
#######################################################
#                                                     #
#                        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  132 , name one
# Molecule2: number of CA atoms  132 ( 1072),  selected  132 , 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:   132       1_A - 132_A       4.53     4.53
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       5_A - 132_A       1.86     4.70
  LCS_AVERAGE:     94.19

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    81      51_A - 131_A       0.99     4.85
  LCS_AVERAGE:     55.24

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
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     1_A     H     1_A      5    7  132      0    4    6    6    7    7    7    7    8    8    9    9    9    9    9   10   11   11   12   14 
LCS_GDT     H     2_A     H     2_A      5    7  132      3    4    6    6    7    7    7    7    8    8    9    9    9   11   11   11   15   16   16   16 
LCS_GDT     H     3_A     H     3_A      5    7  132      3    4    6    6    7    7    7    7    8    8    9    9    9   11   11   13   15   19   22   22 
LCS_GDT     H     4_A     H     4_A      5    7  132      3    4    6    6    7    7    7    7    8   10   13   18   28   37   49   65   90  122  129  129 
LCS_GDT     H     5_A     H     5_A      5  128  132      3    4    5    6    7    7    7    7   18   29   62   86   99  125  128  128  128  128  129  129 
LCS_GDT     H     6_A     H     6_A      4  128  132      3    3    6    6    7    9   26   93  105  121  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     E     7_A     E     7_A      4  128  132      3    4   36   54   71  104  122  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     N     8_A     N     8_A     36  128  132      3    3    5   88  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L     9_A     L     9_A     53  128  132      3    3    3   53  109  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Y    10_A     Y    10_A     64  128  132      3    3   27   36  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     F    11_A     F    11_A     68  128  132      3   30  106  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q    12_A     Q    12_A     70  128  132     16   54  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     S    13_A     S    13_A     70  128  132      9   54  109  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     S    14_A     S    14_A     70  128  132     20   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     A    15_A     A    15_A     70  128  132     21   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     K    16_A     K    16_A     70  128  132     23   64  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q    17_A     Q    17_A     70  128  132     22   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     D    18_A     D    18_A     70  128  132     29   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     F    19_A     F    19_A     70  128  132     23   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     A    20_A     A    20_A     70  128  132     23   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     E    21_A     E    21_A     70  128  132     23   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     G    22_A     G    22_A     70  128  132     23   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     V    23_A     V    23_A     70  128  132     20   80  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     K    24_A     K    24_A     70  128  132     23   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L    25_A     L    25_A     70  128  132     23   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     W    26_A     W    26_A     70  128  132     23   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q    27_A     Q    27_A     70  128  132     28   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     E    28_A     E    28_A     70  128  132     28   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     N    29_A     N    29_A     70  128  132     23   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     A    30_A     A    30_A     70  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     V    31_A     V    31_A     70  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L    32_A     L    32_A     70  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     W    33_A     W    33_A     70  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     T    34_A     T    34_A     70  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     R    35_A     R    35_A     70  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L    36_A     L    36_A     70  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     