
#######################################################
#                                                     #
#                        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  117 (  950),  selected  116 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  116 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   115       3_B - 117_B       4.97     5.07
  LCS_AVERAGE:     98.65

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    62      56_B - 117_B       1.94     5.61
  LCS_AVERAGE:     36.55

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16      14_B - 29_B        0.95     6.28
  LONGEST_CONTINUOUS_SEGMENT:    16      15_B - 30_B        0.96     6.47
  LONGEST_CONTINUOUS_SEGMENT:    16     101_B - 116_B       0.93     5.59
  LCS_AVERAGE:      9.05

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
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     T     2_C     T     2_B      3    4   49      3    3   14   23   30   32   35   56   68   82   95  101  103  104  105  106  109  109  110  112 
LCS_GDT     K     3_C     K     3_B      4   28  115      3    3    5   37   45   59   73   86   97   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     S     4_C     S     4_B      4   28  115      3    3   26   32   40   55   71   85   97   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     K     5_C     K     5_B      4   28  115      4    4   31   43   63   76   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     M     6_C     M     6_B      4   28  115      4    4    6   19   30   46   83   95   97   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     L     7_C     L     7_B     14   28  115      7   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     S     8_C     S     8_B     14   28  115     14   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     N     9_C     N     9_B     14   28  115     12   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     I    10_C     I    10_B     14   28  115     12   31   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     V    11_C     V    11_B     14   28  115     14   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     I    12_C     I    12_B     14   28  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     Q    13_C     Q    13_B     14   28  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     E    14_C     E    14_B     16   28  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     V    15_C     V    15_B     16   28  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     K    16_C     K    16_B     16   28  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     F    17_C     F    17_B     16   28  115     18   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     A    18_C     A    18_B     16   28  115     12   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     I    19_C     I    19_B     16   28  115      7   36   54   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     E    20_C     E    20_B     16   28  115      6   23   44   71   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     D    21_C     D    21_B     16   28  115      4   17   28   52   73   87   95   96   98   99  102  103  104  105  106  107  109  109  110  112 
LCS_GDT     Y    22_C     Y    22_B     16   28  115      4   15   41   53   73   87   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     C    23_C     C    23_B     16   28  115      4   23   45   68   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     A    24_C     A    24_B     16   28  115      7   36   53   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     I    25_C     I    25_B     16   28  115     12   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     L    26_C     L    26_B     16   28  115     17   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     S    27_C     S    27_B     16   28  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     F    28_C     F    28_B     16   28  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     A    29_C     A    29_B     16   28  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     S    30_C     S    30_B     16   28  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     D    31_C     D    31_B      8   28  115      3   13   38   65   80   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     S    32_C     S    32_B      5    9  115      3    5    5   17   20   26   36   45   70   85   92   99  102  104  107  107  109  109  110  112 
LCS_GDT     Y    33_C     Y    33_B      5    9  115      3    5   12   17   20   26   36   62   75   88   95   99  102  104  107  107  109  109  110  112 
