0.022   0.635     1.630   81.429   80.357
LGA    T    96_A      T    96_A     1.119     0    0.082   0.285     1.520   85.952   84.082
LGA    E    97_A      E    97_A     1.469     0    0.055   0.790     3.454   81.429   75.079
LGA    I    98_A      I    98_A     1.497     0    0.057   1.450     3.672   77.143   69.345
LGA    G    99_A      G    99_A     2.551     0    0.571   0.571     4.129   56.071   56.071
LGA    E   100_A      E   100_A     3.002     0    0.590   1.005     4.665   47.143   47.249
LGA    Q   101_A      Q   101_A     2.468     0    0.074   0.543    10.563   59.881   32.275
LGA    Y   102_A      Y   102_A     4.162     0    0.649   1.217    12.518   46.071   18.968
LGA    S   103_A      S   103_A     4.200     0    0.017   0.036     4.729   40.238   37.302
LGA    L   104_A      L   104_A     3.093     0    0.040   0.125     3.466   51.786   54.524
LGA    K   105_A      K   105_A     3.256     0    0.028   0.755     6.314   50.000   42.011
LGA    E   106_A      E   106_A     3.906     0    0.088   1.325     9.305   43.333   25.714
LGA    T   107_A      T   107_A     3.072     0    0.020   0.043     3.319   53.571   54.082
LGA    I   108_A      I   108_A     2.458     0    0.025   0.100     2.763   59.048   61.905
LGA    Q   109_A      Q   109_A     3.532     0    0.037   0.354     4.951   45.000   42.063
LGA    D   110_A      D   110_A     3.773     0    0.012   0.163     4.776   43.333   40.298
LGA    L   111_A      L   111_A     3.037     0    0.029   0.049     3.426   50.000   57.440
LGA    C   112_A      C   112_A     3.516     0    0.409   0.438     3.661   48.452   49.048
LGA    A   113_A      A   113_A     5.144     0    0.167   0.183     5.693   27.500   26.286
LGA    K   114_A      K   114_A     6.383     0    0.518   0.900    16.097   22.738   10.688
LGA    D   115_A      D   115_A     6.211     0    0.148   1.273     9.554   15.119   11.071
LGA    F   116_A      F   116_A    10.549     0    0.642   1.456    19.677    1.190    0.433
LGA    H   117_A      H   117_A    11.388     0    0.198   0.833    17.998    0.714    0.286

# 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):     2.768          2.690                  3.694           76.610   71.782

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     99    1.76    86.321    89.156     5.316

LGA_LOCAL      RMSD:   1.762  Number of atoms:   99  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.858  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.768  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.245850 * X  +  -0.915150 * Y  +   0.319464 * Z  +  -5.613863
  Y_new =  -0.904075 * X  +   0.097630 * Y  +  -0.416074 * Z  + -46.593693
  Z_new =   0.349581 * X  +  -0.391111 * Y  +  -0.851367 * Z  +  -2.395264 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.836311 -0.357123 -2.710956   [DEG: -105.2129  -20.4617 -155.3263 ]
ZXZ:  0.654800  2.589382  2.412206   [DEG:   37.5173  148.3606  138.2092 ]
 
# END of job
