
#######################################################
#                                                     #
#                        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  128 (  979),  selected  128 , name one
# Molecule2: number of CA atoms  128 (  979),  selected  128 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.94     1.94
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.94     1.94
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70      32_B - 101_B       0.97     2.03
  LCS_AVERAGE:     37.77

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  128
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     1_B     Q     1_B     28  128  128      4   27   78  105  112  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     28  128  128     23   82  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     28  128  128     37   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     28  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     28  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     28  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     28  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     28  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     28  128  128     32   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     28  128  128     25   88  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     28  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     28  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     28  128  128     27   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     28  128  128     42   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     28  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     28  128  128     24   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     28  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     28  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     28  128  128     53   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     28  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     28  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     28  128  128     51   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     28  128  128     36   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     28  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     28  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     28  128  128     15   79  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     28  128  128     24   78  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B     28  128  128      3    6   22   76  110  116  118  121  121  123  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      3  128  128      3    4    5    7    7   17   39   53  105  122  125  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B      3  128  128      3    8   49   80  110  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B     68  128  128      3    4    5    7  108  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     70  128  128      3   71  101  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     70  128  128     53   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     70  128  128     52   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     70  128  128     38   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     70  128  128     15   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     70  128  128      7   86  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     70  128  128      7   78  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     70  128  128      7   78  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     70  128  128     30   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     70  128  128     53   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     70  128  128     36   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     70  128  128     48   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     70  128  128      3    3    4   39  107  114  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     70  128  128     23   91  102  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     70  128  128     14   86  102  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     70  128  128     13   79  100  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     70  128  128      7   44  100  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     70  128  128     39   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     70  128  128     36   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     70  128  128     36   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     70  128  128     33   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     70  128  128     36   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     70  128  128     29   90  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     70  128  128     40   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     70  128  128     29   90  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     70  128  128     43   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     70  128  128     53   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     70  128  128     47   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     70  128  128     45   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     70  128  128     45   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     70  128  128     45   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     70  128  128     44   