LCS_GDT     E    34_C     E    34_B      5    9  115      3    5    6    9   13   23   39   46   57   77   87   94  100  104  107  107  109  109  110  112 
LCS_GDT     V    35_C     V    35_B      5   10  115      3    6   13   25   57   70   82   88   93   97  102  102  104  105  107  107  109  109  110  112 
LCS_GDT     P    36_C     P    36_B      8   13  115     10   29   55   72   80   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     E    37_C     E    37_B      8   13  115     17   35   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     Q    38_C     Q    38_B      8   13  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     Y    39_C     Y    39_B      8   13  115     12   28   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     F    40_C     F    40_B      8   13  115     14   35   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     I    41_C     I    41_B      8   13  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     I    42_C     I    42_B      8   13  115     17   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     T    43_C     T    43_B      8   13  115     12   34   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     R    44_C     R    44_B      8   13  115      8   30   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     S    45_C     S    45_B      7   13  115      3    8   23   51   73   79   85   93   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     T    46_C     T    46_B      6   13  115      3    6   21   39   68   77   84   91   97   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     T    47_C     T    47_B      4   13  115      1    4    7   14   37   64   77   84   88   92   98  101  104  105  107  107  109  109  110  112 
LCS_GDT     E    48_C     E    48_B      3   13  115      3    4    6   10   16   23   40   57   72   82   85   89   94  101  104  106  107  108  110  112 
LCS_GDT     R    49_C     R    49_B      3   13  115      3    3    4    6   11   17   21   30   41   64   78   85   88   92   98  104  107  108  110  112 
LCS_GDT     S    50_C     S    50_B      3    5  115      3    3    4    4    4    6    9   10   12   14   16   29   32   38   44   56   75   90  102  106 
LCS_GDT     G    51_C     G    51_B      4    6  115      3    3    4    5    6    9   11   11   15   16   19   29   32   35   40   51   60   65   72   82 
LCS_GDT     G    52_C     G    52_B      4    6  115      4    4    4    5    6    6    9   11   15   16   17   19   21   24   28   39   43   49   56   64 
LCS_GDT     I    53_C     I    53_B      4    6  115      4    4    4    5    6    6    7   10   15   19   20   24   26   29   34   47   60   65  107  112 
LCS_GDT     P    54_C     P    54_B      4    6  115      4    4    4    5    8    9   11   15   31   54   75   84   91  101  105  106  107  108  110  112 
LCS_GDT     E    55_C     E    55_B      4   10  115      4    7   19   40   68   77   84   92   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     G    56_C     G    56_B      9   62  115     11   30   39   59   80   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     D    57_C     D    57_B      9   62  115     10   30   52   73   81   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     I    58_C     I    58_B      9   62  115     10   30   60   73   82   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     Y    59_C     Y    59_B      9   62  115     10   30   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     L    60_C     L    60_B      9   62  115     12   31   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     E    61_C     E    61_B      9   62  115     19   35   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     S    62_C     S    62_B      9   62  115     19   35   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     N    63_C     N    63_B      9   62  115     19   35   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     L    64_C     L    64_B      9   62  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     F    65_C     F    65_B      4   62  115      4   21   28   60   79   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     L    66_C     L    66_B      4   62  115     12   31   56   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     D    67_C     D    67_B      4   62  115     10   22   46   70   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     F    68_C     F    68_B      4   62  115      3    5   20   49   75   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     N    69_C     N    69_B      4   62  115     11   29   49   70   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     P    70_C     P    