
#######################################################
#                                                     #
#                        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  132 ( 1072),  selected  123 , name one
# Molecule2: number of CA atoms  123 (  980),  selected  123 , 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:   123      10_A - 132_A       3.24     3.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   119      14_A - 132_A       1.81     3.37
  LCS_AVERAGE:     93.75

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    51      48_A - 98_A        0.98     3.57
  LONGEST_CONTINUOUS_SEGMENT:    51      49_A - 99_A        0.95     3.61
  LCS_AVERAGE:     31.36

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  123
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     H    10_A     H    10_A      3    5  123      0    3    3    4    4    6    7   10   12   14   14   31   40   55   69   83   97  112  120  122 
LCS_GDT     S    11_A     S    11_A      3    5  123      3    3    3    4    4    6    7    8    9   14   17   44   57   76   94  107  118  121  121  122 
LCS_GDT     S    12_A     S    12_A      4    5  123      3    4    4    4    6    7   10   15   28   37   50   61   74   85  103  115  120  121  121  122 
LCS_GDT     G    13_A     G    13_A      4    7  123      3    4    4    5    6    7    8   10   12   14   27   35   46   60   71   79   94  107  120  121 
LCS_GDT     L    14_A     L    14_A      4  119  123      4    4    4    5    6    7    9   13   27   35   49   72   89  113  118  119  120  121  121  122 
LCS_GDT     V    15_A     V    15_A      4  119  123      4    4    4   28   55  103  112  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     P    16_A     P    16_A      4  119  123      4    4    4    4   35  105  112  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     R    17_A     R    17_A      4  119  123      4    4   94  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     G    18_A     G    18_A      4  119  123      3    4    5    7   21   63  106  114  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     S    19_A     S    19_A     30  119  123      3   14   48  101  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     H    20_A     H    20_A     31  119  123      7   50   92  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     M    21_A     M    21_A     37  119  123     31   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     Q    22_A     Q    22_A     37  119  123     41   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     E    23_A     E    23_A     37  119  123     39   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     E    24_A     E    24_A     37  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     E    25_A     E    25_A     37  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     F    26_A     F    26_A     37  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     H    27_A     H    27_A     37  119  123     40   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     K    28_A     K    28_A     37  119  123     35   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     L    29_A     L    29_A     37  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     A    30_A     A    30_A     37  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     N    31_A     N    31_A     37  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     F    32_A     F    32_A     37  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     T    33_A     T    33_A     37  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     I    34_A     I    34_A     37  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     N    35_A     N    35_A     37  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     H    36_A     H    36_A     37  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     L    37_A     L    37_A     37  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     L    38_A     L    38_A     37  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     E    39_A     E    39_A     37  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     K    40_A     K    40_A     37  119  123     30   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     I    41_A     I    41_A     37  119  123     12   81   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     E    42_A     E    42_A     37  119  123     30   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     D    43_A     D    43_A     37  119  123     37   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     Y    44_A     Y    44_A     37  119  123     15   75   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     G    45_A     G    45_A     37  119  123      6   75   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     D    46_A     D    46_A     37  119  123     13   78   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     N    47_A     N    47_A     37  119  123      3   29   94  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     V    48_A     V    48_A     51  119  123      3    3   27   99  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     Q    49_A     Q    49_A     51  119  123      4   15   85  104  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     I    50_A     I    50_A     51  119  123      4   75   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     D    51_A     D    51_A     51  119  123      4   36   63   94  