
#######################################################
#                                                     #
#                        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  126 ( 1029),  selected  126 , name one
# Molecule2: number of CA atoms  447 ( 3606),  selected  126 , 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:   126      13_A - 138_A       2.48     2.48
  LCS_AVERAGE:     28.19

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      14_A - 136_A       2.00     2.51
  LCS_AVERAGE:     27.09

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29      87_A - 115_A       0.98     2.66
  LCS_AVERAGE:      4.54

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
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    13_A     Q    13_A      3  106  126      0    3    3    3    3    7   57   74   89  109  117  121  123  125  125  125  125  126  126  126 
LCS_GDT     V    14_A     V    14_A     28  123  126     14   70   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     S    15_A     S    15_A     28  123  126     12   71   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     S    16_A     S    16_A     28  123  126     12   69   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     L    17_A     L    17_A     28  123  126     18   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     V    18_A     V    18_A     28  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     L    19_A     L    19_A     28  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     H    20_A     H    20_A     28  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     I    21_A     I    21_A     28  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     E    22_A     E    22_A     28  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     E    23_A     E    23_A     28  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     A    24_A     A    24_A     28  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     H    25_A     H    25_A     28  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     K    26_A     K    26_A     28  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     L    27_A     L    27_A     28  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     P    28_A     P    28_A     28  123  126     41   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     V    29_A     V    29_A     28  123  126     11   71   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     K    30_A     K    30_A     28  123  126      6   46   87   97  102  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     H    31_A     H    31_A     28  123  126     44   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     F    32_A     F    32_A     28  123  126     27   70   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     T    33_A     T    33_A     28  123  126     23   67   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     N    34_A     N    34_A     28  123  126     28   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     P    35_A     P    35_A     28  123  126     40   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     Y    36_A     Y    36_A     28  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     C    37_A     C    37_A     28  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     N    38_A     N    38_A     28  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     I    39_A     I    39_A     28  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     Y    40_A     Y    40_A     28  123  126     35   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     L    41_A     L    41_A     28  123  126     36   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     N    42_A     N    42_A     11  123  126      3    7   39   86  101  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     S    43_A     S    43_A      9  123  126      3    5   10   28   51  100  109  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     V    44_A     V    44_A      4  123  126      3    4    9   28   77  103  111  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     Q    45_A     Q    45_A      4  123  126      3    4    4    7   26   33  101  111  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     V    46_A     V    46_A     20  123  126     18   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     A    47_A     A    47_A     20  123  126     41   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     K    48_A     K    48_A     20  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     T    49_A     T    49_A     20  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     H    50_A     H    50_A     20  