V    37_A     V    37_A     70  128  132     23   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q    38_A     Q    38_A     70  128  132     23   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     A    39_A     A    39_A     70  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     F    40_A     F    40_A     70  128  132     33   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q    41_A     Q    41_A     70  128  132     23   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     S    42_A     S    42_A     70  128  132     26   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     G    43_A     G    43_A     70  128  132     31   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     D    44_A     D    44_A     70  128  132     20   79  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q    45_A     Q    45_A     70  128  132     11   49   95  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     S    46_A     S    46_A     70  128  132     11   37   95  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     T    47_A     T    47_A     70  128  132     20   71  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     V    48_A     V    48_A     70  128  132     11   77  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     D    49_A     D    49_A     70  128  132     11   49   96  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     S    50_A     S    50_A     70  128  132     20   59  100  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L    51_A     L    51_A     81  128  132     20   80  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L    52_A     L    52_A     81  128  132     11   66  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     K    53_A     K    53_A     81  128  132     20   59  101  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q    54_A     Q    54_A     81  128  132     20   75  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L    55_A     L    55_A     81  128  132     20   78  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     D    56_A     D    56_A     81  128  132     20   43   95  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     A    57_A     A    57_A     81  128  132     20   53  100  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     N    58_A     N    58_A     81  128  132     20   77  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     A    59_A     A    59_A     81  128  132     20   34   95  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     A    60_A     A    60_A     81  128  132     20   50   95  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     R    61_A     R    61_A     81  128  132     22   80  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     V    62_A     V    62_A     81  128  132     12   80  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     E    63_A     E    63_A     81  128  132     12   66  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q    64_A     Q    64_A     81  128  132     22   79  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L    65_A     L    65_A     81  128  132     27   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L    66_A     L    66_A     81  128  132     12   80  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q    67_A     Q    67_A     81  128  132     17   80  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     R    68_A     R    68_A     81  128  132     27   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     I    69_A     I    69_A     81  128  132     23   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     I    70_A     I    70_A     81  128  132      8   80  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     S    71_A     S    71_A     81  128  132     27   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     E    72_A     E    72_A     81  128  132     12   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     T    73_A     T    73_A     81  128  132      9   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     G    74_A     G    74_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     D    75_A     D    75_A     81  128  132      9   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     E    76_A     E    76_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L    77_A     L    77_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     A    78_A     A    78_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     R    79_A     R    79_A     81  128  132     11   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     K    80_A     K    80_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     G    81_A     G    81_A     81  128  132     11   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     E    82_A     E    