
#######################################################
#                                                     #
#                        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  119 (  870),  selected  113 , name one
# Molecule2: number of CA atoms  113 (  828),  selected  113 , 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:   113       7_A - 119_A       2.34     2.34
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    95      13_A - 107_A       1.99     2.42
  LONGEST_CONTINUOUS_SEGMENT:    95      14_A - 108_A       1.99     2.41
  LONGEST_CONTINUOUS_SEGMENT:    95      15_A - 109_A       2.00     2.42
  LONGEST_CONTINUOUS_SEGMENT:    95      23_A - 117_A       2.00     2.55
  LCS_AVERAGE:     83.62

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    64       7_A - 70_A        0.99     4.89
  LCS_AVERAGE:     52.90

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  113
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     E     7_A     E     7_A     64   86  113     18   41   60   74   81   89   98  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     64   86  113     28   49   68   75   84   95  103  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     64   86  113     21   41   60   73   81   85   94  102  110  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     64   86  113     25   48   62   74   81   89   94  106  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     64   86  113     28   49   63   74   81   92   99  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     64   86  113     28   49   65   75   83   95  103  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     64   95  113     22   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     64   95  113     10   43   58   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     64   95  113      4   45   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     64   95  113      4   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     64   95  113     26   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     64   95  113     26   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     64   95  113     26   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     64   95  113     26   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     64   95  113     17   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     64   95  113      2    4   61   68   79   95  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     64   95  113     17   42   67   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     64   95  113     23   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     64   95  113     20   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     64   95  113     26   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     64   95  113     26   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     64   95  113     26   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     64   95  113     26   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     64   95  113     26   46   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     64   95  113     26   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     64   95  113     26   47   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     64   95  113     26   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     64   95  113     21   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     64   95  113     16   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     64   95  113     16   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     64   95  113     28   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     64   95  113     26   48   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     64   95  113     26   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     64   95  113     26   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     64   95  113     26   49   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     64   95  113     26   48   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     64   95  113     26   45   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     64   95  113     26   45   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     62   95  113     26   45   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     60   95  113     26   44   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     54   95  113     22   45   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     54   95  113     26   45   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     54   95  113     26   45   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     54   95  113     26   45   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     54   95  113     26   45   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     54   95  113     26   45   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     54   95  113     26   45   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     54   95  113     26   45   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     54   95  113     26   45   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     54   95  113     14   45   63   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     54   95  113     20   45   61   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     54   95  113     21   45   61   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     54   95  113     21   45   61   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     54   95  113     21   45   61   74   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     54   95  113     20   42   61   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     54   95  113     12   42   61   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     54   95  113      3   30   61   68   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     54   95  113     21   45   61   68   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     54   95  113     21   45   61   68   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     54   95  113     21   44   60   68   81   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     54   95  113     17   34   54   68   74   84  100  106  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     54   95  113     10   34   55   68   75   85  103  107  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     54   95  113     21   45   61   68   81   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     54   95  113     21   45   61   68   86   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     54   95  113     21   45   61   68   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     54   95  113     21   45   61   70   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     54   95  113     21   42   61   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     54   95  113     15   33   58   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     54   95  113     15   33   43   73   83   94  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     54   95  113     21   43   68   75   86   95  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     54   95  113     26   41   68   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     54   95  113     21   44   61   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     54   95  113     21   45   61   75   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     54   95  113     21   45   61   70   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     54   95  113     21   45   61   68   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     54   95  113     21   45   61   68   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     54   95  113     19   45   61   68   81   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     54   95  113     19   33   54   68   75   92  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     54   95  113     19   38   56   68   75   92  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     54   95  113     21   45   61   68   79   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     54   95  113     21   45   61   68   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     54   95  113     21   45   61   68   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     54   95  113     21   45   61   68   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     54   95  113     21   45   61   68   91   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     54   95  113     21   45   61   68   87   98  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     54   94  113     21   34   54   68   75   91  104  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     53   93  113     17   30   39   56   67   76   80   95  107  113  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  78.84  (  52.90   83.62  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     28     49     68     75     91     98    104    108    111    113    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  24.78  43.36  60.18  66.37  80.53  86.73  92.04  95.58  98.23 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.63   0.99   1.15   1.75   1.93   2.06   2.16   2.26   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34
GDT RMS_ALL_AT   5.67   5.18   3.76   3.48   2.45   2.36   2.37   2.35   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34   2.34

