
#######################################################
#                                                     #
#                        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       1.39     1.39
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       1.39     1.39
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72       7_B - 78_B        0.89     1.59
  LCS_AVERAGE:     47.05

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     72  126  126     29   98  111  114  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     72  126  126     42   97  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     72  126  126     49  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     72  126  126     49  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     72  126  126     49  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     72  126  126     50  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     72  126  126     69  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     72  126  126     56  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     72  126  126     49  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     72  126  126     49  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     72  126  126     49  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     72  126  126     49  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     72  126  126     49  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     72  126  126     49  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     72  126  126     49  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     72  126  126     49  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     72  126  126     55  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     72  126  126     69  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     72  126  126     58  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     72  126  126     69  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     72  126  126     15   72  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B     72  126  126      4    5    8   15   60  116  117  123  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B     72  126  126      3    6   26   44  108  116  118  123  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     72  126  126     26   66  111  115  119  120  122  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     72  126  126      4   46  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     72  126  126     62  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     72  126  126     32  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B     72  126  126     66  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B     72  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B     72  126  126     10   95  110  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B     33  126  126      3    4    4   56   86  119  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B     33  126  126      3    7   37  104  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B     33  126  126      6   35   96  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B     45  126  126      3    4    8   34  110  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     46  126  126      4   39   96  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     46  126  126      4   25  100  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     46  126  126     59  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     46  126  126     63  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     46  126  126     63  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     46  126  126     50  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     46  126  126     42  101  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     46  126  126     42  101  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     46  126  126     35  101  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     46  126  126     42  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     46  126  126     38  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     46  126  126     12  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     46  126  126     66  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     46  126  126     40  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     46  126  126     49  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     46  126  126     34   99  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     46  126  126     49  