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     70  128  128     53   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     70  128  128     43   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     70  128  128     51   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     70  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     70  128  128     20   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     70  128  128      4   35   80  105  111  115  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     70  128  128     33   91  102  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     49  128  128      3    6   29   85  110  114  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B      4  128  128      3    6   12   23   49   88  113  119  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B      4  128  128      3    3    4    8   35   61   85  117  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B      4  128  128      3    3   14   33   62  101  114  119  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      7  128  128      4    7   10   15   30   50   74  103  119  122  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      7  128  128      6    7   12   27   44   74  113  119  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B      7  128  128      6    7   19   33   47  101  114  119  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B      7  128  128      6    7   32   70  107  114  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     18  128  128     12   86  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     18  128  128     12   80  101  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     18  128  128     42   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     18  128  128     51   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     18  128  128      8   35  101  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     18  128  128     36   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     18  128  128     43   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     18  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     18  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     18  128  128     26   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     18  128  128      4   34   95  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     18  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     18  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     18  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     18  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     18  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     18  128  128     54   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     18  128  128     51   91  103  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     17  128  128      4   34   81  110  113  116  118  121  122  125  126  127  128  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  79.26  (  37.77  100.00  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     54     91    103    110    113    116    118    121    122    125    126    127    128    128    128    128    128    128    128    128 
GDT PERCENT_AT  42.19  71.09  80.47  85.94  88.28  90.62  92.19  94.53  95.31  97.66  98.44  99.22 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.55   0.72   0.84   0.90   1.03   1.12   1.28   1.43   1.72   1.76   1.83   1.94   1.94   1.94   1.94   1.94   1.94   1.94   1.94
GDT RMS_ALL_AT   2.07   2.04   2.07   2.02   2.02   2.03   2.05   2.01   1.97   1.94   1.94   1.94   1.94   1.94   1.94   1.94   1.94   1.94   1.94   1.94

# Checking swapping
#   possible swapping detected:  Y    27_B      Y    27_B
#   possible swapping detected:  Y    29_B      Y    29_B
#   possible swapping detected:  E    46_B      E    46_B
#   possible swapping detected:  Y    60_B      Y    60_B
#   possible swapping detected:  Y    80_B      Y    80_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    95_B      Y    95_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  Y   117_B      Y   117_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     3.170     0    0.248   1.172     8.816   53.571   33.862
LGA    V     2_B      V     2_B     1.593     0    0.065   0.102     2.193   68.810   69.388
LGA    Q     3_B      Q     3_B     0.865     0    0.009   0.777     2.700   92.857   84.868
LGA    L     4_B      L     4_B     0.518     0    0.043   0.061     0.630   92.857   95.238
LGA    V     5_B      V     5_B     0.520     0    0.085   0.128     0.758   92.857   91.837
LGA    E     6_B      E     6_B     0.393     0    0.052   0.893     3.693  100.000   87.566
LGA    S     7_B      S     7_B     0.343     0    0.023   0.047     0.398  100.000  100.000
LGA    G     8_B      G     8_B     0.383     0    0.055   0.055     0.652   95.238   95.238
LGA    G     9_B      G     9_B     0.703     0    0.132   0.132     0.730   92.857   92.857
LGA    G    10_B      G    10_B     1.067     0    0.034   0.034     1.204   88.333   88.333
LGA    S    11_B      S    11_B     0.156     0    0.135   0.151     1.118   90.595   92.143
LGA    V    12_B      V    12_B     0.361     0    0.094   0.184     0.583   97.619   98.639
LGA    Q    13_B      Q    13_B     0.879     0    0.068   1.110     4.172   90.476   72.487
LGA    A    14_B      A    14_B     0.711     0    0.042   0.053     0.976   95.238   94.286
LGA    G    15_B      G    15_B     0.414     0    0.099   0.099     0.805   97.619   97.619
LGA    G    16_B      G    16_B     0.822     0    0.066   0.066     0.822   92.857   92.857
