
#######################################################
#                                                     #
#                        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:    72       7_B - 78_B        0.87     1.52
  LCS_AVERAGE:     47.07

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     32  105  111  115  120  121  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     45  106  111  115  120  121  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     45  106  111  115  120  121  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     45  106  111  115  120  121  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     45  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     65  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     55  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     55  106  111  115  120  121  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     45  106  111  115  120  121  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     45  106  111  115  120  121  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     45  106  111  115  120  121  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     53  106  111  115  120  121  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     45  106  111  115  120  121  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     45  106  111  115  120  121  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     44  106  111  115  120  121  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     42  106  111  115  120  121  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     54  106  111  115  120  121  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     67  106  111  115  120  121  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     55  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     21   78  111  115  120  121  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   11   16   68  116  119  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B     72  126  126      3    7   27   69  114  116  119  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     72  126  126     21   77  111  115  120  121  123  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   63  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     53  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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      8   97  111  115  120  121  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   17   48  103  121  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   12   44  109  120  121  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      5   43   95  113  120  121  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   11   36  111  121  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      7   42   99  115  120  121  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   33  105  115  120  121  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     58  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     60  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     61  106  111  115  120  121  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     67  106  111  115  120  121  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     61  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     61  106  111  115  120  121  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     67  106  111  115  120  121  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     64  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     60  106  111  115  120  121  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     32  106  111  115  120  121  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     28  106  111  115  120  121  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     17  106  111  115  120  121  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     67  106  111  115  120  121  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     30  100  111  115  120  121  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     50  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     67  106  111  115  120  121  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     64  106  111  115  120  121  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   34  109  115  120  121  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    6   20   43  109  120  123  124  125  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   37   65  