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     46  126  126     70  102  111  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     46  126  126      4   49  109  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     46  126  126      4    5   20   43  112  119  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B     11  126  126      3    7   20   32   64  116  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B      5  126  126     11   72  100  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B      5  126  126      3   28   91  115  119  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      5  126  126      6   33   55   87  107  120  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  82.35  (  47.05  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     70    102    111    115    119    120    123    124    125    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  55.56  80.95  88.10  91.27  94.44  95.24  97.62  98.41  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.50   0.63   0.78   0.93   1.01   1.27   1.28   1.32   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39
GDT RMS_ALL_AT   1.45   1.45   1.46   1.42   1.40   1.40   1.40   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39   1.39

# 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    37_B      D    37_B
#   possible swapping detected:  F    42_B      F    42_B
#   possible swapping detected:  D    44_B      D    44_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:  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     1.933     0    0.300   0.688     3.748   68.929   69.841
LGA    E     8_B      E     8_B     1.685     0    0.054   1.037     5.391   77.143   59.259
LGA    A     9_B      A     9_B     1.484     0    0.054   0.076     1.603   79.286   78.000
LGA    K    10_B      K    10_B     1.469     0    0.045   0.181     1.840   79.286   76.667
LGA    E    11_B      E    11_B     1.332     0    0.045   0.727     4.918   81.429   64.497
LGA    A    12_B      A    12_B     1.105     0    0.027   0.030     1.391   85.952   85.048
LGA    I    13_B      I    13_B     0.932     0    0.015   0.486     1.439   88.214   85.952
LGA    I    14_B      I    14_B     0.592     0    0.037   0.208     1.566   95.238   90.655
LGA    A    15_B      A    15_B     0.282     0    0.058   0.081     0.425  100.000  100.000
LGA    M    16_B      M    16_B     0.507     0    0.020   0.847     3.436   97.619   88.988
LGA    L    17_B      L    17_B     0.232     0    0.008   0.047     0.677  100.000   96.429
LGA    K    18_B      K    18_B     0.329     0    0.061   0.303     1.202   97.619   95.820
LGA    E    19_B      E    19_B     0.610     0    0.045   0.372     1.116   92.857   89.524
LGA    W    20_B      W    20_B     0.526     0    0.020   0.309     1.316   92.857   93.265
LGA    Y    21_B      Y    21_B     0.495     0    0.035   0.159     0.549   95.238   98.413
LGA    D    22_B      D    22_B     0.770     0    0.055   0.066     0.917   90.476   90.476
LGA    A    23_B      A    23_B     0.900     0    0.021   0.028     1.074   88.214   88.667
LGA    M    24_B      M    24_B     0.795     0    0.037   0.839     2.374   90.476   81.845
LGA    N    25_B      N    25_B     0.816     0    0.041   0.088     1.059   90.476   89.345
LGA    E    26_B      E    26_B     0.877     0    0.016   0.124     1.053   85.952   88.466
LGA    G    27_B      G    27_B     1.192     0    0.036   0.036     1.322   81.429   81.429
LGA    D    28_B      D    28_B     1.156     0    0.052   0.134     1.795   81.429   80.357
LGA    M    29_B      M    29_B     1.022     0    0.034   0.609     1.443   81.429   82.560
LGA    E    30_B      E    30_B     0.995     0    0.060   0.979     3.655   85.952   74.656
LGA    K    31_B      K    31_B     0.878     0    0.069   1.032     5.826   90.476   68.889
LGA    L    32_B      L    32_B     0.597     0    0.040   0.099     0.661   90.476   94.048
LGA    R    33_B      R    33_B     0.688     0    0.053   1.132     6.177   90.476   72.814
LGA    S    34_B      S    34_B     0.553     0    0.103   0.125     0.871   90.476   90.476
LGA    L    35_B      L    35_B     0.219     0    0.099   0.132     0.411  100.000  100.000
LGA    V    36_B      V    36_B     0.261     0    0.025   0.065     0.411  100.000  100.000
LGA    D    37_B      D    37_B     0.417     0    0.015   0.074     0.805  100.000   95.238
LGA    P    38_B      P    38_B     0.468     0    0.050   0.058     0.713  100.000   95.918
LGA    D    39_B      D    39_B     0.379     0    0.028   0.643     1.853  100.000   93.095
LGA    A    40_B      A    40_B     0.169     0    0.026   0.025     0.242  100.000  100.000