70_B      4   62  115      3    8   28   70   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     Y    71_C     Y    71_B      4   62  115      3   27   52   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     G    72_C     G    72_B      6   62  115      4    7   17   49   72   85   94   96   97   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     L    73_C     L    73_B      6   62  115      4   22   45   64   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     S    74_C     S    74_B      6   62  115     10   29   45   71   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     G    75_C     G    75_B      6   62  115     11   36   58   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     Y    76_C     Y    76_B      6   62  115      5   29   54   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     L    77_C     L    77_B      6   62  115      8   29   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     L    78_C     L    78_B      6   62  115     10   35   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     S    79_C     S    79_B      6   62  115      9   35   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     E    80_C     E    80_B      6   62  115     17   35   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     P    81_C     P    81_B      5   62  115      3   12   25   55   78   85   92   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     N    82_C     N    82_B      9   62  115     13   36   59   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     C    83_C     C    83_B      9   62  115     17   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     V    84_C     V    84_B      9   62  115     12   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     D    85_C     D    85_B     13   62  115     12   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     L    86_C     L    86_B     14   62  115     12   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     L    87_C     L    87_B     14   62  115     17   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     I    88_C     I    88_B     14   62  115     12   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     E    89_C     E    89_B     14   62  115      4   26   49   71   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     P    90_C     P    90_B     14   62  115      4   31   49   70   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     N    91_C     N    91_B     14   62  115      8   16   42   59   76   87   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     N    92_C     N    92_B     14   62  115     11   30   49   70   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     Y    93_C     Y    93_B     14   62  115     15   33   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     V    94_C     V    94_B     14   62  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     R    95_C     R    95_B     14   62  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     L    96_C     L    96_B     14   62  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     R    97_C     R    97_B     14   62  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     L    98_C     L    98_B     14   62  115     19   36   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     I    99_C     I    99_B     14   62  115      4   22   49   70   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     E   100_C     E   100_B      8   62  115      4   31   55   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     K   101_C     K   101_B     16   62  115      4   16   34   66   80   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     I   102_C     I   102_B     16   62  115      7   31   57   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     D   103_C     D   103_B     16   62  115     13   31   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     I   104_C     I   104_B     16   62  115     13   31   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     L   105_C     L   105_B     16   62  115     13   30   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     E   106_C     E   106_B     16   62  115     13   30   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     V   107_C     V   107_B     16   62  115     13   31   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     E   108_C     E   108_B     16   62  115     13   32   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     N   109_C     N   109_B     16   62  115     13   32   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     H   110_C     H   110_B     16   62  115     13   32   