
#######################################################
#                                                     #
#                        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       1.53     1.53
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.53     1.53
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74      32_B - 105_B       0.95     1.62
  LCS_AVERAGE:     41.61

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     27  128  128     74  106  112  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B     27  128  128     79  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B     27  128  128     72  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B     27  128  128     56  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B     27  128  128     74  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B     27  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B     27  128  128     13   82  109  114  118  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B     27  128  128      4    5    9   45  111  118  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B      5  128  128      3    5    7   15   46  103  116  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B      5  128  128      3    5    7    8   11   21   28   54   99  120  126  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B     72  128  128      3    5   34   84  111  118  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B     73  128  128      3    3    3    4    8  115  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B     74  128  128     80  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B     74  128  128     55  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B     74  128  128     16  100  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B     74  128  128      4   65  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B     74  128  128     14  105  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B     74  128  128     68  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B     74  128  128     79  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B     74  128  128     74  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B     74  128  128     27  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B     74  128  128     20  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B     74  128  128     20  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B     74  128  128     76  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B     74  128  128     70  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B     74  128  128     76  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B     74  128  128     70  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B     74  128  128     70  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B     74  128  128     75  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B     74  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B     74  128  128     20   93  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B     74  128  128      4   86  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B     74  128  128     11   87  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B     74  128  128      4    5   13   59  114  119  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B     74  128  128      4    5    5   12   19  118  121  122  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B     74  128  128      4   27   76  115  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B      8  128  128      4    7   11   22   65  105  120  122  124  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      8  128  128      4   23   54  111  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B     21  128  128      4   33   68  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     21  128  128      4   10   54  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     21  128  128     41  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     21  128  128     53  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     21  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     21  128  128     39  105  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     21  128  128     14   62  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     21  128  128     75  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     21  128  128     24  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     21  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     21  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     21  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     21  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     21  