LGA    S    17_B      S    17_B     0.524     0    0.062   0.706     1.769   92.857   89.127
LGA    L    18_B      L    18_B     0.467     0    0.062   1.116     3.587   95.238   85.833
LGA    R    19_B      R    19_B     0.550     0    0.069   1.204     3.460   92.857   81.429
LGA    L    20_B      L    20_B     0.341     0    0.014   0.209     0.902   97.619   96.429
LGA    S    21_B      S    21_B     0.367     0    0.093   0.659     1.946  100.000   95.476
LGA    C    22_B      C    22_B     0.823     0    0.065   0.098     1.356   88.214   87.460
LGA    A    23_B      A    23_B     1.062     0    0.098   0.120     1.156   85.952   85.048
LGA    A    24_B      A    24_B     0.434     0    0.020   0.021     0.634   97.619   96.190
LGA    S    25_B      S    25_B     0.455     0    0.035   0.714     1.678   90.714   87.698
LGA    G    26_B      G    26_B     1.896     0    0.652   0.652     4.101   64.048   64.048
LGA    Y    27_B      Y    27_B     2.109     0    0.628   1.293    11.601   54.762   33.056
LGA    T    28_B      T    28_B     3.923     0    0.554   1.099     7.880   38.333   30.476
LGA    Y    29_B      Y    29_B     6.136     0    0.575   1.292    13.479   26.548    9.325
LGA    S    30_B      S    30_B     3.535     0    0.618   0.817     4.454   43.690   49.603
LGA    M    31_B      M    31_B     3.140     0    0.675   1.155     8.869   57.738   35.060
LGA    Y    32_B      Y    32_B     2.157     0    0.572   1.409    12.960   67.262   28.532
LGA    C    33_B      C    33_B     0.442     0    0.012   0.206     1.861   97.619   90.794
LGA    M    34_B      M    34_B     0.394     0    0.043   1.031     3.978   95.238   83.750
LGA    G    35_B      G    35_B     0.325     0    0.030   0.030     0.682   95.238   95.238
LGA    W    36_B      W    36_B     0.688     0    0.038   0.167     0.860   90.476   91.156
LGA    F    37_B      F    37_B     0.559     0    0.034   0.256     0.812   90.476   94.805
LGA    R    38_B      R    38_B     0.808     0    0.042   0.509     1.191   92.857   90.563
LGA    Q    39_B      Q    39_B     0.444     0    0.070   0.194     1.105   92.857   91.587
LGA    A    40_B      A    40_B     1.037     0    0.048   0.056     1.060   88.214   86.857
LGA    P    41_B      P    41_B     1.421     0    0.010   0.074     1.901   83.690   79.048
LGA    G    42_B      G    42_B     1.741     0    0.253   0.253     1.741   72.857   72.857
LGA    K    43_B      K    43_B     1.451     0    0.071   0.628     1.854   79.286   77.619
LGA    E    44_B      E    44_B     0.936     0    0.027   0.739     4.435   88.214   70.847
LGA    R    45_B      R    45_B     0.101     0    0.028   0.637     1.486   97.619   92.294
LGA    E    46_B      E    46_B     0.628     0    0.092   0.584     1.948   92.857   84.656
LGA    G    47_B      G    47_B     1.013     0    0.052   0.052     1.144   83.690   83.690
LGA    V    48_B      V    48_B     0.242     0    0.035   0.052     0.545   97.619   98.639
LGA    A    49_B      A    49_B     0.558     0    0.015   0.018     0.758   97.619   96.190
LGA    G    50_B      G    50_B     0.161     0    0.026   0.026     0.376  100.000  100.000
LGA    I    51_B      I    51_B     0.189     0    0.056   0.087     0.821  100.000   96.429
LGA    C    52_B      C    52_B     0.557     0    0.016   0.818     5.616   76.310   65.238
LGA    A    53_B      A    53_B     4.079     0    0.470   0.441     6.090   39.048   35.524
LGA    N    54_B      N    54_B     1.413     0    0.174   0.731     2.943   72.976   74.167
LGA    G    55_B      G    55_B     1.694     0    0.022   0.022     2.236   72.976   72.976
LGA    K    56_B      K    56_B     2.069     0    0.064   0.538     3.150   66.786   63.280
LGA    A    57_B      A    57_B     2.035     0    0.157   0.187     2.120   70.833   69.619
LGA    I    58_B      I    58_B     0.766     0    0.046   0.090     1.162   88.214   89.405
LGA    H    59_B      H    59_B     0.771     0    0.019   0.531     1.893   90.476   87.810
LGA    Y    60_B      Y    60_B     0.717     0    0.024   0.144     0.900   90.476   94.444
LGA    V    61_B      V    61_B     0.895     0    0.061   0.902     3.001   90.476   78.639
LGA    D    62_B      D    62_B     0.924     0    0.063   0.108     1.292   85.952   83.690
LGA    S    63_B      S    63_B     1.291     0    0.005   0.062     1.553   81.429   80.000
LGA    V    64_B      V    64_B     0.909     0    0.077   0.214     1.073   90.476   89.184
LGA    K    65_B      K    65_B     0.497     0    0.022   0.177     1.082   90.595   90.529
LGA    G    66_B      G    66_B     1.241     0    0.010   0.010     1.515   81.548   81.548
LGA    R    67_B      R    67_B     0.830     0    0.033   1.235     4.330   90.476   75.671
LGA    F    68_B      F    68_B     0.581     0    0.054   0.109     1.062   90.476   89.697
LGA    T    69_B      T    69_B     0.422     0    0.050   0.114     0.519   95.238   97.279
LGA    I    70_B      I    70_B     0.353     0    0.017   0.110     0.506  100.000   98.810
LGA    S    71_B      S    71_B     0.185     0    0.016   0.040     0.241  100.000  100.000
LGA    Q    72_B      Q    72_B     0.375     0    0.062   0.878     1.778  100.000   88.836
LGA    D    73_B      D    73_B     0.432     0    0.092   0.176     1.171   95.238   91.726
LGA    N    74_B      N    74_B     0.605     0    0.014   1.040     2.355   90.476   85.060
LGA    A    75_B      A    75_B     0.744     0    0.091   0.097     0.763   90.476   90.476
LGA    K    76_B      K    76_B     0.734     0    0.197   0.815     1.668   88.214   85.503
LGA    N    77_B      N    77_B     0.679     0    0.034   0.269     2.492   92.857   82.917