LGA    S    41_B      S    41_B     0.085     0    0.099   0.092     0.327  100.000  100.000
LGA    F    42_B      F    42_B     0.376     0    0.039   0.093     0.487  100.000  100.000
LGA    V    43_B      V    43_B     0.789     0    0.067   0.076     1.271   90.476   86.599
LGA    D    44_B      D    44_B     1.884     0    0.125   0.644     3.155   70.952   67.024
LGA    A    45_B      A    45_B     4.540     0    0.132   0.132     5.797   33.095   30.762
LGA    R    46_B      R    46_B     4.570     0    0.033   1.714    14.186   38.810   18.745
LGA    T    47_B      T    47_B     2.399     0    0.042   0.111     3.151   67.262   64.082
LGA    N    48_B      N    48_B     1.898     0    0.031   1.078     4.332   75.119   62.798
LGA    Q    49_B      Q    49_B     0.706     0    0.055   0.684     4.266   85.952   67.354
LGA    V    50_B      V    50_B     0.399     0    0.026   0.057     0.737  100.000   95.918
LGA    Y    51_B      Y    51_B     0.277     0    0.019   0.097     0.612  100.000   98.413
LGA    D    52_B      D    52_B     0.247     0    0.041   0.175     0.621  100.000   98.810
LGA    K    53_B      K    53_B     0.143     0    0.030   0.117     0.547  100.000   96.825
LGA    D    54_B      D    54_B     0.125     0    0.053   0.173     0.386  100.000  100.000
LGA    Q    55_B      Q    55_B     0.191     0    0.045   0.083     0.535  100.000   97.884
LGA    F    56_B      F    56_B     0.153     0    0.019   0.069     0.661  100.000   97.403
LGA    L    57_B      L    57_B     0.411     0    0.019   0.064     0.567   97.619   97.619
LGA    Q    58_B      Q    58_B     0.473     0    0.033   1.622     6.334  100.000   71.534
LGA    M    59_B      M    59_B     0.363     0    0.033   0.167     0.824  100.000   96.429
LGA    I    60_B      I    60_B     0.460     0    0.047   0.138     0.869  100.000   96.429
LGA    K    61_B      K    61_B     0.574     0    0.017   0.311     2.260   95.238   86.772
LGA    E    62_B      E    62_B     0.401     0    0.049   0.199     1.080  100.000   94.762
LGA    A    63_B      A    63_B     0.103     0    0.025   0.044     0.158  100.000  100.000
LGA    L    64_B      L    64_B     0.151     0    0.020   0.046     0.385  100.000  100.000
LGA    E    65_B      E    65_B     0.274     0    0.072   0.165     1.039   97.619   92.698
LGA    Q    66_B      Q    66_B     0.161     0    0.041   0.894     2.081  100.000   93.069
LGA    D    67_B      D    67_B     0.385     0    0.043   0.782     3.452  100.000   82.798
LGA    L    68_B      L    68_B     0.227     0    0.031   0.054     0.695  100.000   98.810
LGA    K    69_B      K    69_B     0.243     0    0.061   0.874     4.628  100.000   83.704
LGA    V    70_B      V    70_B     0.588     0    0.068   0.090     1.034   92.857   90.544
LGA    E    71_B      E    71_B     0.507     0    0.039   0.612     1.660   95.238   90.688
LGA    V    72_B      V    72_B     0.309     0    0.031   0.054     0.421  100.000  100.000
LGA    K    73_B      K    73_B     0.424     0    0.045   0.429     1.785  100.000   92.804
LGA    S    74_B      S    74_B     0.451     0    0.035   0.051     0.611   97.619   96.825
LGA    I    75_B      I    75_B     0.547     0    0.048   0.153     1.135   90.595   94.107
LGA    D    76_B      D    76_B     1.044     0    0.061   0.649     3.128   88.214   80.952
LGA    I    77_B      I    77_B     0.721     0    0.102   0.141     2.284   92.976   84.048
LGA    E    78_B      E    78_B     1.090     0    0.080   0.609     4.608   81.786   61.958
LGA    Q    79_B      Q    79_B     4.190     0    0.051   0.948    11.964   41.905   20.847
LGA    Q    80_B      Q    80_B     3.404     0    0.047   1.564     4.070   51.905   54.550
LGA    P    81_B      P    81_B     2.611     0    0.202   0.351     3.344   53.571   55.102
LGA    D    82_B      D    82_B     4.180     0    0.600   1.184     5.524   36.310   41.726
LGA    G    83_B      G    83_B     2.393     0    0.155   0.155     2.566   62.857   62.857
LGA    D    84_B      D    84_B     2.163     0    0.146   0.222     3.604   73.095   62.560
LGA    V    85_B      V    85_B     0.520     0    0.070   0.124     0.828   90.476   93.197
LGA    V    86_B      V    86_B     0.778     0    0.026   0.170     1.189   90.476   87.891
LGA    I    87_B      I    87_B     0.693     0    0.052   0.185     1.025   92.857   90.536
LGA    V    88_B      V    88_B     0.742     0    0.028   0.071     1.045   90.476   89.184
LGA    K    89_B      K    89_B     0.762     0    0.020   0.663     3.520   90.476   76.720
LGA    V    90_B      V    90_B     0.441     0    0.023   0.025     0.476  100.000  100.000
LGA    K    91_B      K    91_B     0.396     0    0.069   0.761     4.780  100.000   76.085