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     G    52_A     G    52_A     51  119  123     10   76   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     F    53_A     F    53_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     D    54_A     D    54_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     I    55_A     I    55_A     51  119  123     44   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     D    56_A     D    56_A     51  119  123     40   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     Y    57_A     Y    57_A     51  119  123     38   80   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     G    58_A     G    58_A     51  119  123     12   67   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     N    59_A     N    59_A     51  119  123      6   26   61  101  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     E    60_A     E    60_A     51  119  123     10   35   90  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     V    61_A     V    61_A     51  119  123     32   80   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     L    62_A     L    62_A     51  119  123     41   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     T    63_A     T    63_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     L    64_A     L    64_A     51  119  123     44   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     K    65_A     K    65_A     51  119  123     40   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     L    66_A     L    66_A     51  119  123     37   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     G    67_A     G    67_A     51  119  123     33   80   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     S    68_A     S    68_A     51  119  123     34   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     L    69_A     L    69_A     51  119  123     35   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     G    70_A     G    70_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     T    71_A     T    71_A     51  119  123     44   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     Y    72_A     Y    72_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     V    73_A     V    73_A     51  119  123     40   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     L    74_A     L    74_A     51  119  123     34   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     N    75_A     N    75_A     51  119  123     35   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     K    76_A     K    76_A     51  119  123     40   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     Q    77_A     Q    77_A     51  119  123     41   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     T    78_A     T    78_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     P    79_A     P    79_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     N    80_A     N    80_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     R    81_A     R    81_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     Q    82_A     Q    82_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     I    83_A     I    83_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     W    84_A     W    84_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     M    85_A     M    85_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     S    86_A     S    86_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     S    87_A     S    87_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     P    88_A     P    88_A     51  119  123     28   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     V    89_A     V    89_A     51  119  123      4   77   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     S    90_A     S    90_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     G    91_A     G    91_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     P    92_A     P    92_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     S    93_A     S    93_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     R    94_A     R    94_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     F    95_A     F    95_A     51  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     D    96_A     D    96_A     51  119  123     44   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     W    97_A     W    97_A     51  119  123     29   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     D    98_A     D    98_A     51  119  123     38   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     R    99_A     R    99_A     51  119  123      3   13   80  101  109  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     D   100_A     D   100_A      9  119  123      4    7    9   15   39   91  109  114  116  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     A   101_A     A   101_A     28  119  123      4    7   12   56   97  106  113  114  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     N   102_A     N   102_A     31  119  123     14   68   95  104  110  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     A   103_A     A   103_A     31  119  123     40   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     W   104_A     W   104_A     31  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     I   105_A     I   105_A     31  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     Y   106_A     Y   106_A     31  