
#######################################################
#                                                     #
#                        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  135 ( 1077),  selected  126 , name one
# Molecule2: number of CA atoms  126 ( 1024),  selected  126 , 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:   126       7_B - 134_B       1.33     1.33
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       1.33     1.33
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      48_B - 128_B       0.99     1.34
  LONGEST_CONTINUOUS_SEGMENT:    79      49_B - 129_B       1.00     1.34
  LCS_AVERAGE:     59.13

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  126
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     E     7_B     E     7_B     73  126  126     30   91  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     73  126  126     50  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     73  126  126     42  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     73  126  126     50  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     73  126  126     50  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     73  126  126     50  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     73  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     73  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     73  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     73  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     73  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     73  126  126     63  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     73  126  126     61  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     73  126  126     62  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     73  126  126     62  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     73  126  126     46  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     73  126  126     42  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     73  126  126     41  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     73  126  126     42  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     73  126  126     42  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     73  126  126     42  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     73  126  126     42  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     73  126  126     25  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     73  126  126     25  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     73  126  126     45  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     73  126  126     59  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     73  126  126     59  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     73  126  126     62  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     73  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     73  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     73  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     73  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     73  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     73  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     73  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     73  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     73  126  126     63  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     73  126  126     23   88  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B     73  126  126      4    6   10   17  112  116  121  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B     73  126  126      3    8   28   62  114  116  121  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     73  126  126     19   75  105  113  119  122  122  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     79  126  126      4   75  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     79  126  126     50  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B     79  126  126     48  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B     79  126  126     21  101  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B     79  126  126      3    4   33   68  115  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B     79  126  126      3    4   35  108  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B     79  126  126      3   35   99  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B     79  126  126      3    4   18   60  101  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     79  126  126      4   35  106  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     79  126  126      4   26  107  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     79  126  126     63  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     79  126  126     59  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     79  126  126     59  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     79  126  126     45  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     79  126  126     44  101  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     79  126  126     59  