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     13   76  106  115  120  121  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    5   78  105  120  121  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     11   52   99  115  120  121  123  124  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  82.36  (  47.07  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     67    106    111    115    120    121    123    124    125    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  53.17  84.13  88.10  91.27  95.24  96.03  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   0.51   0.59   0.78   0.95   1.02   1.21   1.22   1.26   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   1.40   1.39   1.40   1.36   1.34   1.34   1.34   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

# Checking swapping
#   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:  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   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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     1.810     0    0.282   1.088     3.026   68.929   69.841
LGA    E     8_B      E     8_B     1.488     0    0.053   1.005     5.186   79.286   60.212
LGA    A     9_B      A     9_B     1.398     0    0.052   0.073     1.514   81.429   79.714
LGA    K    10_B      K    10_B     1.375     0    0.041   0.159     1.612   81.429   80.476
LGA    E    11_B      E    11_B     1.185     0    0.047   0.749     4.748   83.690   68.836
LGA    A    12_B      A    12_B     1.060     0    0.028   0.030     1.357   85.952   85.048
LGA    I    13_B      I    13_B     0.925     0    0.016   0.492     1.462   90.476   87.083
LGA    I    14_B      I    14_B     0.575     0    0.037   0.209     1.560   95.238   90.655
LGA    A    15_B      A    15_B     0.244     0    0.055   0.079     0.391  100.000  100.000
LGA    M    16_B      M    16_B     0.534     0    0.021   0.830     3.447   97.619   88.988
LGA    L    17_B      L    17_B     0.227     0    0.009   0.049     0.808  100.000   96.429
LGA    K    18_B      K    18_B     0.348     0    0.064   0.296     1.317   97.619   96.878
LGA    E    19_B      E    19_B     0.648     0    0.042   0.305     1.085   92.857   90.529
LGA    W    20_B      W    20_B     0.515     0    0.017   0.279     0.845   90.476   95.238
LGA    Y    21_B      Y    21_B     0.498     0    0.029   0.161     0.634   95.238   96.825
LGA    D    22_B      D    22_B     0.743     0    0.064   0.070     0.866   90.476   90.476
LGA    A    23_B      A    23_B     0.868     0    0.020   0.029     0.991   90.476   90.476
LGA    M    24_B      M    24_B     0.841     0    0.033   0.615     2.043   90.476   86.131
LGA    N    25_B      N    25_B     0.799     0    0.046   0.083     1.063   90.476   89.345
LGA    E    26_B      E    26_B     0.767     0    0.007   0.113     0.960   90.476   91.534
LGA    G    27_B      G    27_B     1.114     0    0.041   0.041     1.234   81.429   81.429
LGA    D    28_B      D    28_B     1.087     0    0.046   0.117     1.700   83.690   81.488
LGA    M    29_B      M    29_B     0.939     0    0.036   0.613     1.452   88.214   87.143
LGA    E    30_B      E    30_B     0.964     0    0.048   0.934     2.514   90.476   79.101
LGA    K    31_B      K    31_B     0.819     0    0.067   1.046     5.851   90.476   68.889
LGA    L    32_B      L    32_B     0.502     0    0.042   0.106     0.575   90.476   95.238
LGA    R    33_B      R    33_B     0.600     0    0.049   1.118     5.743   92.857   76.061
LGA    S    34_B      S    34_B     0.475     0    0.113   0.130     0.836   95.238   96.825
LGA    L    35_B      L    35_B     0.202     0    0.095   0.125     0.397  100.000  100.000
LGA    V    36_B      V    36_B     0.237     0    0.024   0.065     0.329  100.000  100.000
LGA    D    37_B      D    37_B     0.347     0    0.018   0.059     0.841  100.000   96.429
LGA    P    38_B      P    38_B     0.272     0    0.048   0.065     0.483  100.000  100.000
LGA    D    39_B      D    39_B     0.209     0    0.021   0.673     1.815  100.000   94.286
LGA    A    40_B      A    40_B     0.187     0    0.019   0.019     0.211  100.000  100.000
LGA    S    41_B      S    41_B     0.269     0    0.095   0.086     0.312  100.000  100.000
LGA    F    42_B      F    42_B     0.381     0    0.043   0.099     0.432  100.000  100.000
LGA    V    43_B      V    43_B     0.823     0    0.059   0.072     1.318   90.476   86.599
LGA    D    44_B      D    44_B     1.783     0    0.119   0.671     3.049   72.976   68.036