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     L   111_C     L   111_B     16   62  115     11   32   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     K   112_C     K   112_B     16   62  115     13   32   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     F   113_C     F   113_B     16   62  115     13   32   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     L   114_C     L   114_B     16   62  115     13   32   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     F   115_C     F   115_B     16   62  115     13   33   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     D   116_C     D   116_B     16   62  115     11   33   60   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_GDT     N   117_C     N   117_B     15   62  115      7   30   51   73   83   89   95   96   98   99  102  103  104  105  107  107  109  109  110  112 
LCS_AVERAGE  LCS_A:  48.08  (   9.05   36.55   98.65 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     19     36     60     73     83     89     95     96     98     99    102    103    104    105    107    107    109    109    110    112 
GDT PERCENT_AT  16.38  31.03  51.72  62.93  71.55  76.72  81.90  82.76  84.48  85.34  87.93  88.79  89.66  90.52  92.24  92.24  93.97  93.97  94.83  96.55
GDT RMS_LOCAL    0.32   0.66   1.01   1.21   1.51   1.61   1.87   1.89   2.05   2.07   2.36   2.42   2.53   2.63   3.08   2.96   3.28   3.28   3.66   3.86
GDT RMS_ALL_AT   5.77   5.79   5.42   5.39   5.56   5.51   5.58   5.59   5.49   5.56   5.51   5.47   5.39   5.39   5.38   5.38   5.38   5.38   5.21   5.19

# Checking swapping
#   possible swapping detected:  E    14_C      E    14_B
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  Y    22_C      Y    22_B
#   possible swapping detected:  D    31_C      D    31_B
#   possible swapping detected:  Y    33_C      Y    33_B
#   possible swapping detected:  Y    39_C      Y    39_B
#   possible swapping detected:  F    40_C      F    40_B
#   possible swapping detected:  E    48_C      E    48_B
#   possible swapping detected:  E    55_C      E    55_B
#   possible swapping detected:  F    65_C      F    65_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  Y    93_C      Y    93_B
#   possible swapping detected:  E   106_C      E   106_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B    11.817     0    0.150   0.257    13.165    0.000    0.000
LGA    K     3_C      K     3_B     8.237     0    0.655   0.751    10.172   12.738    7.778
LGA    S     4_C      S     4_B     7.646     0    0.623   0.738    12.203   11.548    7.778
LGA    K     5_C      K     5_B     5.084     0    0.380   0.907     6.728   20.595   40.106
LGA    M     6_C      M     6_B     5.875     0    0.444   0.876    13.882   32.500   16.905
LGA    L     7_C      L     7_B     1.177     0    0.625   1.437     7.413   81.548   51.012
LGA    S     8_C      S     8_B     0.768     0    0.187   0.249     1.426   90.595   87.540
LGA    N     9_C      N     9_B     0.764     0    0.056   0.909     3.564   83.810   71.845
LGA    I    10_C      I    10_B     0.995     0    0.054   0.716     4.431   92.857   80.655
LGA    V    11_C      V    11_B     0.651     0    0.080   0.092     1.408   92.857   87.959
LGA    I    12_C      I    12_B     0.626     0    0.042   0.706     2.700   88.214   84.048
LGA    Q    13_C      Q    13_B     1.358     0    0.043   1.282     4.686   79.286   71.164
LGA    E    14_C      E    14_B     1.320     0    0.033   0.566     1.885   81.429   82.540
LGA    V    15_C      V    15_B     1.228     0    0.040   1.144     3.179   81.429   75.714
LGA    K    16_C      K    16_B     1.114     0    0.025   0.736     3.700   81.429   74.392
LGA    F    17_C      F    17_B     1.250     0    0.111   1.143     6.845   83.690   57.576
LGA    A    18_C      A    18_B     0.606     0    0.033   0.061     0.709   90.476   92.381
LGA    I    19_C      I    19_B     1.188     0    0.050   0.094     1.886   83.690   79.345
LGA    E    20_C      E    20_B     2.199     0    0.131   0.222     5.290   56.190   46.825
LGA    D    21_C      D    21_B     4.317     0    0.329   0.314     7.308   45.119   31.369
LGA    Y    22_C      Y    22_B     3.752     0    0.067   0.122     4.978   46.667   38.929
LGA    C    23_C      C    23_B     2.534     0    0.053   0.137     2.920   65.000   65.000
LGA    A    24_C      A    24_B     1.352     0    0.014   0.021     1.798   79.286   78.000
LGA    I    25_C      I    25_B     0.857     0    0.034   0.452     2.221   90.476   86.131
LGA    L    26_C      L    26_B     0.778     0    0.030   0.115     1.439   90.476   85.952
LGA    S    27_C      S    27_B     0.697     0    0.056   0.599     2.039   90.476   86.190