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     79  126  126     45  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     79  126  126     59  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     79  126  126     49  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     79  126  126     63  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     79  126  126     63  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     79  126  126     36  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     79  126  126     50  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     79  126  126     50  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     79  126  126     50  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     79  126  126     28  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     79  126  126     38  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     79  126  126     64  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     79  126  126     44  102  111  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     79  126  126      5   44  106  114  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     46  126  126      3    7   20   43   95  119  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B     14  126  126      3    7   20   43   64  117  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B      5  126  126      3    5   53  106  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B      5  126  126      3    5    5  108  119  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      5  126  126     13   42   88  106  118  122  123  124  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  86.38  (  59.13  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     64    102    111    114    119    122    123    124    126    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  50.79  80.95  88.10  90.48  94.44  96.83  97.62  98.41 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.53   0.62   0.72   0.92   1.09   1.21   1.20   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33
GDT RMS_ALL_AT   1.37   1.38   1.38   1.36   1.34   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33   1.33

# Checking swapping
#   possible swapping detected:  E     7_B      E     7_B
#   possible swapping detected:  E     8_B      E     8_B
#   possible swapping detected:  E    11_B      E    11_B
#   possible swapping detected:  E    19_B      E    19_B
#   possible swapping detected:  E    26_B      E    26_B
#   possible swapping detected:  D    39_B      D    39_B
#   possible swapping detected:  F    42_B      F    42_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  E    62_B      E    62_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  D    76_B      D    76_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  F   105_B      F   105_B
#   possible swapping detected:  E   106_B      E   106_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  F   113_B      F   113_B
#   possible swapping detected:  D   118_B      D   118_B
#   possible swapping detected:  E   128_B      E   128_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     1.695     0    0.276   0.892     3.534   68.929   62.646
LGA    E     8_B      E     8_B     1.406     0    0.052   1.037     5.389   81.429   61.164
LGA    A     9_B      A     9_B     1.326     0    0.060   0.083     1.494   81.429   81.429
LGA    K    10_B      K    10_B     1.264     0    0.045   0.754     4.556   81.429   66.402
LGA    E    11_B      E    11_B     1.122     0    0.046   0.752     4.741   85.952   69.841
LGA    A    12_B      A    12_B     0.968     0    0.029   0.029     1.250   88.214   86.857
LGA    I    13_B      I    13_B     0.823     0    0.015   0.475     1.357   90.476   87.083
LGA    I    14_B      I    14_B     0.477     0    0.037   0.210     1.524   97.619   91.845
LGA    A    15_B      A    15_B     0.173     0    0.055   0.079     0.350  100.000  100.000
LGA    M    16_B      M    16_B     0.506     0    0.016   0.946     4.659   95.238   81.071
LGA    L    17_B      L    17_B     0.142     0    0.012   0.075     0.601  100.000   97.619
LGA    K    18_B      K    18_B     0.402     0    0.062   0.701     1.802   95.238   93.810
LGA    E    19_B      E    19_B     0.662     0    0.046   0.283     1.049   90.595   90.529
LGA    W    20_B      W    20_B     0.592     0    0.031   0.249     0.773   90.476   93.197
LGA    Y    21_B      Y    21_B     0.565     0    0.028   0.169     0.718   90.476   94.444
LGA    D    22_B      D    22_B     0.849     0    0.064   0.077     0.976   90.476   90.476
LGA    A    23_B      A    23_B     0.958     0    0.022   0.028     1.095   88.214   88.667
LGA    M    24_B      M    24_B     0.874     0    0.034   0.594     2.063   90.476   86.131
LGA    N    25_B      N    25_B     0.852     0    0.046   0.062     1.076   90.476   89.345
LGA    E    26_B      E    26_B     0.884     0    0.009   0.129     1.039   85.952   88.466
LGA    G    27_B      G    27_B     1.145     0    0.039   0.039     1.273   81.429   81.429
LGA    D    28_B      D    28_B     1.102     0    0.045   0.124     1.719   81.429   80.357
LGA    M    29_B      M    29_B     1.053     0    0.034   0.615     1.457   83.690   84.881