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     A    51_A     A    51_A     20  123  126     34   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     R    52_A     R    52_A     20  123  126      3    7   13   87  102  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     E    53_A     E    53_A     20  123  126      3   14   61   89  102  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     G    54_A     G    54_A     20  123  126     27   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     Q    55_A     Q    55_A     20  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     N    56_A     N    56_A     20  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     P    57_A     P    57_A     20  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     V    58_A     V    58_A     20  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     W    59_A     W    59_A     20  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     S    60_A     S    60_A     20  123  126     42   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     E    61_A     E    61_A     20  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     E    62_A     E    62_A     20  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     F    63_A     F    63_A     20  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     V    64_A     V    64_A     20  123  126     23   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     F    65_A     F    65_A     20  123  126      7   43   89   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     D    66_A     D    66_A     13  123  126      4    9   67   92  103  108  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     D    67_A     D    67_A      8  123  126      4    8    9   24   47   99  110  114  117  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     L    68_A     L    68_A      5  123  126      3   29   63   92  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     P    69_A     P    69_A      5  123  126     12   37   80   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     P    70_A     P    70_A      5  123  126      3    8   31   44   93  107  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     D    71_A     D    71_A      4  123  126     32   69   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     I    72_A     I    72_A      4  123  126      3    5   41   77   96  107  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     N    73_A     N    73_A      7  123  126      3    5   19   53   97  108  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     R    74_A     R    74_A     10  123  126      8   24   73   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     F    75_A     F    75_A     10  123  126     18   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     E    76_A     E    76_A     10  123  126     23   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     I    77_A     I    77_A     10  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     T    78_A     T    78_A     10  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     L    79_A     L    79_A     10  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     S    80_A     S    80_A     10  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     N    81_A     N    81_A     10  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     K    82_A     K    82_A     10  123  126     46   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     T    83_A     T    83_A     10  123  126     28   71   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     K    84_A     K    84_A     10  123  126      3   26   60   95  101  108  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     K    85_A     K    85_A      9  123  126      5    7   27   58   88  104  111  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     S    86_A     S    86_A     24  123  126     14   58   90   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     K    87_A     K    87_A     29  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     D    88_A     D    88_A     29  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     P    89_A     P    89_A     29  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     D    90_A     D    90_A     29  123  126     16   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     I    91_A     I    91_A     29  123  126     21   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     L    92_A     L    92_A     29  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     F    93_A     F    93_A     29  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     M    94_A     M    94_A     29  123  126     