
#######################################################
#                                                     #
#                        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       3.59     3.59
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    57      16_A - 72_A        1.95     4.63
  LCS_AVERAGE:     39.53

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41      16_A - 56_A        0.97     5.07
  LCS_AVERAGE:     23.02

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    5  106      3    3    3    6    8   17   18   22   42   52   78   97   97  101  103  104  105  106  106  106 
LCS_GDT     D    13_A     D    13_A      3   53  106      3    3    4    6   13   15   31   41   86   87   90   99  102  103  103  104  105  106  106  106 
LCS_GDT     P    14_A     P    14_A      3   55  106      3   14   30   59   69   75   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     G    15_A     G    15_A      3   55  106      3    3   14   18   51   60   71   81   88   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     I    16_A     I    16_A     41   57  106      7   44   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     N    17_A     N    17_A     41   57  106     20   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     R    18_A     R    18_A     41   57  106     18   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     K    19_A     K    19_A     41   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     A    20_A     A    20_A     41   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     I    21_A     I    21_A     41   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     N    22_A     N    22_A     41   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     F    23_A     F    23_A     41   57  106     18   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     D    24_A     D    24_A     41   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     L    25_A     L    25_A     41   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     S    26_A     S    26_A     41   57  106     19   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     T    27_A     T    27_A     41   57  106     19   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     K    28_A     K    28_A     41   57  106     10   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     S    29_A     S    29_A     41   57  106     11   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     L    30_A     L    30_A     41   57  106     19   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     E    31_A     E    31_A     41   57  106     20   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     K    32_A     K    32_A     41   57  106     13   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     Y    33_A     Y    33_A     41   57  106      7   21   46   61   71   77   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     F    34_A     F    34_A     41   57  106      3   20   42   61   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     K    35_A     K    35_A     41   57  106      3    4   33   61   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     D    36_A     D    36_A     41   57  106     19   51   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     T    37_A     T    37_A     41   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     R    38_A     R    38_A     41   57  106     14   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     E    39_A     E    39_A     41   57  106     17   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     P    40_A     P    40_A     41   57  106     18   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     Y    41_A     Y    41_A     41   57  106     17   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     S    42_A     S    42_A     41   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     L    43_A     L    43_A     41   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     I    44_A     I    44_A     41   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     K    45_A     K    45_A     41   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     K    46_A     K    46_A     41   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     F    47_A     F    47_A     41   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     M    48_A     M    48_A     41   57  106     23   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     L    49_A     L    49_A     41   57  106     23   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     E    50_A     E    50_A     41   57  106     19   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     N    51_A     N    51_A     41   57  106     18   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     G    52_A     G    52_A     41   57  106     19   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     F    53_A     F    53_A     41   57  106     19   