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  E   118_A      E   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     4.147     0    0.111   1.202     4.473   37.143   38.519
LGA    C     8_A      C     8_A     3.267     0    0.067   0.064     3.807   46.667   51.429
LGA    A     9_A      A     9_A     4.950     0    0.081   0.087     5.603   31.548   29.524
LGA    S    10_A      S    10_A     4.673     0    0.016   0.701     4.953   34.286   33.333
LGA    N    11_A      N    11_A     3.921     0    0.004   0.987     4.263   41.786   44.345
LGA    P    12_A      P    12_A     3.471     0    0.049   0.085     3.471   50.000   51.020
LGA    C    13_A      C    13_A     2.355     0    0.014   0.056     2.820   60.952   63.571
LGA    L    14_A      L    14_A     2.449     0    0.016   0.090     3.281   64.762   61.012
LGA    N    15_A      N    15_A     2.218     0    0.022   0.108     2.474   64.762   66.786
LGA    Q    16_A      Q    16_A     2.221     0    0.045   1.189     6.528   64.762   53.598
LGA    G    17_A      G    17_A     2.178     0    0.051   0.051     2.295   64.762   64.762
LGA    T    18_A      T    18_A     1.735     0    0.073   1.130     3.437   75.000   68.571
LGA    C    19_A      C    19_A     1.866     0    0.063   0.103     2.174   72.857   70.159
LGA    I    20_A      I    20_A     1.146     0    0.028   0.484     1.422   81.429   84.821
LGA    D    21_A      D    21_A     1.505     0    0.011   0.797     4.954   79.286   62.738
LGA    D    22_A      D    22_A     1.581     0    0.047   0.800     3.514   72.857   64.345
LGA    V    23_A      V    23_A     2.407     0    0.009   0.055     3.266   64.881   60.544
LGA    A    24_A      A    24_A     1.824     0    0.458   0.463     3.596   63.452   63.714
LGA    G    25_A      G    25_A     1.863     0    0.188   0.188     1.863   77.143   77.143
LGA    Y    26_A      Y    26_A     2.029     0    0.017   0.128     3.822   66.786   58.135
LGA    K    27_A      K    27_A     1.416     0    0.057   0.816     6.225   79.286   59.683
LGA    C    28_A      C    28_A     1.039     0    0.016   0.050     1.425   85.952   84.444
LGA    N    29_A      N    29_A     0.717     0    0.042   1.124     2.387   88.214   82.917
LGA    C    30_A      C    30_A     0.725     0    0.086   0.130     0.945   90.476   90.476
LGA    L    31_A      L    31_A     1.375     0    0.082   0.291     2.047   81.429   78.274
LGA    L    32_A      L    32_A     1.744     0    0.041   0.107     2.882   70.833   67.857
LGA    P    33_A      P    33_A     1.225     0    0.086   0.128     1.849   83.810   81.565
LGA    Y    34_A      Y    34_A     0.639     0    0.015   0.090     1.574   92.857   85.317
LGA    T    35_A      T    35_A     0.833     0    0.060   0.069     0.978   90.476   90.476
LGA    G    36_A      G    36_A     1.214     0    0.021   0.021     1.532   79.286   79.286
LGA    A    37_A      A    37_A     1.815     0    0.053   0.056     2.245   72.857   71.238
LGA    T    38_A      T    38_A     1.802     0    0.036   0.126     2.685   72.857   68.299
LGA    C    39_A      C    39_A     1.232     0    0.029   0.038     1.377   81.429   81.429
LGA    E    40_A      E    40_A     1.639     0    0.051   0.296     2.138   77.143   72.963
LGA    V    41_A      V    41_A     1.002     0    0.062   0.078     1.459   85.952   84.014
LGA    V    42_A      V    42_A     0.455     0    0.042   1.084     2.878   97.619   87.279
LGA    L    43_A      L    43_A     1.015     0    0.029   0.032     1.186   83.690   82.560
LGA    A    44_A      A    44_A     1.192     0    0.023   0.025     1.416   81.429   81.429
LGA    P    45_A      P    45_A     1.655     0    0.031   0.047     1.918   75.000   74.082
LGA    C    46_A      C    46_A     1.980     0    0.037   0.033     2.172   70.833   68.810