44   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     R    95_A     R    95_A     29  123  126     20   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     C    96_A     C    96_A     29  123  126     15   65   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     Q    97_A     Q    97_A     29  123  126     15   65   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     L    98_A     L    98_A     29  123  126     13   62   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     S    99_A     S    99_A     29  123  126     23   72   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     R   100_A     R   100_A     29  123  126     17   69   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     L   101_A     L   101_A     29  123  126     24   72   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     Q   102_A     Q   102_A     29  123  126     12   50   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     K   103_A     K   103_A     29  123  126     15   70   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     G   104_A     G   104_A     29  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     H   105_A     H   105_A     29  123  126     20   71   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     A   106_A     A   106_A     29  123  126     20   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     T   107_A     T   107_A     29  123  126     31   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     D   108_A     D   108_A     29  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     E   109_A     E   109_A     29  123  126     46   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     W   110_A     W   110_A     29  123  126     46   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     F   111_A     F   111_A     29  123  126     46   71   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     L   112_A     L   112_A     29  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     L   113_A     L   113_A     29  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     S   114_A     S   114_A     29  123  126     46   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     S   115_A     S   115_A     29  123  126     16   43   85   96  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     H   116_A     H   116_A     28  123  126     13   43   84   96  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     I   117_A     I   117_A     21  123  126      3   30   77   95  101  108  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     P   118_A     P   118_A     10  123  126      3   48   82   96  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     L   119_A     L   119_A      4  123  126      3    6   18   27   43   58   98  110  114  119  121  123  123  125  125  125  125  126  126  126 
LCS_GDT     K   120_A     K   120_A      3  123  126      3    3    4    9   30   32  100  110  114  119  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     G   121_A     G   121_A     15  123  126      6   41   79   96  101  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     I   122_A     I   122_A     15  123  126     12   49   86   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     E   123_A     E   123_A     15  123  126     17   69   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     P   124_A     P   124_A     15  123  126      8   71   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     G   125_A     G   125_A     15  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     S   126_A     S   126_A     15  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     L   127_A     L   127_A     15  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     R   128_A     R   128_A     15  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     V   129_A     V   129_A     15  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     R   130_A     R   130_A     15  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     A   131_A     A   131_A     15  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     R   132_A     R   132_A     15  123  126     47   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     Y   133_A     Y   133_A     15  123  126     36   73   91   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     S   134_A     S   134_A     15  123  126      8   65   89   97  103  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     M   135_A     M   135_A     15  123  126      5   28   61   92  100  109  113  115  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     E   136_A     E   136_A      8  123  126      6   10   15   41   77  103  109  114  118  120  122  123  123  125  125  125  125  126  126  126 