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     E    54_A     E    54_A     41   57  106     23   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     H    55_A     H    55_A     41   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     R    56_A     R    56_A     41   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     Q    57_A     Q    57_A     26   57  106      4   21   54   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     Y    58_A     Y    58_A     26   57  106      3   14   35   50   68   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     S    59_A     S    59_A     26   57  106      3   10   35   49   67   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     G    60_A     G    60_A     26   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     Y    61_A     Y    61_A     26   57  106     20   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     T    62_A     T    62_A     26   57  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     S    63_A     S    63_A      9   57  106      3    9   26   61   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     K    64_A     K    64_A      4   57  106      4    4    4    6   13   48   79   83   89   92   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     E    65_A     E    65_A      4   57  106     13   44   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     P    66_A     P    66_A      4   57  106      4    4    6   17   46   68   78   85   88   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     I    67_A     I    67_A      4   57  106      4    4    4    4    9   24   61   81   88   92   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     N    68_A     N    68_A     17   57  106      4   15   32   62   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     E    69_A     E    69_A     17   57  106     12   15   16   25   30   46   71   80   87   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     R    70_A     R    70_A     17   57  106     12   15   16   18   53   68   81   85   89   92   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     R    71_A     R    71_A     17   57  106     19   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     V    72_A     V    72_A     17   57  106     12   15   37   58   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     I    73_A     I    73_A     17   21  106     12   15   16   20   48   63   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     R    74_A     R    74_A     17   28  106     12   15   29   60   70   76   81   85   89   92   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     I    75_A     I    75_A     17   28  106     12   15   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     I    76_A     I    76_A     17   28  106     12   27   38   61   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     N    77_A     N    77_A     17   28  106     12   15   16   18   53   69   81   85   89   92   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     K    78_A     K    78_A     17   28  106     12   15   17   60   70   74   81   85   89   92   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     L    79_A     L    79_A     17   28  106     12   28   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     T    80_A     T    80_A     17   28  106     12   15   18   63   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     K    81_A     K    81_A     17   28  106     12   15   16   18   33   71   78   85   89   92   95  101  102  103  103  104  105  106  106  106 
LCS_GDT     K    82_A     K    82_A     17   28  106     12   15   36   61   67   75   81   85   89   92   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     F    83_A     F    83_A     19   28  106     11   48   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     T    84_A     T    84_A     19   28  106      4   32   58   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     W    85_A     W    85_A     19   28  106     15   49   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     L    86_A     L    86_A     19   28  106     10   39   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     G    87_A     G    87_A     19   28  106      7   39   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     E    88_A     E    88_A     19   28  106     14   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     C    89_A     C    89_A     19   28  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     V    90_A     V    90_A     19   28  106     18   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     K    91_A     K    91_A     19   28  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     E    92_A     E    92_A     19   28  106     24   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     F    93_A     F    93_A     19   28  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     D    94_A     D    94_A     19   28  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     I    