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     R   107_A     R   107_A     31  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     R   108_A     R   108_A     31  119  123     25   80   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     T   109_A     T   109_A     31  119  123     33   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     E   110_A     E   110_A     31  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     A   111_A     A   111_A     31  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     K   112_A     K   112_A     31  119  123     38   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     L   113_A     L   113_A     31  119  123     38   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     H   114_A     H   114_A     31  119  123     43   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     K   115_A     K   115_A     31  119  123     27   82   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     L   116_A     L   116_A     31  119  123     38   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     L   117_A     L   117_A     31  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     E   118_A     E   118_A     31  119  123     40   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     E   119_A     E   119_A     31  119  123     40   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     E   120_A     E   120_A     31  119  123     41   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     L   121_A     L   121_A     31  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     E   122_A     E   122_A     31  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     N   123_A     N   123_A     31  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     L   124_A     L   124_A     31  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     C   125_A     C   125_A     31  119  123     46   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     G   126_A     G   126_A     31  119  123     38   83   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     E   127_A     E   127_A     31  119  123     26   80   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     P   128_A     P   128_A     31  119  123      4   67   94  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     I   129_A     I   129_A     31  119  123      4   60   94  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     Q   130_A     Q   130_A     31  119  123      4   21   89  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     L   131_A     L   131_A     31  119  123      4   62   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_GDT     S   132_A     S   132_A     31  119  123     12   61   96  106  111  113  113  115  117  117  118  118  118  118  118  119  120  121  121  122 
LCS_AVERAGE  LCS_A:  75.03  (  31.36   93.75  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     46     83     96    106    111    113    113    115    117    117    118    118    118    118    118    119    120    121    121    122 
GDT PERCENT_AT  37.40  67.48  78.05  86.18  90.24  91.87  91.87  93.50  95.12  95.12  95.93  95.93  95.93  95.93  95.93  96.75  97.56  98.37  98.37  99.19
GDT RMS_LOCAL    0.35   0.57   0.73   0.92   1.06   1.10   1.10   1.30   1.42   1.42   1.52   1.52   1.52   1.52   1.52   1.81   2.22   2.61   2.61   3.00
GDT RMS_ALL_AT   3.44   3.43   3.43   3.43   3.45   3.45   3.45   3.40   3.41   3.41   3.40   3.40   3.40   3.40   3.40   3.37   3.31   3.27   3.27   3.24

# Checking swapping
#   possible swapping detected:  E    23_A      E    23_A
#   possible swapping detected:  F    32_A      F    32_A
#   possible swapping detected:  D    51_A      D    51_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  F    95_A      F    95_A
#   possible swapping detected:  D    98_A      D    98_A
#   possible swapping detected:  D   100_A      D   100_A
#   possible swapping detected:  E   110_A      E   110_A
#   possible swapping detected:  E   118_A      E   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    10_A      H    10_A    18.015     0    0.426   1.260    24.973    0.000    0.000
LGA    S    11_A      S    11_A    16.227     0    0.705   0.784    16.543    0.000    0.000
LGA    S    12_A      S    12_A    14.535     0    0.059   0.081    14.754    0.000    0.000
LGA    G    13_A      G    13_A    15.158     0    0.178   0.178    15.158    0.000    0.000
LGA    L    14_A      L    14_A    10.993     3    0.291   0.377    12.601    1.071    0.536
LGA    V    15_A      V    15_A     4.923     0    0.032   0.076     7.001   22.262   40.680
LGA    P    16_A      P    16_A     5.327     0    0.102   0.397     7.188   45.952   32.041
LGA    R    17_A      R    17_A     1.672     6    0.034   0.035     4.337   56.190   24.372
LGA    G    18_A      G    18_A     4.499     0    0.636   0.636     4.499   47.143   47.143
LGA    S    19_A      S    19_A     2.378     0    0.386   0.848     3.342   71.667   68.095
LGA    H    20_A      H    20_A     2.128     5    0.080   0.092     3.848   65.119   30.381
LGA    M    21_A      M    21_A     0.708     0    0.148   1.210     2.568   85.952   80.833
LGA    Q    22_A      Q    22_A     0.546     0    0.081   1.267     3.614   92.857   82.275
LGA    E    23_A      E    23_A     0.447     0    0.055   0.590     1.779   95.238   90.635
LGA    E    24_A      E    24_A     1.036     4    0.024   0.055     1.194   83.690   46.243
LGA    E    25_A      E    25_A     1.027     0    0.059   0.283     2.225   85.952   79.683