LGA    F    28_C      F    28_B     1.032     0    0.141   0.161     1.272   83.690   82.251
LGA    A    29_C      A    29_B     1.126     0    0.021   0.022     1.323   81.429   81.429
LGA    S    30_C      S    30_B     1.105     0    0.549   0.822     3.464   69.405   68.175
LGA    D    31_C      D    31_B     3.351     0    0.463   0.998     7.609   32.857   50.893
LGA    S    32_C      S    32_B    10.457     0    0.071   0.547    13.863    1.786    1.190
LGA    Y    33_C      Y    33_B    10.614     0    0.075   1.119    12.542    0.238    0.119
LGA    E    34_C      E    34_B    11.451     0    0.040   0.980    16.534    0.119    0.053
LGA    V    35_C      V    35_B     6.784     0    0.345   1.164     8.678   17.619   14.354
LGA    P    36_C      P    36_B     2.551     0    0.326   0.346     5.085   60.000   51.497
LGA    E    37_C      E    37_B     1.647     0    0.012   0.404     4.644   77.381   63.333
LGA    Q    38_C      Q    38_B     0.549     0    0.018   0.105     2.126   85.952   81.746
LGA    Y    39_C      Y    39_B     1.590     0    0.092   1.311     6.890   75.000   54.484
LGA    F    40_C      F    40_B     1.369     0    0.071   1.241     4.336   83.810   71.039
LGA    I    41_C      I    41_B     0.673     0    0.071   0.445     1.513   90.476   91.845
LGA    I    42_C      I    42_B     0.917     0    0.082   0.148     1.423   90.476   85.952
LGA    T    43_C      T    43_B     1.033     0    0.042   0.234     1.513   79.286   81.497
LGA    R    44_C      R    44_B     1.998     0    0.551   1.186     6.164   56.786   52.900
LGA    S    45_C      S    45_B     5.231     0    0.439   0.798     6.085   28.214   26.746
LGA    T    46_C      T    46_B     6.508     0    0.646   1.422     7.109   14.405   15.578
LGA    T    47_C      T    47_B     9.243     0    0.541   0.536    12.888    1.071    0.680
LGA    E    48_C      E    48_B    14.273     0    0.654   0.569    19.354    0.000    0.000
LGA    R    49_C      R    49_B    15.129     0    0.069   1.143    16.741    0.000    0.000
LGA    S    50_C      S    50_B    18.615     0    0.258   0.255    21.408    0.000    0.000
LGA    G    51_C      G    51_B    22.226     0    0.315   0.315    22.287    0.000    0.000
LGA    G    52_C      G    52_B    23.814     0    0.658   0.658    23.814    0.000    0.000
LGA    I    53_C      I    53_B    18.756     0    0.149   1.121    20.153    0.000    0.000
LGA    P    54_C      P    54_B    13.120     0    0.084   0.316    17.111    0.000    0.000
LGA    E    55_C      E    55_B     6.335     0    0.662   1.200     8.637   26.786   25.503
LGA    G    56_C      G    56_B     2.819     0    0.688   0.688     3.587   53.690   53.690
LGA    D    57_C      D    57_B     2.352     0    0.027   0.238     3.692   66.786   59.405
LGA    I    58_C      I    58_B     2.187     0    0.027   0.976     3.093   64.762   66.012
LGA    Y    59_C      Y    59_B     1.947     0    0.052   0.256     2.899   72.857   67.540
LGA    L    60_C      L    60_B     1.708     0    0.167   1.384     2.806   70.833   70.060
LGA    E    61_C      E    61_B     1.205     0    0.029   0.114     2.054   81.429   77.672
LGA    S    62_C      S    62_B     0.813     0    0.083   0.154     1.179   88.214   88.968
LGA    N    63_C      N    63_B     1.069     0    0.080   1.076     3.636   85.952   77.857
LGA    L    64_C      L    64_B     0.378     0    0.651   0.612     1.813   93.214   91.905
LGA    F    65_C      F    65_B     3.180     0    0.320   0.538     4.945   50.357   40.433
LGA    L    66_C      L    66_B     1.431     0    0.385   1.280     3.415   75.119   74.345
LGA    D    67_C      D    67_B     2.214     0    0.460   1.273     4.976   57.500   56.012
LGA    F    68_C      F    68_B     3.600     0    0.409   1.183     4.237   48.452   51.039
LGA    N    69_C      N    69_B     2.728     0    0.175   0.957     5.881   65.357   49.464
LGA    P    70_C      P    70_B     2.632     0    0.683   0.569     3.964   57.500   55.442
LGA    Y    71_C      Y    71_B     2.301     0    0.586   1.356    11.471   66.786   28.889
LGA    G    72_C      G    72_B     3.985     0    0.460   0.460     3.985   50.119   50.119
LGA    L    73_C      L    73_B     2.579     0    0.030   1.325     4.139   53.571   47.857
LGA    S    74_C      S    74_B     2.529     0    0.072   0.084     2.713   60.952   60.952
LGA    G    75_C      G    75_B     1.547     0    0.175   0.175     1.674   75.000   75.000
LGA    Y    76_C      Y    76_B     1.859     0    0.227   1.118     9.291   63.452   41.151
LGA    L    77_C      L    77_B     1.795     0    0.066   0.185     3.246   79.405   68.333