LGA    A    45_B      A    45_B     4.438     0    0.142   0.142     5.642   35.952   33.048
LGA    R    46_B      R    46_B     4.478     0    0.031   1.395    12.682   40.238   20.130
LGA    T    47_B      T    47_B     2.299     0    0.050   0.084     3.044   69.048   65.102
LGA    N    48_B      N    48_B     1.880     0    0.022   1.074     4.132   77.143   63.869
LGA    Q    49_B      Q    49_B     0.709     0    0.058   0.737     4.334   85.952   66.667
LGA    V    50_B      V    50_B     0.358     0    0.018   0.061     0.679  100.000   97.279
LGA    Y    51_B      Y    51_B     0.346     0    0.018   0.109     0.769  100.000   96.825
LGA    D    52_B      D    52_B     0.299     0    0.042   0.208     0.884  100.000   98.810
LGA    K    53_B      K    53_B     0.083     0    0.024   0.107     0.443  100.000  100.000
LGA    D    54_B      D    54_B     0.081     0    0.045   0.237     0.569  100.000   98.810
LGA    Q    55_B      Q    55_B     0.306     0    0.046   0.094     0.617  100.000   96.825
LGA    F    56_B      F    56_B     0.134     0    0.018   0.062     0.672  100.000   97.403
LGA    L    57_B      L    57_B     0.371     0    0.022   0.069     0.535   97.619   98.810
LGA    Q    58_B      Q    58_B     0.501     0    0.035   1.638     6.459   97.619   70.476
LGA    M    59_B      M    59_B     0.401     0    0.034   0.172     0.864  100.000   97.619
LGA    I    60_B      I    60_B     0.459     0    0.036   0.176     0.902  100.000   97.619
LGA    K    61_B      K    61_B     0.420     0    0.018   0.320     2.011  100.000   89.894
LGA    E    62_B      E    62_B     0.201     0    0.041   0.216     0.908  100.000   98.942
LGA    A    63_B      A    63_B     0.168     0    0.017   0.037     0.201  100.000  100.000
LGA    L    64_B      L    64_B     0.312     0    0.021   0.064     0.492  100.000  100.000
LGA    E    65_B      E    65_B     0.249     0    0.069   0.142     0.568   97.619   97.884
LGA    Q    66_B      Q    66_B     0.137     0    0.034   0.621     1.488  100.000   95.873
LGA    D    67_B      D    67_B     0.420     0    0.049   0.784     3.185  100.000   82.798
LGA    L    68_B      L    68_B     0.365     0    0.028   0.056     0.383  100.000  100.000
LGA    K    69_B      K    69_B     0.189     0    0.060   0.880     4.539  100.000   84.550
LGA    V    70_B      V    70_B     0.562     0    0.070   0.091     0.929   92.857   91.837
LGA    E    71_B      E    71_B     0.454     0    0.035   0.653     2.171  100.000   93.968
LGA    V    72_B      V    72_B     0.320     0    0.032   0.053     0.424  100.000  100.000
LGA    K    73_B      K    73_B     0.544     0    0.038   0.103     0.963   92.857   91.534
LGA    S    74_B      S    74_B     0.582     0    0.029   0.053     0.722   90.476   90.476
LGA    I    75_B      I    75_B     0.693     0    0.069   0.168     1.371   85.952   89.405
LGA    D    76_B      D    76_B     1.027     0    0.058   0.694     2.534   88.214   80.714
LGA    I    77_B      I    77_B     0.659     0    0.095   0.138     2.255   92.976   85.179
LGA    E    78_B      E    78_B     1.062     0    0.079   0.610     4.595   81.786   61.958
LGA    Q    79_B      Q    79_B     4.083     0    0.048   0.888    11.984   43.690   21.640
LGA    Q    80_B      Q    80_B     3.261     0    0.052   1.541     3.832   53.571   56.825
LGA    P    81_B      P    81_B     2.724     0    0.201   0.365     3.370   53.571   55.102
LGA    D    82_B      D    82_B     4.099     0    0.603   1.168     5.520   36.310   41.726
LGA    G    83_B      G    83_B     2.407     0    0.153   0.153     2.507   62.857   62.857
LGA    D    84_B      D    84_B     2.051     0    0.149   0.262     3.459   73.095   65.179
LGA    V    85_B      V    85_B     0.496     0    0.071   0.149     0.798   92.857   94.558
LGA    V    86_B      V    86_B     0.760     0    0.028   0.180     1.198   90.476   89.184
LGA    I    87_B      I    87_B     0.669     0    0.054   0.197     1.081   92.857   90.536
LGA    V    88_B      V    88_B     0.705     0    0.029   0.072     0.965   90.476   90.476
LGA    K    89_B      K    89_B     0.735     0    0.024   0.676     3.666   92.857   77.778
LGA    V    90_B      V    90_B     0.456     0    0.023   0.030     0.485  100.000  100.000
LGA    K    91_B      K    91_B     0.410     0    0.066   0.781     4.936  100.000   76.085
LGA    V    92_B      V    92_B     0.615     0    0.068   0.072     0.666   92.857   91.837
LGA    R    93_B      R    93_B     0.438     0    0.092   0.213     0.991  100.000   96.537