LGA    A    47_A      A    47_A     1.592     0    0.638   0.606     2.890   71.071   69.810
LGA    P    48_A      P    48_A     3.720     0    0.115   0.274     5.472   46.429   42.925
LGA    S    49_A      S    49_A     2.475     0    0.080   0.110     2.950   64.762   62.222
LGA    P    50_A      P    50_A     2.404     0    0.035   0.079     2.543   62.857   63.673
LGA    C    51_A      C    51_A     2.526     0    0.126   0.168     3.251   57.262   58.492
LGA    R    52_A      R    52_A     2.300     0    0.020   0.652     2.345   64.762   68.528
LGA    N    53_A      N    53_A     2.269     0    0.012   0.127     2.365   64.762   65.774
LGA    G    54_A      G    54_A     2.364     0    0.054   0.054     2.364   64.762   64.762
LGA    G    55_A      G    55_A     2.061     0    0.014   0.014     2.300   64.762   64.762
LGA    E    56_A      E    56_A     2.302     0    0.017   1.084     6.209   64.762   47.513
LGA    C    57_A      C    57_A     2.258     0    0.022   0.102     2.511   64.762   63.492
LGA    R    58_A      R    58_A     2.137     0    0.044   1.253     5.620   64.762   57.576
LGA    Q    59_A      Q    59_A     1.984     0    0.008   1.058     3.711   66.786   66.878
LGA    S    60_A      S    60_A     2.342     0    0.020   0.027     2.420   64.762   64.762
LGA    E    61_A      E    61_A     2.532     0    0.046   0.978     5.740   60.952   48.571
LGA    D    62_A      D    62_A     2.169     0    0.015   0.190     2.516   66.786   64.821
LGA    Y    63_A      Y    63_A     1.948     0    0.022   0.094     2.214   70.833   69.484
LGA    E    64_A      E    64_A     1.964     0    0.019   0.467     3.086   68.810   65.820
LGA    S    65_A      S    65_A     2.312     0    0.020   0.060     2.721   64.762   62.222
LGA    F    66_A      F    66_A     2.193     0    0.011   0.109     2.367   64.762   64.762
LGA    S    67_A      S    67_A     2.094     0    0.056   0.073     2.442   64.762   64.762
LGA    C    68_A      C    68_A     1.979     0    0.016   0.049     2.209   72.857   71.508
LGA    V    69_A      V    69_A     1.862     0    0.024   0.022     2.001   70.833   71.701
LGA    C    70_A      C    70_A     1.825     0    0.020   0.021     1.843   72.857   72.857
LGA    P    71_A      P    71_A     1.833     0    0.017   0.053     1.857   72.857   72.857
LGA    T    72_A      T    72_A     1.631     0    0.014   0.053     1.865   72.857   74.082
LGA    G    73_A      G    73_A     1.480     0    0.024   0.024     1.630   77.143   77.143
LGA    W    74_A      W    74_A     1.543     0    0.015   0.069     2.466   79.286   70.068
LGA    Q    75_A      Q    75_A     1.393     0    0.030   0.212     1.562   77.143   80.529
LGA    G    76_A      G    76_A     1.734     0    0.027   0.027     1.946   72.857   72.857
LGA    Q    77_A      Q    77_A     1.823     0    0.012   0.777     3.681   72.857   68.730
LGA    T    78_A      T    78_A     2.035     0    0.033   0.049     2.093   70.833   68.231
LGA    C    79_A      C    79_A     1.954     0    0.047   0.041     2.031   68.810   67.460
LGA    E    80_A      E    80_A     2.016     0    0.055   0.954     5.949   68.810   54.127
LGA    V    81_A      V    81_A     1.875     0    0.017   0.029     1.921   72.857   72.857
LGA    D    82_A      D    82_A     2.030     0    0.083   0.111     2.771   68.810   63.929
LGA    I    83_A      I    83_A     1.169     0    0.020   0.039     1.478   83.690   84.821
LGA    N    84_A      N    84_A     1.102     0    0.020   0.053     1.697   85.952   82.619
LGA    E    85_A      E    85_A     0.632     0    0.020   0.072     0.743   90.476   91.534
LGA    C    86_A      C    86_A     1.024     0    0.064   0.072     1.242   88.214   85.952
LGA    V    87_A      V    87_A     1.035     0    0.073   0.085     1.247   83.690   82.721
LGA    L    88_A      L    88_A     1.029     0    0.446   0.335     4.374   79.524   65.179