82_A     81  128  132     12   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     S    83_A     S    83_A     81  128  132     22   73  109  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L    84_A     L    84_A     81  128  132     22   83  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     F    85_A     F    85_A     81  128  132     22   75  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q    86_A     Q    86_A     81  128  132     25   75  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     R    87_A     R    87_A     81  128  132     23   73  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     N    88_A     N    88_A     81  128  132     14   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q    89_A     Q    89_A     81  128  132     25   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q    90_A     Q    90_A     81  128  132     25   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L    91_A     L    91_A     81  128  132     16   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     F    92_A     F    92_A     81  128  132     16   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     S    93_A     S    93_A     81  128  132     14   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q    94_A     Q    94_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L    95_A     L    95_A     81  128  132     18   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     K    96_A     K    96_A     81  128  132     18   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     T    97_A     T    97_A     81  128  132     20   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L    98_A     L    98_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     F    99_A     F    99_A     81  128  132     16   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     S   100_A     S   100_A     81  128  132     16   80  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q   101_A     Q   101_A     81  128  132     26   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     G   102_A     G   102_A     81  128  132     31   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     D   103_A     D   103_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     E   104_A     E   104_A     81  128  132     18   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     D   105_A     D   105_A     81  128  132     26   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     T   106_A     T   106_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     A   107_A     A   107_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     K   108_A     K   108_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     A   109_A     A   109_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     V   110_A     V   110_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L   111_A     L   111_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     E   112_A     E   112_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     E   113_A     E   113_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     I   114_A     I   114_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q   115_A     Q   115_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     S   116_A     S   116_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     N   117_A     N   117_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L   118_A     L   118_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     N   119_A     N   119_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q   120_A     Q   120_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     I   121_A     I   121_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q   122_A     Q   122_A     81  128  132     33   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q   123_A     Q   123_A     81  128  132     33   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     I   124_A     I   124_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     I   125_A     I   125_A     81  128  132     34   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     T   126_A     T   126_A     81  128  132     27   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     E   127_A     E   127_A     81  128  132     27   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     A   128_A     A   128_A     81  128  132     29   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     Q   129_A     Q   129_A     81  128  132     18   84  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     K   130_A     K   130_A     81  128  132     16   65  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     R   131_A     R   131_A     81  128  132      7   43  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_GDT     L   132_A     L   132_A     80  128  132      4   34  110  122  124  124  125  126  126  126  127  127  127  127  128  128  128  128  129  129 