LGA    L    78_C      L    78_B     1.224     0    0.040   0.891     5.383   81.548   66.726
LGA    S    79_C      S    79_B     0.888     0    0.640   0.588     3.435   80.476   80.794
LGA    E    80_C      E    80_B     1.011     0    0.067   1.009     7.262   59.762   43.757
LGA    P    81_C      P    81_B     3.939     0    0.606   0.856     6.312   42.024   34.694
LGA    N    82_C      N    82_B     1.408     0    0.076   0.813     4.582   81.548   66.310
LGA    C    83_C      C    83_B     1.022     0    0.052   0.751     1.467   81.429   81.429
LGA    V    84_C      V    84_B     1.227     0    0.059   0.077     1.498   83.690   82.721
LGA    D    85_C      D    85_B     0.882     0    0.027   0.160     1.024   90.476   89.345
LGA    L    86_C      L    86_B     0.842     0    0.033   1.330     3.203   92.857   80.238
LGA    L    87_C      L    87_B     0.723     0    0.029   1.363     4.592   86.071   70.357
LGA    I    88_C      I    88_B     1.217     0    0.069   0.366     1.594   83.690   80.417
LGA    E    89_C      E    89_B     2.272     0    0.566   1.178     5.133   59.405   52.011
LGA    P    90_C      P    90_B     2.703     0    0.275   0.306     5.686   52.262   41.905
LGA    N    91_C      N    91_B     4.071     0    0.105   0.738     7.623   39.167   28.036
LGA    N    92_C      N    92_B     2.625     0    0.014   0.786     4.842   67.143   54.702
LGA    Y    93_C      Y    93_B     1.146     0    0.132   0.852     3.813   81.548   72.857
LGA    V    94_C      V    94_B     0.394     0    0.029   0.205     1.184   97.619   94.626
LGA    R    95_C      R    95_B     0.213     0    0.022   1.220     2.756  100.000   84.069
LGA    L    96_C      L    96_B     0.222     0    0.058   0.073     0.722   97.619   94.048
LGA    R    97_C      R    97_B     0.486     0    0.059   0.765     3.607  100.000   72.554
LGA    L    98_C      L    98_B     0.594     0    0.637   0.649     2.334   84.048   86.131
LGA    I    99_C      I    99_B     2.473     0    0.552   1.666     8.061   59.405   44.643
LGA    E   100_C      E   100_B     1.591     0    0.662   1.055     6.214   73.214   45.450
LGA    K   101_C      K   101_B     2.917     0    0.630   0.878    13.267   71.071   36.878
LGA    I   102_C      I   102_B     1.596     0    0.077   0.663     2.266   68.810   70.893
LGA    D   103_C      D   103_B     1.513     0    0.106   0.139     2.169   75.000   73.988
LGA    I   104_C      I   104_B     1.802     0    0.031   0.648     3.190   72.857   67.976
LGA    L   105_C      L   105_B     2.091     0    0.021   0.077     2.478   64.762   64.762
LGA    E   106_C      E   106_B     1.879     0    0.057   0.924     5.230   72.857   62.593
LGA    V   107_C      V   107_B     1.538     0    0.016   0.054     1.688   75.000   77.755
LGA    E   108_C      E   108_B     1.585     0    0.027   0.804     2.754   72.857   72.063
LGA    N   109_C      N   109_B     1.627     0    0.016   0.152     2.282   72.857   71.845
LGA    H   110_C      H   110_B     1.413     0    0.089   1.134     5.624   77.143   59.476
LGA    L   111_C      L   111_B     1.814     0    0.059   0.188     2.632   72.857   68.869
LGA    K   112_C      K   112_B     1.864     0    0.120   0.910     7.873   70.833   50.000
LGA    F   113_C      F   113_B     1.976     0    0.062   0.209     2.727   70.833   64.892
LGA    L   114_C      L   114_B     1.517     0    0.092   0.937     3.001   72.857   70.060
LGA    F   115_C      F   115_B     1.618     0    0.266   1.176     5.107   70.833   59.957
LGA    D   116_C      D   116_B     0.996     0    0.424   0.909     4.221   70.714   69.762
LGA    N   117_C      N   117_B     2.085     0    0.459   1.193     5.347   69.048   58.393

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     942    942  100.00               116
SUMMARY(RMSD_GDC):     5.066          5.045                  5.315           62.816   56.798

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0     96    1.89    67.241    63.962     4.835

LGA_LOCAL      RMSD:   1.886  Number of atoms:   96  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.591  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:   5.066  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.038156 * X  +   0.236136 * Y  +   0.970971 * Z  + -35.814503
  Y_new =  -0.509516 * X  +   0.831280 * Y  +  -0.222186 * Z  + -10.762925
  Z_new =  -0.859615 * X  +  -0.503202 * Y  +   0.088597 * Z  +  20.196609 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.645543  1.034516 -1.396517   [DEG:  -94.2827   59.2734  -80.0145 ]
ZXZ:  1.345841  1.482083 -2.100397   [DEG:   77.1110   84.9171 -120.3439 ]
 
# END of job