95_A     I    95_A     19   28  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     T    96_A     T    96_A     19   28  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     E    97_A     E    97_A     19   28  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     I    98_A     I    98_A     19   28  106     22   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     G    99_A     G    99_A     19   28  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     E   100_A     E   100_A     19   28  106     14   50   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     Q   101_A     Q   101_A     19   28  106     25   53   59   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     Y   102_A     Y   102_A      7   27  106      4    5   11   29   56   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     S   103_A     S   103_A      8   27  106      4   37   55   65   71   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     L   104_A     L   104_A      8   27  106      3   10   35   49   67   78   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     K   105_A     K   105_A      8   27  106      4   29   37   54   71   77   81   85   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     E   106_A     E   106_A      8   11  106      4    7    8   10   20   29   42   57   86   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     T   107_A     T   107_A      8   11  106      4    7    8    9   10   12   13   61   70   93   96  101  102  103  103  104  105  106  106  106 
LCS_GDT     I   108_A     I   108_A      8   11  106      4   12   32   52   70   78   81   84   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     Q   109_A     Q   109_A      8   11  106      4    7    8   10   24   46   61   82   88   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     D   110_A     D   110_A      8   11  106      4    7    8    9   19   25   35   43   63   73   94   95   99  103  103  104  105  106  106  106 
LCS_GDT     L   111_A     L   111_A      8   11  106      3    5   11   21   43   52   69   81   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     C   112_A     C   112_A      3   11  106      3    3   16   24   37   58   72   82   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     A   113_A     A   113_A      3   11  106      3    3    8   24   38   58   72   82   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     K   114_A     K   114_A      3    6  106      3    7   22   30   55   75   80   82   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     D   115_A     D   115_A      3    6  106      3    3    3    5   34   53   74   82   89   93   97  101  102  103  103  104  105  106  106  106 
LCS_GDT     F   116_A     F   116_A      3    6  106      3    3    3    5   20   27   36   50   58   68   78   85   88   97  103  104  105  106  106  106 
LCS_GDT     H   117_A     H   117_A      3    6  106      3    3    3    5    6    8   31   56   63   73   85   93   94   97   99  102  105  106  106  106 
LCS_AVERAGE  LCS_A:  54.19  (  23.02   39.53  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     25     53     59     65     71     78     81     85     89     93     97    101    102    103    103    104    105    106    106    106 
GDT PERCENT_AT  23.58  50.00  55.66  61.32  66.98  73.58  76.42  80.19  83.96  87.74  91.51  95.28  96.23  97.17  97.17  98.11  99.06 100.00 100.00 100.00
GDT RMS_LOCAL    0.36   0.60   0.73   0.93   1.26   1.54   1.64   1.83   2.04   2.76   2.85   3.05   3.12   3.20   3.20   3.31   3.45   3.59   3.59   3.59
GDT RMS_ALL_AT   4.67   4.73   4.70   4.57   4.59   4.26   4.22   4.54   4.33   3.72   3.67   3.66   3.64   3.65   3.65   3.63   3.60   3.59   3.59   3.59

# Checking swapping
#   possible swapping detected:  D    13_A      D    13_A
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  E    69_A      E    69_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:  D    94_A      D    94_A
#   possible swapping detected:  E    97_A      E    97_A
#   possible swapping detected:  Y   102_A      Y   102_A
#   possible swapping detected:  D   110_A      D   110_A
#   possible swapping detected:  D   115_A      D   115_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     9.805     0    0.105   1.090    14.350    5.595    2.487
LGA    D    13_A      D    13_A     7.244     0    0.233   0.675    13.019   24.643   12.679
LGA    P    14_A      P    14_A     3.679     0    0.686   0.695     7.276   35.833   26.871
LGA    G    15_A      G    15_A     6.208     0    0.613   0.613     6.208   27.976   27.976
LGA    I    16_A      I    16_A     1.451     0    0.176   0.213     3.159   75.833   82.143
LGA    N    17_A      N    17_A     0.759     0    0.025   0.330     1.631   90.476   84.881
LGA    R    18_A      R    18_A     0.900     0    0.049   0.860     6.349   90.476   66.234
LGA    K    19_A      K    19_A     0.745     0    0.046   0.679     3.154   90.476   85.979