LGA    E    30_B      E    30_B     1.019     0    0.059   0.995     3.782   81.429   72.646
LGA    K    31_B      K    31_B     0.902     0    0.068   1.030     5.748   88.214   67.884
LGA    L    32_B      L    32_B     0.626     0    0.039   0.123     0.675   90.476   92.857
LGA    R    33_B      R    33_B     0.747     0    0.060   1.103     6.011   90.476   73.377
LGA    S    34_B      S    34_B     0.589     0    0.106   0.125     0.902   90.476   90.476
LGA    L    35_B      L    35_B     0.251     0    0.098   0.115     0.409  100.000  100.000
LGA    V    36_B      V    36_B     0.325     0    0.026   0.067     0.451  100.000  100.000
LGA    D    37_B      D    37_B     0.475     0    0.019   0.083     0.909  100.000   95.238
LGA    P    38_B      P    38_B     0.416     0    0.042   0.053     0.629  100.000   97.279
LGA    D    39_B      D    39_B     0.417     0    0.020   0.729     2.298  100.000   92.024
LGA    A    40_B      A    40_B     0.143     0    0.027   0.026     0.230  100.000  100.000
LGA    S    41_B      S    41_B     0.138     0    0.098   0.091     0.319  100.000  100.000
LGA    F    42_B      F    42_B     0.396     0    0.049   0.098     0.445  100.000  100.000
LGA    V    43_B      V    43_B     0.714     0    0.066   0.077     1.122   90.476   87.891
LGA    D    44_B      D    44_B     1.509     0    0.117   0.478     2.570   75.000   69.940
LGA    A    45_B      A    45_B     3.906     0    0.124   0.121     5.097   43.452   40.000
LGA    R    46_B      R    46_B     4.016     0    0.029   1.754    13.411   45.119   22.987
LGA    T    47_B      T    47_B     2.182     0    0.031   0.046     2.895   69.048   66.122
LGA    N    48_B      N    48_B     1.542     0    0.026   1.084     3.609   81.667   69.702
LGA    Q    49_B      Q    49_B     0.708     0    0.055   0.449     3.417   88.214   78.148
LGA    V    50_B      V    50_B     0.354     0    0.044   0.070     0.701  100.000   97.279
LGA    Y    51_B      Y    51_B     0.272     0    0.034   0.055     0.576  100.000   99.206
LGA    D    52_B      D    52_B     0.296     0    0.039   0.174     0.688  100.000   98.810
LGA    K    53_B      K    53_B     0.274     0    0.029   0.119     0.589  100.000   96.825
LGA    D    54_B      D    54_B     0.244     0    0.049   0.242     0.514  100.000   98.810
LGA    Q    55_B      Q    55_B     0.173     0    0.046   0.079     0.488  100.000  100.000
LGA    F    56_B      F    56_B     0.253     0    0.018   0.073     0.834  100.000   96.537
LGA    L    57_B      L    57_B     0.390     0    0.019   0.067     0.505  100.000   98.810
LGA    Q    58_B      Q    58_B     0.349     0    0.034   1.631     6.253  100.000   73.175
LGA    M    59_B      M    59_B     0.393     0    0.033   0.117     0.718  100.000   96.429
LGA    I    60_B      I    60_B     0.481     0    0.041   0.158     0.910  100.000   95.238
LGA    K    61_B      K    61_B     0.496     0    0.017   0.322     2.051  100.000   89.894
LGA    E    62_B      E    62_B     0.299     0    0.043   0.211     0.919  100.000   97.884
LGA    A    63_B      A    63_B     0.161     0    0.019   0.037     0.260  100.000  100.000
LGA    L    64_B      L    64_B     0.168     0    0.024   0.043     0.417  100.000  100.000
LGA    E    65_B      E    65_B     0.146     0    0.076   0.154     0.680   97.619   97.884
LGA    Q    66_B      Q    66_B     0.171     0    0.040   0.793     1.995  100.000   93.968
LGA    D    67_B      D    67_B     0.198     0    0.041   0.794     3.198  100.000   84.940
LGA    L    68_B      L    68_B     0.174     0    0.026   0.052     0.701  100.000   98.810
LGA    K    69_B      K    69_B     0.116     0    0.066   0.874     4.358  100.000   86.085
LGA    V    70_B      V    70_B     0.577     0    0.097   1.058     2.851   90.595   83.265
LGA    E    71_B      E    71_B     0.397     0    0.038   0.589     1.579  100.000   93.862
LGA    V    72_B      V    72_B     0.153     0    0.027   0.067     0.252  100.000  100.000
LGA    K    73_B      K    73_B     0.208     0    0.056   0.507     1.623  100.000   92.804
LGA    S    74_B      S    74_B     0.243     0    0.032   0.042     0.516  100.000   98.413
LGA    I    75_B      I    75_B     0.339     0    0.012   0.105     0.595   95.238   97.619
LGA    D    76_B      D    76_B     0.808     0    0.052   0.971     4.447   92.857   78.571
LGA    I    77_B      I    77_B     0.614     0    0.067   0.152     2.268   95.238   87.381
LGA    E    78_B      E    78_B     1.047     0    0.078   0.337     3.520   81.786   70.952
LGA    Q    79_B      Q    79_B     3.944     0    0.063   0.950    11.979   46.786   23.492
LGA    Q    80_B      Q    80_B     3.212     0    0.045   1.525     3.968   53.571   55.026
LGA    P    81_B      P    81_B     2.740     0    0.195   0.324     3.392   53.571   55.102
LGA    D    82_B      D    82_B     4.045     0    0.593   1.261     5.359   37.500   44.167
LGA    G    83_B      G    83_B     2.209     0    0.149   0.149     2.328   64.762   64.762
LGA    D    84_B      D    84_B     1.981     0    0.138   0.211     3.371   75.119   65.298
LGA    V    85_B      V    85_B     0.274     0    0.065   0.137     0.794   97.619   95.918
LGA    V    86_B      V    86_B     0.581     0    0.035   0.175     1.068   92.857   90.544