LCS_AVERAGE  LCS_A:  83.14  (  55.24   94.19  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     34     84    110    122    124    124    125    126    126    126    127    127    127    127    128    128    128    128    129    129 
GDT PERCENT_AT  25.76  63.64  83.33  92.42  93.94  93.94  94.70  95.45  95.45  95.45  96.21  96.21  96.21  96.21  96.97  96.97  96.97  96.97  97.73  97.73
GDT RMS_LOCAL    0.35   0.67   0.87   1.04   1.08   1.08   1.13   1.26   1.26   1.26   1.52   1.52   1.52   1.52   1.86   1.86   1.86   1.86   2.31   2.31
GDT RMS_ALL_AT   4.76   4.81   4.82   4.81   4.83   4.83   4.83   4.80   4.80   4.80   4.76   4.76   4.76   4.76   4.70   4.70   4.70   4.70   4.64   4.64

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  F    11_A      F    11_A
#   possible swapping detected:  F    19_A      F    19_A
#   possible swapping detected:  F    40_A      F    40_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  E   104_A      E   104_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   113_A      E   113_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     1_A      H     1_A    33.150     0    0.184   1.123    39.527    0.000    0.000
LGA    H     2_A      H     2_A    27.008     0    0.104   0.520    29.680    0.000    0.000
LGA    H     3_A      H     3_A    21.707     0    0.361   0.531    26.535    0.000    0.000
LGA    H     4_A      H     4_A    16.656     0    0.342   0.417    20.486    0.000    0.000
LGA    H     5_A      H     5_A    12.705     0    0.229   0.871    15.088    0.714    0.286
LGA    H     6_A      H     6_A     9.916     0    0.308   1.414    14.652    1.548    0.619
LGA    E     7_A      E     7_A     6.227     0    0.607   0.640     7.725   24.643   18.519
LGA    N     8_A      N     8_A     2.365     0    0.281   0.684     6.731   50.833   39.702
LGA    L     9_A      L     9_A     3.560     0    0.624   0.768    10.359   53.810   30.238
LGA    Y    10_A      Y    10_A     2.817     0    0.252   1.346     8.510   57.619   29.405
LGA    F    11_A      F    11_A     1.688     0    0.142   0.181     4.050   75.000   58.701
LGA    Q    12_A      Q    12_A     1.241     0    0.036   0.862     2.637   81.429   75.926
LGA    S    13_A      S    13_A     1.499     0    0.029   0.088     1.760   81.429   78.571
LGA    S    14_A      S    14_A     0.482     0    0.141   0.234     0.843   95.238   95.238
LGA    A    15_A      A    15_A     0.583     0    0.029   0.028     1.010   90.595   90.571
LGA    K    16_A      K    16_A     1.141     0    0.017   1.063     5.658   85.952   67.302
LGA    Q    17_A      Q    17_A     0.567     0    0.022   1.446     5.302   95.238   72.857
LGA    D    18_A      D    18_A     0.482     0    0.027   0.062     0.640   95.238   96.429
LGA    F    19_A      F    19_A     0.741     0    0.026   0.133     0.960   90.476   90.476
LGA    A    20_A      A    20_A     0.790     0    0.017   0.023     0.821   90.476   90.476
LGA    E    21_A      E    21_A     0.616     0    0.040   0.955     3.829   90.476   75.079
LGA    G    22_A      G    22_A     0.830     0    0.027   0.027     0.948   90.476   90.476
LGA    V    23_A      V    23_A     1.014     0    0.011   0.035     1.223   85.952   84.014
LGA    K    24_A      K    24_A     0.696     0    0.050   0.876     3.800   90.476   76.085
LGA    L    25_A      L    25_A     0.684     0    0.013   1.370     2.820   90.476   81.012
LGA    W    26_A      W    26_A     0.854     0    0.033   1.631     5.737   90.476   69.694
LGA    Q    27_A      Q    27_A     0.501     0    0.015   0.127     0.821   95.238   92.593
LGA    E    28_A      E    28_A     0.532     0    0.025   0.689     3.423   90.476   73.280
LGA    N    29_A      N    29_A     0.635     0    0.023   0.065     0.744   90.476   90.476
LGA    A    30_A      A    30_A     0.459     0    0.017   0.026     0.500   97.619   98.095
LGA    V    31_A      V    31_A     0.339     0    0.010   0.035     0.432  100.000  100.000
LGA    L    32_A      L    32_A     0.500     0    0.022   0.033     0.597   95.238   96.429
LGA    W    33_A      W    33_A     0.670     0    0.041   1.638     6.543   90.476   67.653
LGA    T    34_A      T    34_A     0.473     0    0.010   0.058     0.579   95.238   95.918
LGA    R    35_A      R    35_A     0.620     0    0.022   1.364     7.850   90.476   59.437
LGA    L    36_A      L    36_A     0.718     0    0.021   0.867     2.712   90.476   84.107
LGA    V    37_A      V    37_A     0.930     0    0.021   0.050     1.245   90.476   86.599
LGA    Q    38_A      Q    38_A     0.846     0    0.019   0.080     1.252   90.476   87.460
LGA    A    39_A      A    39_A     0.507     0    0.016   0.021     0.690   90.476   92.381