LGA    V    92_B      V    92_B     0.572     0    0.068   0.076     0.698   95.238   93.197
LGA    R    93_B      R    93_B     0.372     0    0.097   0.294     1.430  100.000   93.160
LGA    A    94_B      A    94_B     0.396     0    0.049   0.057     0.612  100.000   98.095
LGA    T    95_B      T    95_B     0.646     0    0.082   1.085     2.189   92.857   84.490
LGA    M    96_B      M    96_B     0.655     0    0.074   0.363     1.674   90.476   86.012
LGA    V    97_B      V    97_B     1.037     0    0.037   0.129     1.237   88.333   85.374
LGA    R    98_B      R    98_B     0.952     0    0.110   1.224     6.703   83.810   61.299
LGA    Q   101_B      Q   101_B     1.165     0    0.188   0.743     3.853   83.690   75.450
LGA    E   102_B      E   102_B     1.198     0    0.074   0.732     2.420   81.429   76.772
LGA    H   103_B      H   103_B     0.971     0    0.128   0.230     2.160   90.595   81.714
LGA    V   104_B      V   104_B     0.996     0    0.025   0.079     1.763   85.952   82.789
LGA    F   105_B      F   105_B     0.917     0    0.043   1.182     3.323   92.857   81.429
LGA    E   106_B      E   106_B     0.496     0    0.093   1.051     5.099   95.238   68.889
LGA    V   107_B      V   107_B     0.442     0    0.044   0.089     0.766  100.000   95.918
LGA    V   108_B      V   108_B     0.414     0    0.025   0.153     0.547   95.238   97.279
LGA    D   109_B      D   109_B     0.564     0    0.016   0.078     0.697   90.476   95.238
LGA    T   110_B      T   110_B     0.765     0    0.059   0.067     1.064   90.476   89.184
LGA    Y   111_B      Y   111_B     0.576     0    0.025   0.102     0.862   90.476   90.476
LGA    E   112_B      E   112_B     0.504     0    0.042   0.273     1.014   90.476   92.646
LGA    F   113_B      F   113_B     0.576     0    0.057   0.197     1.398   90.476   86.364
LGA    R   114_B      R   114_B     0.563     0    0.050   0.452     1.623   90.476   88.918
LGA    R   115_B      R   115_B     0.840     0    0.034   1.174     2.451   88.214   78.528
LGA    K   116_B      K   116_B     0.798     0    0.058   0.670     1.520   90.476   87.513
LGA    G   117_B      G   117_B     1.143     0    0.034   0.034     1.143   85.952   85.952
LGA    D   118_B      D   118_B     0.818     0    0.095   0.565     2.564   92.857   81.964
LGA    S   119_B      S   119_B     1.003     0    0.123   0.170     2.154   92.976   84.921
LGA    W   120_B      W   120_B     0.644     0    0.033   0.198     1.453   92.857   85.986
LGA    K   121_B      K   121_B     0.384     0    0.038   0.166     0.913   97.619   93.651
LGA    I   122_B      I   122_B     0.508     0    0.058   0.100     0.576   95.238   94.048
LGA    V   123_B      V   123_B     0.280     0    0.055   0.074     0.429  100.000  100.000
LGA    K   124_B      K   124_B     0.378     0    0.033   0.151     0.958  100.000   97.884
LGA    L   125_B      L   125_B     0.516     0    0.113   0.137     0.516   97.619   98.810
LGA    V   126_B      V   126_B     0.603     0    0.030   0.066     0.686   90.476   90.476
LGA    S   127_B      S   127_B     0.535     0    0.078   0.185     0.604   92.857   92.063
LGA    E   128_B      E   128_B     0.505     0    0.125   0.777     3.075   90.476   83.122
LGA    I   129_B      I   129_B     1.719     0    0.066   0.129     4.160   69.048   57.976
LGA    T   130_B      T   130_B     3.857     0    0.647   0.922     5.857   38.333   36.463
LGA    Q   131_B      Q   131_B     4.811     0    0.020   1.033    12.166   42.262   20.688
LGA    L   132_B      L   132_B     2.137     0    0.627   0.524     9.071   70.952   43.393
LGA    G   133_B      G   133_B     2.015     0    0.367   0.367     2.258   68.929   68.929
LGA    S   134_B      S   134_B     4.581     0    0.577   0.523     6.327   34.762   28.889

# 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):     1.390          1.361                  2.128           87.982   82.833

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    124    1.28    92.659    96.080     8.982

LGA_LOCAL      RMSD:   1.281  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.394  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   1.390  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.598512 * X  +   0.062914 * Y  +   0.798639 * Z  +   9.894243
  Y_new =  -0.568132 * X  +  -0.736186 * Y  +  -0.367772 * Z  +  13.499155
  Z_new =   0.564809 * X  +  -0.673849 * Y  +   0.476360 * Z  +  26.930132 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.382229 -0.600201 -0.955439   [DEG: -136.4917  -34.3890  -54.7426 ]
ZXZ:  1.139246  1.074286  2.443999   [DEG:   65.2740   61.5521  140.0308 ]
 
# END of job