LGA    T    78_B      T    78_B     0.402     0    0.106   0.109     0.575  100.000   97.279
LGA    V    79_B      V    79_B     0.380     0    0.008   0.031     0.499  100.000  100.000
LGA    Y    80_B      Y    80_B     0.344     0    0.047   0.129     0.545  100.000   97.619
LGA    L    81_B      L    81_B     0.492     0    0.062   0.108     0.560   97.619   95.238
LGA    Q    82_B      Q    82_B     0.664     0    0.019   0.202     0.727   92.857   93.651
LGA    M    83_B      M    83_B     0.665     0    0.103   0.163     1.320   92.857   88.274
LGA    N    84_B      N    84_B     0.481     0    0.031   0.121     1.021   95.238   91.726
LGA    S    85_B      S    85_B     0.325     0    0.008   0.032     0.490  100.000  100.000
LGA    L    86_B      L    86_B     0.264     0    0.076   0.126     0.395  100.000  100.000
LGA    K    87_B      K    87_B     0.447     0    0.006   0.926     5.121  100.000   81.217
LGA    P    88_B      P    88_B     0.664     0    0.013   0.034     0.764   90.476   90.476
LGA    E    89_B      E    89_B     0.696     0    0.066   1.057     3.242   90.476   76.667
LGA    D    90_B      D    90_B     0.489     0    0.031   0.132     0.541   97.619   97.619
LGA    T    91_B      T    91_B     0.410     0    0.019   0.077     0.489  100.000  100.000
LGA    A    92_B      A    92_B     0.446     0    0.007   0.018     0.596  100.000   98.095
LGA    M    93_B      M    93_B     0.552     0    0.095   1.253     5.912   90.476   75.179
LGA    Y    94_B      Y    94_B     0.456     0    0.054   0.128     0.660   95.238   97.619
LGA    Y    95_B      Y    95_B     0.358     0    0.033   0.074     0.596   97.619   99.206
LGA    C    96_B      C    96_B     0.335     0    0.018   0.077     0.449  100.000  100.000
LGA    A    97_B      A    97_B     0.308     0    0.028   0.028     0.639   97.619   96.190
LGA    A    98_B      A    98_B     0.509     0    0.071   0.081     0.693   92.857   92.381
LGA    D    99_B      D    99_B     1.341     0    0.160   0.852     2.263   77.143   74.048
LGA    S   100_B      S   100_B     2.989     0    0.077   0.081     4.062   57.262   51.587
LGA    R   101_B      R   101_B     1.322     0    0.662   0.856     7.398   67.262   56.147
LGA    G   102_B      G   102_B     4.058     0    0.091   0.091     5.374   36.190   36.190
LGA    G   103_B      G   103_B     6.635     0    0.635   0.635     6.635   19.405   19.405
LGA    I   104_B      I   104_B     7.148     0    0.621   0.794     9.945   11.667    6.726
LGA    W   105_B      W   105_B     6.258     0    0.077   0.936     8.422   14.405   14.558
LGA    Y   106_B      Y   106_B     8.231     0    0.610   1.212    12.624    6.667    2.381
LGA    E   107_B      E   107_B     6.849     0    0.035   0.060    10.174   15.476    8.307
LGA    Q   108_B      Q   108_B     5.778     0    0.140   1.072    11.537   29.762   15.714
LGA    Q   109_B      Q   109_B     3.741     0    0.080   1.157     5.678   52.500   43.598
LGA    L   110_B      L   110_B     1.202     0    0.070   0.098     2.048   77.262   77.262
LGA    S   111_B      S   111_B     1.651     0    0.183   0.486     2.119   77.143   78.889
LGA    T   112_B      T   112_B     0.780     0    0.023   0.093     1.757   88.214   82.857
LGA    L   113_B      L   113_B     0.972     0    0.135   0.180     2.135   83.810   77.381
LGA    R   114_B      R   114_B     2.038     0    0.080   1.301     7.461   70.952   48.745
LGA    Y   115_B      Y   115_B     1.008     0    0.022   0.205     1.192   83.690   85.952
LGA    N   116_B      N   116_B     0.834     0    0.015   0.197     1.252   90.476   89.345
LGA    Y   117_B      Y   117_B     0.395     0    0.137   0.274     1.503   97.619   90.714
LGA    W   118_B      W   118_B     0.321     0    0.061   0.102     0.799   97.619   94.558
LGA    G   119_B      G   119_B     0.660     0    0.056   0.056     1.000   92.857   92.857
LGA    Q   120_B      Q   120_B     2.021     0    0.606   0.734     4.919   60.595   49.206
LGA    G   121_B      G   121_B     0.406     0    0.036   0.036     0.406  100.000  100.000
LGA    T   122_B      T   122_B     0.311     0    0.084   1.076     2.959   95.357   87.211
LGA    Q   123_B      Q   123_B     0.323     0    0.031   0.846     2.207   97.619   86.931
LGA    V   124_B      V   124_B     0.357     0    0.060   0.102     0.782   97.619   97.279
LGA    T   125_B      T   125_B     0.273     0    0.018   0.407     1.455   97.619   94.626
LGA    V   126_B      V   126_B     0.289     0    0.051   0.054     0.518   97.619   98.639
LGA    S   127_B      S   127_B     0.592     0    0.115   0.644     1.974   88.214   87.619
LGA    S   128_B      S   128_B     2.311     0    0.596   0.526     3.126   68.810   63.730

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      128     512    512  100.00     979    979  100.00               128
SUMMARY(RMSD_GDC):     1.942          1.939                  2.875           83.402   79.234

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    121    1.28    87.891    92.777     8.796

LGA_LOCAL      RMSD:   1.276  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.009  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.942  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.227745 * X  +   0.907614 * Y  +  -0.352660 * Z  +  28.444025
  Y_new =  -0.593087 * X  +   0.157942 * Y  +   0.789495 * Z  +   3.623062
  Z_new =   0.772257 * X  +   0.388962 * Y  +   0.502323 * Z  +   8.375595 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.937434 -0.882386  0.658888   [DEG: -111.0068  -50.5570   37.7515 ]
ZXZ: -2.721495  1.044513  1.104218   [DEG: -155.9301   59.8462   63.2670 ]
 
# END of job