LGA    F    40_A      F    40_A     0.939     0    0.033   0.157     2.092   90.476   79.307
LGA    Q    41_A      Q    41_A     1.071     0    0.064   0.152     2.523   85.952   76.085
LGA    S    42_A      S    42_A     0.526     0    0.121   0.126     0.765   92.857   92.063
LGA    G    43_A      G    43_A     0.655     0    0.063   0.063     1.456   90.595   90.595
LGA    D    44_A      D    44_A     1.083     0    0.026   0.064     1.714   83.690   82.619
LGA    Q    45_A      Q    45_A     2.196     0    0.081   0.674     3.097   66.786   63.175
LGA    S    46_A      S    46_A     2.340     0    0.029   0.053     2.613   68.810   66.190
LGA    T    47_A      T    47_A     1.303     0    0.013   0.048     1.598   79.286   80.204
LGA    V    48_A      V    48_A     1.159     0    0.042   0.053     1.626   81.429   80.204
LGA    D    49_A      D    49_A     2.064     0    0.031   0.113     3.064   68.810   63.036
LGA    S    50_A      S    50_A     1.737     0    0.017   0.670     3.434   77.143   71.905
LGA    L    51_A      L    51_A     0.817     0    0.033   0.065     1.137   88.214   89.345
LGA    L    52_A      L    52_A     1.382     0    0.034   0.053     1.733   79.286   76.071
LGA    K    53_A      K    53_A     1.630     0    0.029   0.098     1.948   72.857   72.857
LGA    Q    54_A      Q    54_A     1.161     0    0.028   0.689     2.026   81.429   79.630
LGA    L    55_A      L    55_A     1.035     0    0.020   0.099     1.452   83.690   87.083
LGA    D    56_A      D    56_A     1.969     0    0.025   0.365     2.795   70.833   66.845
LGA    A    57_A      A    57_A     1.735     0    0.034   0.032     1.781   72.857   72.857
LGA    N    58_A      N    58_A     1.002     0    0.033   0.162     1.217   81.429   87.143
LGA    A    59_A      A    59_A     1.840     0    0.049   0.062     2.213   72.857   71.238
LGA    A    60_A      A    60_A     1.976     0    0.023   0.025     2.272   72.857   71.238
LGA    R    61_A      R    61_A     0.704     0    0.038   0.858     7.608   92.976   60.260
LGA    V    62_A      V    62_A     0.970     0    0.026   0.056     1.955   90.476   84.150
LGA    E    63_A      E    63_A     1.335     0    0.015   0.113     1.701   81.429   76.667
LGA    Q    64_A      Q    64_A     0.964     0    0.038   0.176     1.733   88.214   81.587
LGA    L    65_A      L    65_A     0.470     0    0.042   0.152     1.204   95.238   91.726
LGA    L    66_A      L    66_A     0.942     0    0.063   0.137     1.706   90.476   84.881
LGA    Q    67_A      Q    67_A     0.694     0    0.041   0.075     1.457   95.238   88.571
LGA    R    68_A      R    68_A     0.313     0    0.054   1.065     5.197   97.619   79.394
LGA    I    69_A      I    69_A     0.725     0    0.043   0.082     1.020   90.476   89.345
LGA    I    70_A      I    70_A     0.906     0    0.016   0.031     1.099   88.214   85.952
LGA    S    71_A      S    71_A     0.727     0    0.058   0.696     1.937   90.476   87.540
LGA    E    72_A      E    72_A     1.009     0    0.096   0.205     1.173   83.690   87.460
LGA    T    73_A      T    73_A     1.197     0    0.166   1.165     3.644   79.286   72.381
LGA    G    74_A      G    74_A     1.019     0    0.099   0.099     1.193   83.690   83.690
LGA    D    75_A      D    75_A     1.411     0    0.046   0.326     2.540   81.429   76.250
LGA    E    76_A      E    76_A     1.363     0    0.024   0.799     4.987   81.429   65.132
LGA    L    77_A      L    77_A     0.853     0    0.040   0.070     1.082   88.214   90.536
LGA    A    78_A      A    78_A     1.011     0    0.035   0.052     1.138   83.690   83.238
LGA    R    79_A      R    79_A     1.271     0    0.031   1.427     6.805   81.429   58.874
LGA    K    80_A      K    80_A     1.001     0    0.033   0.065     1.128   85.952   84.444
LGA    G    81_A      G    81_A     0.787     0    0.045   0.045     0.977   90.476   90.476
LGA    E    82_A      E    82_A     1.332     0    0.016   0.347     2.034   77.143   75.767
LGA    S    83_A      S    83_A     1.684     0    0.082   0.564     2.444   72.857   71.508
LGA    L    84_A      L    84_A     1.438     0    0.018   0.052     1.555   79.286   80.357
LGA    F    85_A      F    85_A     1.544     0    0.070   1.303     6.537   75.000   53.983
LGA    Q    86_A      Q    86_A     1.591     0    0.023   0.196     1.755   72.857   72.857
LGA    R    87_A      R    87_A     1.586     0    0.017   0.084     1.981   72.857   72.857
LGA    N    88_A      N    88_A     1.397     0    0.024   0.134     1.454   81.429   81.429
LGA    Q    89_A      Q    89_A     1.451     0    0.015   0.698     2.379   81.429   78.624
LGA    Q    90_A      Q    90_A     1.466     0    0.047   0.093     1.570   81.429   80.476