LGA    A    20_A      A    20_A     0.637     0    0.072   0.068     0.747   90.476   90.476
LGA    I    21_A      I    21_A     0.586     0    0.023   1.056     2.509   90.476   80.893
LGA    N    22_A      N    22_A     0.710     0    0.021   1.103     4.390   90.476   77.381
LGA    F    23_A      F    23_A     0.983     0    0.038   0.220     1.004   88.214   89.654
LGA    D    24_A      D    24_A     0.644     0    0.037   0.097     0.915   90.476   90.476
LGA    L    25_A      L    25_A     0.573     0    0.032   0.078     1.217   92.857   88.274
LGA    S    26_A      S    26_A     0.773     0    0.052   0.508     1.278   90.476   88.968
LGA    T    27_A      T    27_A     0.932     0    0.037   1.108     2.949   85.952   80.612
LGA    K    28_A      K    28_A     1.281     0    0.030   1.103     6.642   81.429   58.307
LGA    S    29_A      S    29_A     1.016     0    0.024   0.675     2.244   83.690   81.667
LGA    L    30_A      L    30_A     0.717     0    0.049   1.359     3.545   90.476   78.155
LGA    E    31_A      E    31_A     0.666     0    0.175   0.497     2.284   90.476   84.603
LGA    K    32_A      K    32_A     1.024     0    0.104   1.021     8.588   83.690   55.026
LGA    Y    33_A      Y    33_A     2.556     0    0.130   0.238     4.280   61.071   51.548
LGA    F    34_A      F    34_A     2.544     0    0.248   0.969     2.544   62.857   71.602
LGA    K    35_A      K    35_A     2.651     0    0.436   0.495     5.847   57.262   44.603
LGA    D    36_A      D    36_A     0.771     0    0.178   0.974     4.556   88.214   72.738
LGA    T    37_A      T    37_A     1.032     0    0.211   1.155     4.419   81.548   72.721
LGA    R    38_A      R    38_A     1.223     0    0.107   1.871     9.668   83.690   47.576
LGA    E    39_A      E    39_A     1.253     0    0.059   0.327     2.171   81.429   77.672
LGA    P    40_A      P    40_A     1.204     0    0.060   0.149     1.468   83.690   82.721
LGA    Y    41_A      Y    41_A     1.030     0    0.052   0.269     1.622   85.952   81.508
LGA    S    42_A      S    42_A     0.919     0    0.063   0.638     1.206   90.476   87.460
LGA    L    43_A      L    43_A     0.582     0    0.038   0.094     0.811   95.238   92.857
LGA    I    44_A      I    44_A     0.453     0    0.020   1.237     2.700   97.619   83.512
LGA    K    45_A      K    45_A     0.538     0    0.035   0.605     1.340   92.857   89.524
LGA    K    46_A      K    46_A     0.620     0    0.027   0.568     1.394   90.476   88.466
LGA    F    47_A      F    47_A     0.516     0    0.063   1.598     7.001   92.857   62.987
LGA    M    48_A      M    48_A     0.687     0    0.031   0.224     1.072   90.476   90.536
LGA    L    49_A      L    49_A     0.814     0    0.047   0.393     1.192   88.214   87.083
LGA    E    50_A      E    50_A     0.894     0    0.092   0.278     2.253   88.214   83.598
LGA    N    51_A      N    51_A     0.840     0    0.237   0.419     2.615   92.857   83.036
LGA    G    52_A      G    52_A     0.399     0    0.076   0.076     0.570   95.238   95.238
LGA    F    53_A      F    53_A     0.814     0    0.094   0.188     1.480   88.214   88.831
LGA    E    54_A      E    54_A     0.636     0    0.024   0.695     1.778   92.857   89.630
LGA    H    55_A      H    55_A     0.491     0    0.020   1.158     2.694   92.857   85.667
LGA    R    56_A      R    56_A     0.423     0    0.111   1.213     6.957   90.714   65.887
LGA    Q    57_A      Q    57_A     2.429     0    0.603   1.484     6.953   54.762   39.788
LGA    Y    58_A      Y    58_A     3.226     0    0.529   1.184    10.233   51.905   28.016
LGA    S    59_A      S    59_A     3.009     0    0.176   0.766     6.052   52.024   43.730
LGA    G    60_A      G    60_A     0.536     0    0.139   0.139     0.905   90.476   90.476
LGA    Y    61_A      Y    61_A     0.570     0    0.138   0.232     0.787   90.476   90.476
LGA    T    62_A      T    62_A     0.765     0    0.177   1.199     3.097   90.476   82.109
LGA    S    63_A      S    63_A     2.622     0    0.138   0.636     4.106   64.881   57.778
LGA    K    64_A      K    64_A     4.821     0    0.597   1.098    12.746   45.476   22.116
LGA    E    65_A      E    65_A     2.003     0    0.023   0.732     6.503   55.595   43.651
LGA    P    66_A      P    66_A     4.630     0    0.142   0.159     6.240   47.381   37.891
LGA    I    67_A      I    67_A     5.168     0    0.060   1.414    10.761   25.238   13.869
LGA    N    68_A      N    68_A     3.315     0    0.558   1.116     4.681   46.667   48.333
LGA    E    69_A      E    69_A     6.061     0    0.062   1.419     8.481   25.238   16.243
LGA    R    70_A      R    70_A     4.396     0    0.067   0.797    10.399   45.357   23.290
LGA    R    71_A      R    71_A     0.589     0    0.052   1.439     9.979   88.214   50.130
LGA    V    72_A      V    72_A     3.228     0    0.036   0.139     6.240   57.262   42.721
LGA    I    73_A      I    73_A     4.123     0    0.107   0.359     6.854   45.119   32.917