LCS_GDT     K   137_A     K   137_A      3   17  126      3    4    4    5   28   53   67   90  107  111  117  121  122  125  125  125  125  126  126  126 
LCS_GDT     I   138_A     I   138_A      3    3  126      3    4    4    4    4    5    5    5    6   12   18   30   36   54  116  118  124  126  126  126 
LCS_AVERAGE  LCS_A:  19.94  (   4.54   27.09   28.19 )

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     47     73     91     97    103    109    113    115    118    120    122    123    123    125    125    125    125    126    126    126 
GDT PERCENT_AT  10.51  16.33  20.36  21.70  23.04  24.38  25.28  25.73  26.40  26.85  27.29  27.52  27.52  27.96  27.96  27.96  27.96  28.19  28.19  28.19
GDT RMS_LOCAL    0.33   0.57   0.79   0.91   1.10   1.29   1.41   1.50   1.69   1.80   1.92   2.00   2.00   2.27   2.27   2.27   2.27   2.48   2.48   2.48
GDT RMS_ALL_AT   2.65   2.61   2.55   2.53   2.56   2.51   2.52   2.54   2.53   2.52   2.52   2.51   2.51   2.48   2.48   2.48   2.48   2.48   2.48   2.48

# Checking swapping
#   possible swapping detected:  Y    40_A      Y    40_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  D    67_A      D    67_A
#   possible swapping detected:  D    71_A      D    71_A
#   possible swapping detected:  E   109_A      E   109_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  Y   133_A      Y   133_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    13_A      Q    13_A     8.282     0    0.229   1.210    11.308   10.952    4.921
LGA    V    14_A      V    14_A     1.032     0    0.591   0.574     4.203   76.429   67.483
LGA    S    15_A      S    15_A     1.392     0    0.023   0.674     2.037   81.429   80.159
LGA    S    16_A      S    16_A     1.087     0    0.046   0.570     3.565   81.429   75.079
LGA    L    17_A      L    17_A     0.981     0    0.062   1.389     3.127   85.952   76.726
LGA    V    18_A      V    18_A     0.713     0    0.029   0.038     0.840   90.476   90.476
LGA    L    19_A      L    19_A     0.892     0    0.048   1.314     4.233   90.476   74.345
LGA    H    20_A      H    20_A     0.603     0    0.060   1.330     6.378   95.238   67.381
LGA    I    21_A      I    21_A     0.425     0    0.018   0.198     1.309   97.619   95.298
LGA    E    22_A      E    22_A     0.345     0    0.096   0.572     2.813  100.000   82.434
LGA    E    23_A      E    23_A     0.237     0    0.039   0.223     1.802   97.619   88.730
LGA    A    24_A      A    24_A     0.063     0    0.065   0.101     0.677   97.619   98.095
LGA    H    25_A      H    25_A     0.482     0    0.064   0.148     1.234  100.000   91.571
LGA    K    26_A      K    26_A     0.178     0    0.055   0.854     5.353  100.000   82.275
LGA    L    27_A      L    27_A     0.211     0    0.036   0.089     0.658  100.000   96.429
LGA    P    28_A      P    28_A     0.770     0    0.037   0.276     1.238   90.595   91.973
LGA    V    29_A      V    29_A     1.290     0    0.102   0.986     3.676   75.119   70.000
LGA    K    30_A      K    30_A     2.341     0    0.156   0.826     3.911   68.810   60.847
LGA    H    31_A      H    31_A     0.475     0    0.085   1.162     2.678   90.595   82.762
LGA    F    32_A      F    32_A     1.150     0    0.221   0.860     3.231   81.548   72.727
LGA    T    33_A      T    33_A     1.457     0    0.168   0.263     2.064   75.119   74.150
LGA    N    34_A      N    34_A     1.052     0    0.056   1.338     3.758   85.952   71.012
LGA    P    35_A      P    35_A     0.737     0    0.073   0.097     0.960   90.476   90.476
LGA    Y    36_A      Y    36_A     0.540     0    0.003   0.124     1.310   90.476   87.460
LGA    C    37_A      C    37_A     0.674     0    0.055   0.790     2.621   90.476   84.921
LGA    N    38_A      N    38_A     0.883     0    0.027   0.583     1.553   90.476   86.071
LGA    I    39_A      I    39_A     0.771     0    0.026   0.315     2.721   90.476   82.917
LGA    Y    40_A      Y    40_A     0.313     0    0.024   0.137     2.464   97.619   83.333
LGA    L    41_A      L    41_A     0.146     0    0.140   1.444     4.679   86.548   74.583
LGA    N    42_A      N    42_A     3.709     0    0.234   0.751     6.005   41.429   34.226
LGA    S    43_A      S    43_A     5.550     0    0.282   0.604     9.016   25.119   19.206
LGA    V    44_A      V    44_A     5.151     0    0.629   0.970     5.644   25.000   26.395
LGA    Q    45_A      Q    45_A     5.333     0    0.109   0.625    12.782   39.524   18.730
LGA    V    46_A      V    46_A     0.845     0    0.694   1.429     4.910   86.071   67.007
LGA    A    47_A      A    47_A     0.221     0    0.015   0.023     0.832   97.619   96.190