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     21  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     21  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     21  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     21  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     21  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     21  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     21  128  128     82  106  113  116  119  120  121  123  125  126  127  127  128  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  80.54  (  41.61  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     82    106    113    116    119    120    121    123    125    126    127    127    128    128    128    128    128    128    128    128 
GDT PERCENT_AT  64.06  82.81  88.28  90.62  92.97  93.75  94.53  96.09  97.66  98.44  99.22  99.22 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.26   0.46   0.59   0.66   0.81   0.84   0.91   1.07   1.20   1.29   1.38   1.38   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53
GDT RMS_ALL_AT   1.57   1.54   1.55   1.55   1.55   1.54   1.55   1.53   1.54   1.54   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53   1.53

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  F    37_B      F    37_B
#   possible swapping detected:  E    44_B      E    44_B
#   possible swapping detected:  Y    94_B      Y    94_B
#   possible swapping detected:  Y   106_B      Y   106_B
#   possible swapping detected:  E   107_B      E   107_B
#   possible swapping detected:  Y   115_B      Y   115_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     0.760     0    0.055   0.385     2.623   90.476   80.053
LGA    V     2_B      V     2_B     0.593     0    0.051   0.089     0.951   90.476   91.837
LGA    Q     3_B      Q     3_B     0.473     0    0.038   1.188     4.898  100.000   79.630
LGA    L     4_B      L     4_B     0.339     0    0.041   0.095     0.538  100.000   98.810
LGA    V     5_B      V     5_B     0.372     0    0.011   0.109     0.780   97.619   95.918
LGA    E     6_B      E     6_B     0.256     0    0.077   0.081     0.407  100.000  100.000
LGA    S     7_B      S     7_B     0.234     0    0.016   0.030     0.285  100.000  100.000
LGA    G     8_B      G     8_B     0.224     0    0.033   0.033     0.468  100.000  100.000
LGA    G     9_B      G     9_B     0.372     0    0.057   0.057     0.385  100.000  100.000
LGA    G    10_B      G    10_B     0.688     0    0.013   0.013     0.688   95.238   95.238
LGA    S    11_B      S    11_B     0.414     0    0.148   0.756     1.822   90.833   87.778
LGA    V    12_B      V    12_B     0.387     0    0.114   0.191     0.943   97.619   95.918
LGA    Q    13_B      Q    13_B     0.538     0    0.027   0.844     1.982   97.619   89.683
LGA    A    14_B      A    14_B     0.348     0    0.041   0.076     0.528  100.000   98.095
LGA    G    15_B      G    15_B     0.220     0    0.095   0.095     0.672   97.619   97.619
LGA    G    16_B      G    16_B     0.324     0    0.024   0.024     0.324  100.000  100.000
LGA    S    17_B      S    17_B     0.374     0    0.008   0.128     0.525  100.000   98.413
LGA    L    18_B      L    18_B     0.226     0    0.012   0.437     1.313  100.000   96.488
LGA    R    19_B      R    19_B     0.169     0    0.019   0.697     2.726  100.000   93.550
LGA    L    20_B      L    20_B     0.183     0    0.006   0.056     0.298  100.000  100.000
LGA    S    21_B      S    21_B     0.454     0    0.019   0.709     2.349   95.238   89.365
LGA    C    22_B      C    22_B     0.819     0    0.052   0.087     1.277   88.214   87.460
LGA    A    23_B      A    23_B     0.892     0    0.070   0.095     0.935   90.476   90.476
LGA    A    24_B      A    24_B     0.506     0    0.045   0.042     0.846   92.857   92.381
LGA    S    25_B      S    25_B     0.213     0    0.029   0.057     1.489   92.976   90.635
LGA    G    26_B      G    26_B     2.223     0    0.069   0.069     3.516   61.667   61.667
LGA    Y    27_B      Y    27_B     3.987     0    0.622   1.009     6.663   35.000   35.714
LGA    T    28_B      T    28_B     5.692     0    0.503   0.404     7.225   20.000   17.687
LGA    Y    29_B      Y    29_B     7.573     0    0.707   1.217    11.360   11.905    4.087
LGA    S    30_B      S    30_B     4.368     0    0.652   0.828     5.610   30.476   40.794
LGA    M    31_B      M    31_B     4.465     0    0.639   1.053    11.231   43.690   24.762
LGA    Y    32_B      Y    32_B     0.635     0    0.532   1.389    11.264   83.810   39.563
LGA    C    33_B      C    33_B     0.299     0    0.019   0.144     1.135   95.238   92.143
LGA    M    34_B      M    34_B     0.767     0    0.043   0.916     4.412   90.476   79.643