LGA    I    87_B      I    87_B     0.525     0    0.048   0.193     0.829   95.238   92.857
LGA    V    88_B      V    88_B     0.509     0    0.035   0.082     0.758   92.857   91.837
LGA    K    89_B      K    89_B     0.513     0    0.033   0.726     4.398   95.238   75.608
LGA    V    90_B      V    90_B     0.319     0    0.012   0.036     0.422  100.000  100.000
LGA    K    91_B      K    91_B     0.316     0    0.065   0.214     1.261  100.000   93.757
LGA    V    92_B      V    92_B     0.139     0    0.032   1.069     2.393  100.000   89.932
LGA    R    93_B      R    93_B     0.211     0    0.104   0.269     1.367  100.000   93.203
LGA    A    94_B      A    94_B     0.366     0    0.067   0.080     0.462  100.000  100.000
LGA    T    95_B      T    95_B     0.687     0    0.073   1.050     2.465   92.857   85.646
LGA    M    96_B      M    96_B     0.771     0    0.049   0.949     2.653   90.476   79.940
LGA    V    97_B      V    97_B     0.975     0    0.038   0.124     1.066   88.214   87.891
LGA    R    98_B      R    98_B     1.007     0    0.117   1.233     7.098   83.690   60.000
LGA    Q   101_B      Q   101_B     0.911     0    0.200   0.776     3.490   88.333   80.106
LGA    E   102_B      E   102_B     1.071     0    0.076   0.598     2.041   81.429   78.624
LGA    H   103_B      H   103_B     0.840     0    0.096   0.246     1.688   90.476   86.048
LGA    V   104_B      V   104_B     0.926     0    0.073   0.135     1.583   88.214   84.082
LGA    F   105_B      F   105_B     0.500     0    0.063   0.100     1.881   97.619   88.268
LGA    E   106_B      E   106_B     0.577     0    0.097   1.075     5.629   88.214   65.450
LGA    V   107_B      V   107_B     0.584     0    0.038   0.096     0.912   95.238   93.197
LGA    V   108_B      V   108_B     0.543     0    0.031   0.131     0.785   90.476   90.476
LGA    D   109_B      D   109_B     0.569     0    0.029   0.061     0.756   92.857   94.048
LGA    T   110_B      T   110_B     0.624     0    0.053   0.059     0.843   92.857   91.837
LGA    Y   111_B      Y   111_B     0.451     0    0.031   0.071     0.725   95.238   92.063
LGA    E   112_B      E   112_B     0.345     0    0.037   0.291     1.258   97.619   95.820
LGA    F   113_B      F   113_B     0.460     0    0.059   0.192     1.408  100.000   89.827
LGA    R   114_B      R   114_B     0.425     0    0.056   0.465     1.956   95.238   89.048
LGA    R   115_B      R   115_B     0.813     0    0.032   1.193     3.363   90.476   77.316
LGA    K   116_B      K   116_B     0.670     0    0.064   0.663     1.324   90.476   88.466
LGA    G   117_B      G   117_B     0.962     0    0.029   0.029     0.962   90.476   90.476
LGA    D   118_B      D   118_B     0.799     0    0.106   0.581     2.002   88.214   82.798
LGA    S   119_B      S   119_B     0.812     0    0.101   0.138     1.680   92.857   86.190
LGA    W   120_B      W   120_B     0.787     0    0.037   0.171     1.279   90.476   84.014
LGA    K   121_B      K   121_B     0.409     0    0.040   0.153     0.873   97.619   93.651
LGA    I   122_B      I   122_B     0.531     0    0.047   0.108     0.640   92.857   94.048
LGA    V   123_B      V   123_B     0.366     0    0.060   0.081     0.450  100.000  100.000
LGA    K   124_B      K   124_B     0.424     0    0.034   0.121     0.810  100.000   97.884
LGA    L   125_B      L   125_B     0.479     0    0.113   0.134     0.479  100.000  100.000
LGA    V   126_B      V   126_B     0.470     0    0.023   0.075     0.480  100.000  100.000
LGA    S   127_B      S   127_B     0.611     0    0.072   0.169     1.017   88.214   88.968
LGA    E   128_B      E   128_B     0.790     0    0.122   0.768     3.800   85.952   75.820
LGA    I   129_B      I   129_B     2.199     0    0.071   0.138     4.290   59.524   52.321
LGA    T   130_B      T   130_B     4.419     0    0.643   0.930     6.203   32.619   31.701
LGA    Q   131_B      Q   131_B     5.124     0    0.013   1.050    11.907   37.738   18.677
LGA    L   132_B      L   132_B     2.872     0    0.632   0.527     9.477   60.952   36.845
LGA    G   133_B      G   133_B     2.534     0    0.360   0.360     2.944   60.952   60.952
LGA    S   134_B      S   134_B     3.532     0    0.492   0.774     4.381   48.452   48.016

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      126     504    504  100.00    1024   1024  100.00               126
SUMMARY(RMSD_GDC):     1.328          1.298                  2.066           88.723   83.649

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    124    1.20    92.460    96.161     9.543

LGA_LOCAL      RMSD:   1.199  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.334  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   1.328  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.576687 * X  +   0.055677 * Y  +  -0.815066 * Z  +  12.933387
  Y_new =   0.390766 * X  +   0.857349 * Y  +   0.335045 * Z  +  11.365546
  Z_new =   0.717450 * X  +  -0.511716 * Y  +   0.472665 * Z  +  26.356461 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.595537 -0.800135 -0.825048   [DEG:   34.1218  -45.8444  -47.2718 ]
ZXZ: -1.960805  1.078484  2.190355   [DEG: -112.3458   61.7926  125.4981 ]
 
# END of job