LGA    A    94_B      A    94_B     0.550     0    0.041   0.048     0.651   95.238   94.286
LGA    T    95_B      T    95_B     0.481     0    0.051   1.055     2.161   95.238   85.850
LGA    M    96_B      M    96_B     0.816     0    0.047   1.027     2.000   90.476   83.869
LGA    V    97_B      V    97_B     0.812     0    0.037   0.137     1.151   95.238   91.905
LGA    R    98_B      R    98_B     0.491     0    0.123   1.388     8.917   92.976   53.896
LGA    Q   101_B      Q   101_B     0.718     0    0.190   0.913     3.737   90.595   82.381
LGA    E   102_B      E   102_B     0.797     0    0.055   0.577     1.882   90.476   85.556
LGA    H   103_B      H   103_B     0.710     0    0.126   0.184     1.609   92.857   86.952
LGA    V   104_B      V   104_B     0.748     0    0.027   0.075     1.490   90.476   87.891
LGA    F   105_B      F   105_B     0.714     0    0.047   1.208     3.719   95.238   80.433
LGA    E   106_B      E   106_B     0.464     0    0.076   1.078     5.223   95.238   68.889
LGA    V   107_B      V   107_B     0.625     0    0.073   1.018     2.443   92.857   84.354
LGA    V   108_B      V   108_B     0.430     0    0.010   0.168     0.601   92.857   94.558
LGA    D   109_B      D   109_B     0.622     0    0.011   0.118     0.680   90.476   90.476
LGA    T   110_B      T   110_B     0.777     0    0.068   0.076     1.101   90.476   89.184
LGA    Y   111_B      Y   111_B     0.579     0    0.024   0.082     0.911   90.476   90.476
LGA    E   112_B      E   112_B     0.462     0    0.037   0.320     1.314   92.857   92.646
LGA    F   113_B      F   113_B     0.564     0    0.057   0.195     1.495   90.476   86.364
LGA    R   114_B      R   114_B     0.579     0    0.062   0.581     2.387   90.476   85.065
LGA    R   115_B      R   115_B     0.879     0    0.032   1.285     2.658   88.214   80.390
LGA    K   116_B      K   116_B     0.941     0    0.053   0.665     1.484   85.952   86.455
LGA    G   117_B      G   117_B     1.376     0    0.019   0.019     1.376   81.429   81.429
LGA    D   118_B      D   118_B     0.842     0    0.093   0.584     2.634   90.595   80.833
LGA    S   119_B      S   119_B     1.087     0    0.140   0.642     2.105   88.214   81.746
LGA    W   120_B      W   120_B     0.630     0    0.031   0.198     1.436   92.857   86.633
LGA    K   121_B      K   121_B     0.360     0    0.033   0.157     0.969   97.619   93.651
LGA    I   122_B      I   122_B     0.548     0    0.044   0.101     0.657   92.857   91.667
LGA    V   123_B      V   123_B     0.355     0    0.058   0.077     0.508  100.000   98.639
LGA    K   124_B      K   124_B     0.398     0    0.033   0.140     0.712  100.000   97.884
LGA    L   125_B      L   125_B     0.526     0    0.113   0.133     0.546   95.238   94.048
LGA    V   126_B      V   126_B     0.541     0    0.027   0.082     0.705   95.238   93.197
LGA    S   127_B      S   127_B     0.503     0    0.067   0.166     0.689   92.857   92.063
LGA    E   128_B      E   128_B     0.577     0    0.135   0.991     3.705   90.476   76.667
LGA    I   129_B      I   129_B     1.921     0    0.062   0.166     4.485   65.357   55.238
LGA    T   130_B      T   130_B     4.019     0    0.646   0.943     5.969   36.786   34.694
LGA    Q   131_B      Q   131_B     4.833     0    0.025   1.051    11.834   40.833   20.053
LGA    L   132_B      L   132_B     2.047     0    0.630   0.533     8.931   68.810   42.500
LGA    G   133_B      G   133_B     2.391     0    0.328   0.328     2.391   70.833   70.833
LGA    S   134_B      S   134_B     2.901     0    0.612   0.792     4.744   55.595   49.524

# 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):     1.333          1.307                  2.097           88.536   83.445

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    124    1.22    93.452    96.432     9.374

LGA_LOCAL      RMSD:   1.223  Number of atoms:  124  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.337  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   1.333  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.599444 * X  +   0.443988 * Y  +   0.665989 * Z  +  11.761323
  Y_new =  -0.565624 * X  +   0.353749 * Y  +  -0.744937 * Z  +  13.162653
  Z_new =  -0.566336 * X  +  -0.823247 * Y  +   0.039078 * Z  +  26.311790 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.385215  0.602053 -1.523364   [DEG: -136.6628   34.4951  -87.2823 ]
ZXZ:  0.729501  1.531709 -2.539014   [DEG:   41.7974   87.7604 -145.4748 ]
 
# END of job