LGA    S    89_A      S    89_A     1.816     0    0.350   0.725     5.150   75.000   63.889
LGA    P    90_A      P    90_A     1.977     0    0.114   0.180     2.327   68.810   67.075
LGA    C    91_A      C    91_A     2.177     0    0.055   0.066     2.613   60.952   63.571
LGA    R    92_A      R    92_A     3.487     0    0.024   1.382     6.489   48.452   41.905
LGA    H    93_A      H    93_A     4.736     0    0.015   0.034     5.406   32.857   29.905
LGA    G    94_A      G    94_A     4.486     0    0.114   0.114     4.486   37.143   37.143
LGA    A    95_A      A    95_A     3.262     0    0.020   0.022     3.656   48.333   50.095
LGA    S    96_A      S    96_A     2.968     0    0.056   0.078     3.088   55.357   54.762
LGA    C    97_A      C    97_A     1.733     0    0.029   0.083     2.160   68.810   71.587
LGA    Q    98_A      Q    98_A     1.664     0    0.019   0.038     2.486   79.286   73.915
LGA    N    99_A      N    99_A     1.815     0    0.025   0.115     2.963   66.905   65.893
LGA    T   100_A      T   100_A     2.570     0    0.019   0.085     2.835   59.048   60.408
LGA    H   101_A      H   101_A     3.606     0    0.019   0.208     6.103   46.667   33.190
LGA    G   102_A      G   102_A     3.089     0    0.036   0.036     3.089   53.571   53.571
LGA    G   103_A      G   103_A     2.057     0    0.016   0.016     2.355   73.095   73.095
LGA    Y   104_A      Y   104_A     0.873     0    0.029   0.146     2.154   88.214   84.643
LGA    R   105_A      R   105_A     0.448     0    0.020   1.235     5.024   90.595   73.290
LGA    C   106_A      C   106_A     1.277     0    0.049   0.089     1.719   79.405   77.222
LGA    H   107_A      H   107_A     1.993     0    0.076   1.131     3.287   66.905   65.762
LGA    C   108_A      C   108_A     2.404     0    0.031   0.094     2.657   60.952   62.222
LGA    Q   109_A      Q   109_A     3.200     0    0.012   0.642     5.902   51.786   43.492
LGA    A   110_A      A   110_A     3.853     0    0.012   0.013     4.382   41.786   40.857
LGA    G   111_A      G   111_A     3.779     0    0.103   0.103     3.779   43.333   43.333
LGA    Y   112_A      Y   112_A     3.360     0    0.009   0.087     6.119   55.476   38.968
LGA    S   113_A      S   113_A     2.313     0    0.018   0.079     2.774   60.952   60.952
LGA    G   114_A      G   114_A     2.418     0    0.017   0.017     2.418   66.786   66.786
LGA    R   115_A      R   115_A     1.961     0    0.035   0.742     4.879   70.833   63.463
LGA    N   116_A      N   116_A     2.306     0    0.019   0.215     3.012   60.952   61.071
LGA    C   117_A      C   117_A     2.765     0    0.015   0.032     3.515   51.905   54.921
LGA    E   118_A      E   118_A     3.907     0    0.061   0.128     4.666   40.476   42.116
LGA    T   119_A      T   119_A     5.250     0    0.051   0.973     5.674   28.810   27.007

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      113     452    452  100.00     828    828  100.00               113
SUMMARY(RMSD_GDC):     2.337          2.339                  2.613           67.630   64.955

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0    108    2.16    76.327    83.237     4.773

LGA_LOCAL      RMSD:   2.163  Number of atoms:  108  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.346  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.337  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.628903 * X  +  -0.507594 * Y  +   0.588922 * Z  +   6.620024
  Y_new =   0.473542 * X  +  -0.850842 * Y  +  -0.227654 * Z  +  19.356741
  Z_new =   0.616635 * X  +   0.135708 * Y  +   0.775464 * Z  +  26.249712 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.496196 -0.664462  0.173247   [DEG:  143.0215  -38.0708    9.9263 ]
ZXZ:  1.201930  0.683347  1.354172   [DEG:   68.8655   39.1529   77.5883 ]
 
# END of job