LGA    K    48_A      K    48_A     0.509     0    0.037   0.889     4.012   92.857   82.963
LGA    T    49_A      T    49_A     0.395     0    0.020   0.100     0.717   97.619   97.279
LGA    H    50_A      H    50_A     0.351     0    0.107   0.214     1.127   97.619   92.476
LGA    A    51_A      A    51_A     0.572     0    0.166   0.233     0.825   90.476   90.476
LGA    R    52_A      R    52_A     2.781     0    0.356   1.516    12.910   68.929   27.922
LGA    E    53_A      E    53_A     2.976     0    0.267   0.640     8.279   55.476   32.963
LGA    G    54_A      G    54_A     0.693     0    0.185   0.185     0.744   95.238   95.238
LGA    Q    55_A      Q    55_A     0.220     0    0.046   1.063     4.665  100.000   79.788
LGA    N    56_A      N    56_A     0.258     0    0.056   0.450     1.238   97.619   91.786
LGA    P    57_A      P    57_A     0.398     0    0.098   0.163     0.709   97.619   98.639
LGA    V    58_A      V    58_A     0.299     0    0.040   0.077     0.624  100.000   98.639
LGA    W    59_A      W    59_A     0.310     0    0.043   0.100     0.415  100.000  100.000
LGA    S    60_A      S    60_A     0.743     0    0.048   0.168     1.219   90.476   88.968
LGA    E    61_A      E    61_A     0.672     0    0.027   0.116     0.716   90.476   93.651
LGA    E    62_A      E    62_A     0.856     0    0.041   0.614     3.967   90.476   71.534
LGA    F    63_A      F    63_A     0.858     0    0.073   0.086     1.111   88.214   89.654
LGA    V    64_A      V    64_A     0.677     0    0.036   0.065     0.952   90.476   90.476
LGA    F    65_A      F    65_A     1.599     0    0.038   0.261     2.062   72.976   75.238
LGA    D    66_A      D    66_A     2.789     0    0.098   0.651     4.007   50.595   48.631
LGA    D    67_A      D    67_A     5.021     0    0.220   1.120    10.363   42.619   23.274
LGA    L    68_A      L    68_A     2.825     0    0.071   0.109     8.426   50.357   34.405
LGA    P    69_A      P    69_A     2.420     0    0.056   0.296     5.269   49.762   49.048
LGA    P    70_A      P    70_A     4.342     0    0.673   0.618     6.653   40.714   30.680
LGA    D    71_A      D    71_A     1.999     0    0.322   1.021     8.163   70.238   42.976
LGA    I    72_A      I    72_A     3.804     0    0.561   1.324     8.387   47.381   28.869
LGA    N    73_A      N    73_A     3.705     0    0.617   1.212     6.319   52.024   37.381
LGA    R    74_A      R    74_A     2.579     0    0.080   1.053     4.977   61.190   57.013
LGA    F    75_A      F    75_A     0.919     0    0.116   1.027     4.285   86.071   70.476
LGA    E    76_A      E    76_A     0.589     0    0.066   0.778     3.307   95.238   77.831
LGA    I    77_A      I    77_A     0.870     0    0.049   0.587     1.829   90.476   82.738
LGA    T    78_A      T    78_A     0.829     0    0.016   0.243     1.097   90.476   87.891
LGA    L    79_A      L    79_A     0.632     0    0.020   0.991     2.395   90.476   84.048
LGA    S    80_A      S    80_A     0.701     0    0.166   0.825     1.294   88.214   85.952
LGA    N    81_A      N    81_A     0.687     0    0.028   0.722     2.354   88.214   83.869
LGA    K    82_A      K    82_A     1.007     0    0.022   0.316     2.444   83.690   78.677
LGA    T    83_A      T    83_A     1.591     0    0.183   0.942     3.020   75.000   69.660
LGA    K    84_A      K    84_A     3.265     0    0.027   1.003     7.805   45.833   35.397
LGA    K    85_A      K    85_A     4.876     0    0.088   0.369    10.456   34.524   20.688
LGA    S    86_A      S    86_A     2.027     0    0.105   0.170     2.780   67.024   66.270
LGA    K    87_A      K    87_A     0.546     0    0.042   0.773     2.813   95.238   82.169
LGA    D    88_A      D    88_A     0.646     0    0.034   0.081     1.447   92.857   87.143
LGA    P    89_A      P    89_A     0.374     0    0.066   0.250     0.787   95.238   97.279
LGA    D    90_A      D    90_A     1.070     0    0.106   0.345     2.576   83.690   78.452
LGA    I    91_A      I    91_A     0.927     0    0.089   0.944     2.796   85.952   78.631
LGA    L    92_A      L    92_A     0.746     0    0.034   0.132     1.221   90.476   87.083
LGA    F    93_A      F    93_A     0.599     0    0.033   0.221     1.669   90.476   85.628
LGA    M    94_A      M    94_A     0.468     0    0.059   0.829     2.866   97.619   88.750
LGA    R    95_A      R    95_A     0.711     0    0.077   1.491     7.183   85.952   59.740
LGA    C    96_A      C    96_A     1.315     0    0.115   0.819     2.107   77.381   75.952
LGA    Q    97_A      Q    97_A     1.351     0    0.043   0.191     1.658   81.429   78.571
LGA    L    98_A      L    98_A     1.421     0    0.084   0.221     2.226   81.429   76.131