LGA    L    91_A      L    91_A     1.411     0    0.058   0.101     1.556   79.286   80.357
LGA    F    92_A      F    92_A     1.434     0    0.012   1.072     4.178   81.429   71.082
LGA    S    93_A      S    93_A     1.283     0    0.099   0.563     1.477   85.952   84.444
LGA    Q    94_A      Q    94_A     0.725     0    0.023   0.872     3.114   92.857   79.683
LGA    L    95_A      L    95_A     0.946     0    0.022   1.381     2.624   90.476   81.012
LGA    K    96_A      K    96_A     0.973     0    0.045   0.809     5.868   90.476   65.132
LGA    T    97_A      T    97_A     0.606     0    0.018   0.038     0.714   90.476   91.837
LGA    L    98_A      L    98_A     0.294     0    0.015   0.051     0.676  100.000   98.810
LGA    F    99_A      F    99_A     0.848     0    0.073   1.105     4.749   90.476   70.563
LGA    S   100_A      S   100_A     0.867     0    0.093   0.660     1.376   90.476   87.460
LGA    Q   101_A      Q   101_A     0.617     0    0.120   0.227     1.708   95.238   89.630
LGA    G   102_A      G   102_A     0.243     0    0.074   0.074     0.646   97.619   97.619
LGA    D   103_A      D   103_A     0.368     0    0.031   0.094     0.814   97.619   95.238
LGA    E   104_A      E   104_A     0.987     0    0.073   0.125     2.240   90.476   80.741
LGA    D   105_A      D   105_A     0.744     0    0.010   0.150     1.461   90.476   87.083
LGA    T   106_A      T   106_A     0.597     0    0.010   0.129     0.815   90.476   90.476
LGA    A   107_A      A   107_A     0.506     0    0.018   0.028     0.569   90.476   90.476
LGA    K   108_A      K   108_A     0.590     0    0.023   0.546     2.440   90.476   87.619
LGA    A   109_A      A   109_A     0.552     0    0.025   0.038     0.590   95.238   94.286
LGA    V   110_A      V   110_A     0.371     0    0.014   0.046     0.511  100.000   98.639
LGA    L   111_A      L   111_A     0.533     0    0.041   0.056     0.670   92.857   91.667
LGA    E   112_A      E   112_A     0.489     0    0.023   0.092     0.846   95.238   93.651
LGA    E   113_A      E   113_A     0.569     0    0.017   0.101     1.315   90.476   86.455
LGA    I   114_A      I   114_A     0.560     0    0.035   0.059     0.921   90.476   90.476
LGA    Q   115_A      Q   115_A     0.388     0    0.047   0.959     4.043   95.238   77.725
LGA    S   116_A      S   116_A     0.639     0    0.097   0.566     2.091   90.476   86.190
LGA    N   117_A      N   117_A     0.773     0    0.018   0.051     1.151   90.476   87.083
LGA    L   118_A      L   118_A     0.666     0    0.046   0.075     1.029   90.476   89.345
LGA    N   119_A      N   119_A     0.453     0    0.021   0.054     0.719   97.619   94.048
LGA    Q   120_A      Q   120_A     0.556     0    0.027   0.061     1.067   92.857   89.524
LGA    I   121_A      I   121_A     0.472     0    0.025   0.049     1.081  100.000   94.107
LGA    Q   122_A      Q   122_A     0.405     0    0.016   0.941     3.715   97.619   81.058
LGA    Q   123_A      Q   123_A     0.702     0    0.022   0.222     1.449   90.476   87.460
LGA    I   124_A      I   124_A     0.753     0    0.026   0.640     1.644   90.476   86.012
LGA    I   125_A      I   125_A     0.337     0    0.007   0.047     1.062  100.000   94.107
LGA    T   126_A      T   126_A     0.709     0    0.066   0.066     1.303   88.214   87.891
LGA    E   127_A      E   127_A     0.833     0    0.054   0.693     1.521   88.214   83.545
LGA    A   128_A      A   128_A     0.683     0    0.023   0.037     0.979   90.476   90.476
LGA    Q   129_A      Q   129_A     0.985     0    0.025   1.272     5.748   85.952   64.921
LGA    K   130_A      K   130_A     1.507     0    0.113   0.131     1.939   75.000   73.810
LGA    R   131_A      R   131_A     1.584     0    0.128   1.482     5.627   77.143   62.078
LGA    L   132_A      L   132_A     1.652     0    0.363   0.468     2.428   70.833   76.190

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1072   1072  100.00               132
SUMMARY(RMSD_GDC):     4.529          4.457                  5.431           81.991   76.638

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  132    4.0    126    1.26    87.121    91.477     9.263

LGA_LOCAL      RMSD:   1.260  Number of atoms:  126  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.796  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   4.529  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.419709 * X  +   0.188049 * Y  +  -0.887965 * Z  + -19.112108
  Y_new =  -0.365044 * X  +   0.930667 * Y  +   0.024549 * Z  +  13.573224
  Z_new =   0.831016 * X  +   0.313843 * Y  +   0.459255 * Z  +  -8.627821 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.715852 -0.980931  0.599479   [DEG:  -41.0153  -56.2032   34.3476 ]
ZXZ: -1.598436  1.093639  1.209694   [DEG:  -91.5836   62.6609   69.3104 ]
 
# END of job