LGA    F    26_A      F    26_A     0.469     0    0.053   0.081     0.610   95.238   98.268
LGA    H    27_A      H    27_A     0.934     0    0.057   1.038     2.783   85.952   79.333
LGA    K    28_A      K    28_A     1.290     0    0.030   1.550     7.175   81.429   61.164
LGA    L    29_A      L    29_A     0.949     0    0.041   0.869     3.106   88.214   82.083
LGA    A    30_A      A    30_A     0.522     0    0.026   0.033     0.685   95.238   94.286
LGA    N    31_A      N    31_A     0.527     0    0.048   1.257     4.324   92.857   78.571
LGA    F    32_A      F    32_A     0.547     0    0.030   1.453     7.002   92.857   61.299
LGA    T    33_A      T    33_A     0.614     0    0.033   0.090     0.804   92.857   91.837
LGA    I    34_A      I    34_A     0.469     0    0.021   0.149     1.206   97.619   94.107
LGA    N    35_A      N    35_A     0.356     0    0.026   1.332     4.338  100.000   82.381
LGA    H    36_A      H    36_A     0.538     0    0.049   0.182     1.280   95.238   88.762
LGA    L    37_A      L    37_A     0.456     0    0.023   0.875     3.137  100.000   87.917
LGA    L    38_A      L    38_A     0.316     0    0.026   0.156     0.507  100.000   98.810
LGA    E    39_A      E    39_A     0.353     0    0.038   0.378     1.509   95.238   92.751
LGA    K    40_A      K    40_A     0.824     0    0.069   0.768     3.821   88.214   68.995
LGA    I    41_A      I    41_A     1.289     0    0.072   1.309     3.721   81.429   66.071
LGA    E    42_A      E    42_A     1.090     0    0.027   0.579     2.645   81.429   74.180
LGA    D    43_A      D    43_A     0.917     0    0.023   0.146     1.253   85.952   87.083
LGA    Y    44_A      Y    44_A     1.470     0    0.596   0.692     3.907   71.429   65.437
LGA    G    45_A      G    45_A     1.442     0    0.105   0.105     1.641   77.143   77.143
LGA    D    46_A      D    46_A     1.209     0    0.097   0.113     1.460   81.429   81.429
LGA    N    47_A      N    47_A     1.764     0    0.710   0.727     5.248   64.048   51.964
LGA    V    48_A      V    48_A     2.789     0    0.329   1.421     7.061   56.071   41.701
LGA    Q    49_A      Q    49_A     2.207     0    0.425   1.327     7.598   81.786   47.354
LGA    I    50_A      I    50_A     1.141     0    0.107   1.016     5.810   85.952   66.250
LGA    D    51_A      D    51_A     2.696     0    0.232   1.165     4.115   64.881   55.000
LGA    G    52_A      G    52_A     1.464     0    0.159   0.159     1.999   79.286   79.286
LGA    F    53_A      F    53_A     0.150     0    0.061   0.129     1.403   95.238   90.606
LGA    D    54_A      D    54_A     0.302     0    0.142   0.267     0.975   97.619   96.429
LGA    I    55_A      I    55_A     0.636     0    0.045   1.223     3.743   90.476   77.083
LGA    D    56_A      D    56_A     0.643     0    0.117   0.809     3.120   95.238   79.286
LGA    Y    57_A      Y    57_A     1.210     0    0.076   0.254     3.475   81.548   67.381
LGA    G    58_A      G    58_A     1.803     0    0.259   0.259     4.565   58.571   58.571
LGA    N    59_A      N    59_A     3.096     0    0.274   0.996     3.967   59.167   52.917
LGA    E    60_A      E    60_A     2.172     0    0.042   0.627     2.516   69.048   71.217
LGA    V    61_A      V    61_A     1.207     0    0.043   1.167     3.294   79.286   73.333
LGA    L    62_A      L    62_A     0.636     0    0.024   1.030     2.461   90.476   84.048
LGA    T    63_A      T    63_A     0.305     0    0.048   1.116     2.807  100.000   88.639
LGA    L    64_A      L    64_A     0.568     0    0.130   0.879     3.396   90.476   78.155
LGA    K    65_A      K    65_A     0.809     0    0.055   0.674     1.465   90.476   88.466
LGA    L    66_A      L    66_A     0.986     0    0.231   0.875     2.835   85.952   79.702
LGA    G    67_A      G    67_A     1.511     0    0.067   0.067     1.511   79.286   79.286
LGA    S    68_A      S    68_A     0.966     0    0.076   0.708     3.036   85.952   79.206
LGA    L    69_A      L    69_A     0.884     0    0.073   1.462     4.937   92.857   70.595
LGA    G    70_A      G    70_A     0.339     0    0.071   0.071     0.579   95.238   95.238
LGA    T    71_A      T    71_A     0.649     0    0.084   1.126     2.216   95.238   84.558
LGA    Y    72_A      Y    72_A     0.462     0    0.058   0.129     0.965   95.238   96.825
LGA    V    73_A      V    73_A     0.684     0    0.035   1.022     2.697   95.238   85.918
LGA    L    74_A      L    74_A     0.762     0    0.047   0.145     1.144   88.214   88.214
LGA    N    75_A      N    75_A     0.689     0    0.046   0.714     2.233   90.476   87.262
LGA    K    76_A      K    76_A     0.577     0    0.040   0.641     1.722   92.857   88.571
LGA    Q    77_A      Q    77_A     0.607     0    0.059   1.109     2.461   90.476   82.804
LGA    T    78_A      T    78_A     0.437     0    0.074   0.067     0.483  100.000  100.000
LGA    P    79_A      P    79_A     0.492     0    0.036   0.352     1.142   95.238   93.265
LGA    N    80_A      N    80_A     0.668     0    0.119   1.134     3.008   90.476   83.214
LGA    R    81_A      R    81_A     0.478     0    0.049   1.341     5.825   97.619   71.039
LGA    Q    82_A      Q    82_A     0.217     0    0.077   0.429     1.706  100.000   94.868
LGA    I    83_A      I    83_A     0.180     0    0.040   0.076     0.320  100.000  100.000
LGA    W    84_A      W    84_A     0.266     0    0.028   0.076     0.754  100.000   95.238