LGA    R    74_A      R    74_A     2.972     0    0.052   1.347    10.842   59.048   33.074
LGA    I    75_A      I    75_A     1.792     0    0.023   1.624     5.740   79.405   65.952
LGA    I    76_A      I    76_A     2.730     0    0.045   1.170     4.794   64.881   51.190
LGA    N    77_A      N    77_A     3.961     0    0.087   0.996     7.043   48.452   35.357
LGA    K    78_A      K    78_A     3.581     0    0.036   0.929     8.259   51.905   31.217
LGA    L    79_A      L    79_A     1.725     0    0.042   1.432     7.686   81.548   55.357
LGA    T    80_A      T    80_A     2.411     0    0.072   1.144     5.896   63.333   52.585
LGA    K    81_A      K    81_A     4.562     0    0.046   0.867    10.423   36.190   22.222
LGA    K    82_A      K    82_A     3.780     0    0.044   0.130     7.983   46.667   34.233
LGA    F    83_A      F    83_A     1.313     0    0.164   0.294     3.456   77.262   68.225
LGA    T    84_A      T    84_A     2.194     0    0.208   1.210     5.448   66.786   57.211
LGA    W    85_A      W    85_A     1.913     0    0.175   0.287     1.913   75.000   75.918
LGA    L    86_A      L    86_A     1.951     0    0.048   0.326     2.261   72.857   73.988
LGA    G    87_A      G    87_A     1.863     0    0.058   0.058     1.892   72.857   72.857
LGA    E    88_A      E    88_A     0.908     0    0.023   1.070     3.214   88.214   78.201
LGA    C    89_A      C    89_A     0.934     0    0.151   0.727     3.428   90.595   82.302
LGA    V    90_A      V    90_A     1.022     0    0.025   1.143     4.001   85.952   75.306
LGA    K    91_A      K    91_A     0.390     0    0.078   0.874     2.419   90.595   86.772
LGA    E    92_A      E    92_A     0.690     0    0.033   0.940     2.336   92.857   84.709
LGA    F    93_A      F    93_A     0.647     0    0.117   0.231     0.895   92.857   92.208
LGA    D    94_A      D    94_A     0.697     0    0.062   0.660     2.297   90.476   87.262
LGA    I    95_A      I    95_A     0.519     0    0.091   0.619     1.678   92.857   88.333
LGA    T    96_A      T    96_A     0.730     0    0.114   1.003     2.548   88.214   80.748
LGA    E    97_A      E    97_A     0.753     0    0.066   1.057     3.993   90.476   80.317
LGA    I    98_A      I    98_A     0.915     0    0.036   1.130     2.274   92.857   80.893
LGA    G    99_A      G    99_A     0.800     0    0.043   0.043     1.073   88.214   88.214
LGA    E   100_A      E   100_A     1.291     0    0.080   1.161     8.541   79.286   51.429
LGA    Q   101_A      Q   101_A     0.666     0    0.175   1.488     7.375   72.262   49.630
LGA    Y   102_A      Y   102_A     3.787     0    0.033   1.282    13.991   57.500   22.540
LGA    S   103_A      S   103_A     2.451     0    0.153   0.221     5.397   47.738   46.270
LGA    L   104_A      L   104_A     3.092     0    0.236   1.394     7.828   53.810   37.143
LGA    K   105_A      K   105_A     4.730     0    0.101   0.935    11.474   29.762   15.661
LGA    E   106_A      E   106_A    10.082     0    0.083   0.839    15.511    1.905    0.847
LGA    T   107_A      T   107_A     9.636     0    0.047   0.124    11.186    2.143    1.293
LGA    I   108_A      I   108_A     5.168     0    0.029   1.368     6.885   17.500   41.488
LGA    Q   109_A      Q   109_A     9.682     0    0.034   1.127    14.568    1.905    0.847
LGA    D   110_A      D   110_A    13.430     0    0.573   1.291    18.698    0.000    0.000
LGA    L   111_A      L   111_A    10.986     0    0.618   0.611    11.504    0.000    1.012
LGA    C   112_A      C   112_A    12.587     0    0.461   0.883    13.470    0.000    0.000
LGA    A   113_A      A   113_A    12.840     0    0.676   0.606    14.830    0.000    0.000
LGA    K   114_A      K   114_A    11.257     0    0.534   1.122    16.395    0.000    0.000
LGA    D   115_A      D   115_A    13.033     0    0.560   1.149    15.561    0.000    0.000
LGA    F   116_A      F   116_A    13.956     0    0.063   1.431    20.904    0.000    0.000
LGA    H   117_A      H   117_A    11.673     0    0.486   1.028    14.709    0.000    0.000

# 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):     3.591          3.455                  4.880           65.812   57.331

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     85    1.83    72.406    66.624     4.410

LGA_LOCAL      RMSD:   1.827  Number of atoms:   85  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.545  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   3.591  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.641982 * X  +  -0.763681 * Y  +  -0.068199 * Z  + -19.246861
  Y_new =  -0.570515 * X  +  -0.535228 * Y  +   0.622932 * Z  + -25.842079
  Z_new =  -0.512223 * X  +  -0.361003 * Y  +  -0.779297 * Z  +  51.711826 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.726524  0.537771 -2.707782   [DEG:  -41.6268   30.8120 -155.1445 ]
ZXZ: -3.032547  2.464340 -2.184721   [DEG: -173.7521  141.1963 -125.1753 ]
 
# END of job