LGA    G    35_B      G    35_B     1.141     0    0.081   0.081     1.141   85.952   85.952
LGA    W    36_B      W    36_B     0.421     0    0.018   0.064     0.680   97.619   96.599
LGA    F    37_B      F    37_B     0.320     0    0.056   0.141     0.423  100.000  100.000
LGA    R    38_B      R    38_B     0.348     0    0.015   0.080     0.768  100.000   95.671
LGA    Q    39_B      Q    39_B     0.224     0    0.099   0.141     1.007   97.619   94.762
LGA    A    40_B      A    40_B     1.231     0    0.056   0.066     1.424   85.952   85.048
LGA    P    41_B      P    41_B     1.622     0    0.046   0.081     2.345   79.405   74.286
LGA    G    42_B      G    42_B     1.263     0    0.296   0.296     1.263   81.429   81.429
LGA    K    43_B      K    43_B     0.900     0    0.043   0.938     3.246   90.476   82.011
LGA    E    44_B      E    44_B     0.721     0    0.032   0.762     4.072   90.476   74.286
LGA    R    45_B      R    45_B     0.317     0    0.060   0.364     1.088  100.000   96.580
LGA    E    46_B      E    46_B     0.384     0    0.025   0.586     1.911  100.000   93.862
LGA    G    47_B      G    47_B     0.529     0    0.010   0.010     0.596   95.238   95.238
LGA    V    48_B      V    48_B     0.332     0    0.022   0.040     0.401  100.000  100.000
LGA    A    49_B      A    49_B     0.383     0    0.028   0.036     0.393  100.000  100.000
LGA    G    50_B      G    50_B     0.510     0    0.012   0.012     0.560   95.238   95.238
LGA    I    51_B      I    51_B     0.495     0    0.017   0.047     0.935   97.619   94.048
LGA    C    52_B      C    52_B     0.298     0    0.037   0.140     0.763   95.238   95.238
LGA    A    53_B      A    53_B     0.691     0    0.067   0.071     0.901   92.857   92.381
LGA    N    54_B      N    54_B     0.904     0    0.043   0.896     4.112   85.952   71.190
LGA    G    55_B      G    55_B     0.995     0    0.040   0.040     0.997   90.476   90.476
LGA    K    56_B      K    56_B     1.063     0    0.012   0.523     2.005   85.952   82.646
LGA    A    57_B      A    57_B     0.495     0    0.022   0.040     0.636   97.619   96.190
LGA    I    58_B      I    58_B     0.241     0    0.028   0.071     0.506  100.000   98.810
LGA    H    59_B      H    59_B     0.165     0    0.025   1.158     5.174  100.000   70.381
LGA    Y    60_B      Y    60_B     0.057     0    0.043   0.082     0.281  100.000  100.000
LGA    V    61_B      V    61_B     0.133     0    0.034   0.074     0.230  100.000  100.000
LGA    D    62_B      D    62_B     0.155     0    0.017   0.201     0.677  100.000   98.810
LGA    S    63_B      S    63_B     0.225     0    0.055   0.059     0.434  100.000  100.000
LGA    V    64_B      V    64_B     0.099     0    0.040   0.097     0.204  100.000  100.000
LGA    K    65_B      K    65_B     0.173     0    0.026   0.191     0.443  100.000  100.000
LGA    G    66_B      G    66_B     0.411     0    0.025   0.025     0.490  100.000  100.000
LGA    R    67_B      R    67_B     0.341     0    0.025   0.154     0.699  100.000   97.403
LGA    F    68_B      F    68_B     0.257     0    0.020   0.063     0.418  100.000  100.000
LGA    T    69_B      T    69_B     0.163     0    0.048   0.047     0.247  100.000  100.000
LGA    I    70_B      I    70_B     0.136     0    0.030   0.072     0.400  100.000  100.000
LGA    S    71_B      S    71_B     0.086     0    0.053   0.103     0.278  100.000  100.000
LGA    Q    72_B      Q    72_B     0.432     0    0.037   0.775     1.918   95.238   88.677
LGA    D    73_B      D    73_B     0.714     0    0.065   0.184     1.765   90.476   84.940
LGA    N    74_B      N    74_B     0.729     0    0.027   1.070     2.497   90.476   85.060
LGA    A    75_B      A    75_B     0.927     0    0.032   0.031     0.991   90.476   90.476
LGA    K    76_B      K    76_B     0.814     0    0.124   0.243     1.142   88.214   88.466
LGA    N    77_B      N    77_B     0.778     0    0.017   0.240     1.575   90.476   86.012
LGA    T    78_B      T    78_B     0.459     0    0.082   0.109     0.563   97.619   94.558
LGA    V    79_B      V    79_B     0.297     0    0.044   0.899     2.420  100.000   91.088
LGA    Y    80_B      Y    80_B     0.129     0    0.067   0.066     1.090  100.000   95.278
LGA    L    81_B      L    81_B     0.338     0    0.016   0.043     0.415  100.000  100.000
LGA    Q    82_B      Q    82_B     0.258     0    0.048   0.164     0.426  100.000  100.000
LGA    M    83_B      M    83_B     0.329     0    0.070   0.172     0.807  100.000   98.810
LGA    N    84_B      N    84_B     0.209     0    0.022   0.135     0.705  100.000   97.619
LGA    S    85_B      S    85_B     0.124     0    0.024   0.073     0.289  100.000  100.000
LGA    L    86_B      L    86_B     0.152     0    0.039   0.058     0.213  100.000  100.000