LGA    M    85_A      M    85_A     0.271     0    0.043   0.651     2.374  100.000   92.202
LGA    S    86_A      S    86_A     0.226     0    0.048   0.604     2.296  100.000   94.127
LGA    S    87_A      S    87_A     0.099     0    0.042   0.524     1.886  100.000   95.476
LGA    P    88_A      P    88_A     0.763     0    0.166   0.165     1.836   86.190   89.388
LGA    V    89_A      V    89_A     1.234     0    0.056   1.150     3.166   83.690   75.782
LGA    S    90_A      S    90_A     0.274     0    0.333   0.623     1.907   90.833   87.778
LGA    G    91_A      G    91_A     0.337     0    0.129   0.129     0.338  100.000  100.000
LGA    P    92_A      P    92_A     0.597     0    0.043   0.418     2.448   92.857   85.578
LGA    S    93_A      S    93_A     0.477     0    0.039   0.605     1.950   97.619   93.889
LGA    R    94_A      R    94_A     0.627     0    0.029   1.045     3.206   90.476   83.550
LGA    F    95_A      F    95_A     0.409     0    0.025   0.125     0.562  100.000   98.268
LGA    D    96_A      D    96_A     0.727     0    0.034   0.172     1.082   90.476   89.345
LGA    W    97_A      W    97_A     0.987     0    0.075   0.196     1.738   88.214   80.306
LGA    D    98_A      D    98_A     0.909     0    0.573   1.194     4.509   69.286   73.274
LGA    R    99_A      R    99_A     2.940     0    0.517   1.263     9.229   48.333   36.580
LGA    D   100_A      D   100_A     6.125     0    0.086   0.948     7.968   18.929   14.940
LGA    A   101_A      A   101_A     4.829     0    0.677   0.618     6.315   26.548   28.667
LGA    N   102_A      N   102_A     2.283     0    0.222   1.118     5.783   73.452   58.214
LGA    A   103_A      A   103_A     1.011     0    0.048   0.089     1.708   81.548   79.810
LGA    W   104_A      W   104_A     0.586     0    0.054   0.112     0.691   90.476   96.599
LGA    I   105_A      I   105_A     0.445     0    0.072   1.163     2.666  100.000   85.833
LGA    Y   106_A      Y   106_A     0.371     0    0.122   0.489     1.729   95.238   90.714
LGA    R   107_A      R   107_A     0.655     0    0.490   1.161     5.065   84.048   70.779
LGA    R   108_A      R   108_A     1.452     0    0.281   0.614     2.777   73.214   70.866
LGA    T   109_A      T   109_A     1.019     0    0.095   1.055     3.740   85.952   77.347
LGA    E   110_A      E   110_A     0.774     0    0.044   0.841     2.937   88.214   74.656
LGA    A   111_A      A   111_A     0.608     0    0.072   0.079     0.623   95.238   94.286
LGA    K   112_A      K   112_A     0.866     0    0.088   0.675     1.697   90.476   84.497
LGA    L   113_A      L   113_A     0.753     0    0.042   1.159     2.987   90.476   81.964
LGA    H   114_A      H   114_A     0.411     0    0.036   1.407     6.279   95.238   65.429
LGA    K   115_A      K   115_A     1.001     0    0.077   0.995     3.772   88.214   69.788
LGA    L   116_A      L   116_A     0.695     0    0.061   0.856     3.349   95.238   82.321
LGA    L   117_A      L   117_A     0.274     0    0.045   0.161     0.470  100.000  100.000
LGA    E   118_A      E   118_A     0.614     0    0.025   0.742     3.530   90.476   71.746
LGA    E   119_A      E   119_A     0.674     0    0.038   0.430     1.900   90.476   85.503
LGA    E   120_A      E   120_A     0.581     0    0.032   0.112     0.725   92.857   92.593
LGA    L   121_A      L   121_A     0.468     0    0.020   1.368     3.143   95.238   81.429
LGA    E   122_A      E   122_A     0.600     0    0.049   0.225     1.723   95.238   88.624
LGA    N   123_A      N   123_A     0.150     0    0.062   1.198     4.712   97.619   80.476
LGA    L   124_A      L   124_A     0.350     0    0.041   1.034     4.690   97.619   77.440
LGA    C   125_A      C   125_A     0.732     0    0.156   0.872     3.954   95.238   82.857
LGA    G   126_A      G   126_A     0.736     0    0.184   0.184     0.953   90.476   90.476
LGA    E   127_A      E   127_A     1.450     0    0.080   0.810     2.622   77.143   74.974
LGA    P   128_A      P   128_A     1.752     0    0.136   0.369     2.802   72.857   69.456
LGA    I   129_A      I   129_A     1.856     0    0.120   1.336     5.567   72.857   64.940
LGA    Q   130_A      Q   130_A     2.325     0    0.044   1.040     5.052   64.762   60.794
LGA    L   131_A      L   131_A     1.629     0    0.094   0.166     2.109   72.857   71.845
LGA    S   132_A      S   132_A     1.584     0    0.448   0.681     1.867   75.000   74.286

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      123     492    492  100.00     980    980  100.00               123
SUMMARY(RMSD_GDC):     3.240          3.206                  3.504           81.496   74.049

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  123    4.0    115    1.30    85.976    90.132     8.211

LGA_LOCAL      RMSD:   1.301  Number of atoms:  115  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.404  Number of assigned atoms:  123 
Std_ASGN_ATOMS RMSD:   3.240  Standard rmsd on all 123 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.637132 * X  +   0.268847 * Y  +  -0.722346 * Z  +  -0.225779
  Y_new =  -0.206255 * X  +   0.962485 * Y  +   0.176300 * Z  + -51.199959
  Z_new =   0.742645 * X  +   0.036661 * Y  +   0.668681 * Z  + -10.956786 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.313077 -0.837011  0.054771   [DEG:  -17.9380  -47.9572    3.1382 ]
ZXZ: -1.810182  0.838362  1.521471   [DEG: -103.7158   48.0346   87.1739 ]
 
# END of job