LGA    S    99_A      S    99_A     0.755     0    0.068   0.098     1.106   90.476   88.968
LGA    R   100_A      R   100_A     1.037     0    0.031   1.357     8.129   88.214   58.874
LGA    L   101_A      L   101_A     0.604     0    0.106   0.173     1.181   85.952   90.595
LGA    Q   102_A      Q   102_A     1.609     0    0.111   1.068     6.084   81.548   60.582
LGA    K   103_A      K   103_A     1.001     0    0.036   1.031     5.975   90.714   66.984
LGA    G   104_A      G   104_A     1.037     0    0.082   0.082     1.948   81.548   81.548
LGA    H   105_A      H   105_A     1.103     0    0.098   0.936     3.359   88.214   69.048
LGA    A   106_A      A   106_A     1.030     0    0.016   0.018     1.426   83.690   83.238
LGA    T   107_A      T   107_A     0.700     0    0.170   0.965     2.448   88.214   81.837
LGA    D   108_A      D   108_A     0.717     0    0.078   0.272     1.265   90.476   89.345
LGA    E   109_A      E   109_A     1.334     0    0.046   0.520     2.714   81.429   74.021
LGA    W   110_A      W   110_A     1.288     0    0.065   0.187     1.439   81.429   86.667
LGA    F   111_A      F   111_A     1.396     0    0.059   0.106     2.061   81.429   76.797
LGA    L   112_A      L   112_A     1.071     0    0.021   0.353     1.211   81.429   83.690
LGA    L   113_A      L   113_A     0.978     0    0.088   0.194     1.339   83.690   85.952
LGA    S   114_A      S   114_A     1.124     0    0.130   0.228     1.249   85.952   87.460
LGA    S   115_A      S   115_A     2.274     0    0.011   0.696     2.520   64.762   63.492
LGA    H   116_A      H   116_A     2.447     0    0.069   1.174     3.100   60.952   61.810
LGA    I   117_A      I   117_A     3.036     0    0.134   1.480     6.924   57.262   48.571
LGA    P   118_A      P   118_A     2.691     0    0.077   0.159     4.594   49.643   58.571
LGA    L   119_A      L   119_A     6.766     0    0.108   0.240    11.954   16.667    9.643
LGA    K   120_A      K   120_A     5.799     0    0.132   0.235    17.069   26.429   12.328
LGA    G   121_A      G   121_A     3.124     0    0.040   0.040     3.269   51.786   51.786
LGA    I   122_A      I   122_A     2.214     0    0.029   0.602     2.970   66.905   67.976
LGA    E   123_A      E   123_A     1.223     0    0.031   0.365     1.607   81.548   82.540
LGA    P   124_A      P   124_A     1.160     0    0.131   0.143     1.478   83.690   82.721
LGA    G   125_A      G   125_A     0.670     0    0.072   0.072     0.755   90.476   90.476
LGA    S   126_A      S   126_A     0.810     0    0.016   0.097     0.958   90.476   90.476
LGA    L   127_A      L   127_A     0.792     0    0.036   0.326     1.573   88.214   87.143
LGA    R   128_A      R   128_A     0.876     0    0.025   0.642     1.691   90.476   88.095
LGA    V   129_A      V   129_A     0.930     0    0.051   0.959     2.706   88.214   79.660
LGA    R   130_A      R   130_A     0.736     0    0.082   1.356     6.467   88.214   71.991
LGA    A   131_A      A   131_A     0.710     0    0.018   0.023     0.780   90.476   90.476
LGA    R   132_A      R   132_A     0.778     0    0.035   1.229     4.623   90.476   77.879
LGA    Y   133_A      Y   133_A     0.935     0    0.088   0.628     3.354   79.643   72.103
LGA    S   134_A      S   134_A     1.981     0    0.042   0.685     3.043   70.952   66.429
LGA    M   135_A      M   135_A     3.600     0    0.233   1.149     6.231   37.262   36.548
LGA    E   136_A      E   136_A     5.081     0    0.017   0.587     6.400   24.405   29.048
LGA    K   137_A      K   137_A    10.045     0    0.556   0.529    16.027    1.190    0.529
LGA    I   138_A      I   138_A    11.982     0    0.207   0.796    15.618    0.000    0.238

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1029   1029  100.00               447
SUMMARY(RMSD_GDC):     2.479          2.511                  3.388           21.819   19.914

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  126  447    4.0    115    1.50    22.931    24.827     7.178

LGA_LOCAL      RMSD:   1.502  Number of atoms:  115  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.539  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   2.479  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.185719 * X  +   0.964190 * Y  +   0.189333 * Z  +  -5.315928
  Y_new =   0.421063 * X  +  -0.096005 * Y  +   0.901936 * Z  + -33.209751
  Z_new =   0.887815 * X  +   0.247228 * Y  +  -0.388154 * Z  +  64.901230 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.986202 -1.092574  2.574459   [DEG:  113.8010  -62.5999  147.5056 ]
ZXZ:  2.934679  1.969424  1.299209   [DEG:  168.1447  112.8397   74.4392 ]
 
# END of job