LGA    K    87_B      K    87_B     0.237     0    0.015   0.189     1.158  100.000   96.878
LGA    P    88_B      P    88_B     0.389     0    0.009   0.040     0.543  100.000   97.279
LGA    E    89_B      E    89_B     0.363     0    0.047   0.989     3.060  100.000   81.693
LGA    D    90_B      D    90_B     0.198     0    0.026   0.044     0.348  100.000  100.000
LGA    T    91_B      T    91_B     0.078     0    0.084   0.118     0.479  100.000  100.000
LGA    A    92_B      A    92_B     0.269     0    0.022   0.037     0.322  100.000  100.000
LGA    M    93_B      M    93_B     0.252     0    0.008   1.059     2.516  100.000   90.060
LGA    Y    94_B      Y    94_B     0.223     0    0.037   0.061     0.265  100.000  100.000
LGA    Y    95_B      Y    95_B     0.225     0    0.015   0.094     0.395  100.000  100.000
LGA    C    96_B      C    96_B     0.414     0    0.042   0.665     2.351  100.000   92.540
LGA    A    97_B      A    97_B     0.381     0    0.035   0.038     0.711   97.619   96.190
LGA    A    98_B      A    98_B     0.516     0    0.098   0.128     0.650   92.857   92.381
LGA    D    99_B      D    99_B     0.768     0    0.126   0.597     1.775   85.952   83.750
LGA    S   100_B      S   100_B     2.019     0    0.029   0.110     2.721   67.024   65.000
LGA    R   101_B      R   101_B     2.264     0    0.653   0.734     4.211   57.976   56.277
LGA    G   102_B      G   102_B     2.299     0    0.563   0.563     2.320   64.762   64.762
LGA    G   103_B      G   103_B     4.251     0    0.672   0.672     4.251   38.690   38.690
LGA    I   104_B      I   104_B     4.621     0    0.042   0.614     8.579   33.095   21.071
LGA    W   105_B      W   105_B     2.806     0    0.269   0.792    10.685   55.833   33.810
LGA    Y   106_B      Y   106_B     5.469     0    0.593   1.281    12.178   25.714   11.230
LGA    E   107_B      E   107_B     3.372     0    0.016   0.088     5.147   50.119   41.111
LGA    Q   108_B      Q   108_B     2.514     0    0.048   0.289     5.002   61.190   51.640
LGA    Q   109_B      Q   109_B     2.340     0    0.017   1.399     5.627   66.786   57.619
LGA    L   110_B      L   110_B     0.801     0    0.074   0.180     1.812   92.857   86.131
LGA    S   111_B      S   111_B     0.716     0    0.211   0.466     1.344   95.238   92.143
LGA    T   112_B      T   112_B     0.250     0    0.057   0.072     0.824   95.238   93.197
LGA    L   113_B      L   113_B     1.324     0    0.126   0.188     2.323   79.405   75.119
LGA    R   114_B      R   114_B     1.908     0    0.062   1.188     8.483   72.857   43.896
LGA    Y   115_B      Y   115_B     0.917     0    0.020   0.138     1.172   85.952   85.952
LGA    N   116_B      N   116_B     0.784     0    0.020   0.308     1.731   90.476   86.012
LGA    Y   117_B      Y   117_B     0.545     0    0.031   0.109     2.038   95.238   83.968
LGA    W   118_B      W   118_B     0.349     0    0.046   0.080     0.759  100.000   94.558
LGA    G   119_B      G   119_B     0.183     0    0.016   0.016     0.183  100.000  100.000
LGA    Q   120_B      Q   120_B     0.269     0    0.057   1.022     2.832  100.000   87.143
LGA    G   121_B      G   121_B     0.404     0    0.037   0.037     0.426  100.000  100.000
LGA    T   122_B      T   122_B     0.281     0    0.015   0.124     0.364  100.000  100.000
LGA    Q   123_B      Q   123_B     0.093     0    0.052   0.252     0.764  100.000   97.884
LGA    V   124_B      V   124_B     0.100     0    0.059   0.080     0.430  100.000  100.000
LGA    T   125_B      T   125_B     0.133     0    0.060   0.436     1.269  100.000   95.986
LGA    V   126_B      V   126_B     0.241     0    0.021   0.026     0.349  100.000  100.000
LGA    S   127_B      S   127_B     0.568     0    0.043   0.630     2.826   95.238   88.095
LGA    S   128_B      S   128_B     0.590     0    0.069   0.623     2.493   90.476   86.190

# 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):     1.530          1.548                  2.399           89.595   85.572

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    123    1.07    92.383    95.508    10.484

LGA_LOCAL      RMSD:   1.073  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.533  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.530  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.447387 * X  +   0.884380 * Y  +   0.133102 * Z  +  33.629189
  Y_new =   0.198562 * X  +   0.243336 * Y  +  -0.949400 * Z  +  -8.415493
  Z_new =  -0.872019 * X  +  -0.398321 * Y  +  -0.284470 * Z  +  25.754652 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.723885  1.059313 -2.190971   [DEG:  156.0671   60.6941 -125.5334 ]
ZXZ:  0.139289  1.859250 -1.999274   [DEG:    7.9806  106.5272 -114.5499 ]
 
# END of job
