
#######################################################
#                                                     #
#                        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       1.08     1.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       1.08     1.08
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74       7_B - 80_B        0.87     1.11
  LCS_AVERAGE:     50.90

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     74  126  126     24  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     74  126  126     47  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     74  126  126     68  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     74  126  126     68  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     74  126  126     48  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     74  126  126     48  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     74  126  126     73  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     74  126  126     70  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     74  126  126     68  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     74  126  126     68  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     74  126  126     68  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     74  126  126     68  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     74  126  126     66  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     74  126  126     68  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     74  126  126     68  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     74  126  126     68  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     74  126  126     66  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     74  126  126     71  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B     74  126  126     68  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     74  126  126     41  114  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     74  126  126     53  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     74  126  126     77  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     74  126  126     79  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     74  126  126     30  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     74  126  126     30  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     74  126  126     30  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     74  126  126     77  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B     74  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B     74  126  126     56  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B     74  126  126      3    3    4    8  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B     74  126  126      3   17   21   38  108  123  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B      4  126  126      3    3    4   12   39   51   68   99  119  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B     51  126  126      3    3   24   85  121  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     51  126  126      3    3   97  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     51  126  126      8   73  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     51  126  126     78  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     51  126  126     32  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     51  126  126      8  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     51  126  126     77  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     51  126  126     30  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     51  126  126     44  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     51  126  126      6  110  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     51  126  126     41  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B     51  126  126     82  115  119  121  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B     51  126  126      3   49   89  116  122  124  125  125  125  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  83.63  (  50.90  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     82    115    119    121    122    124    125    125    125    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  65.08  91.27  94.44  96.03  96.83  98.41  99.21  99.21  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   0.49   0.54   0.61   0.66   0.80   0.90   0.90   0.90   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08
GDT RMS_ALL_AT   1.13   1.13   1.12   1.10   1.11   1.09   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08   1.08

# 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:  Y    21_B      Y    21_B
#   possible swapping detected:  D    22_B      D    22_B
#   possible swapping detected:  E    26_B      E    26_B
#   possible swapping detected:  D    28_B      D    28_B
#   possible swapping detected:  D    37_B      D    37_B
#   possible swapping detected:  D    39_B      D    39_B
#   possible swapping detected:  D    44_B      D    44_B
#   possible swapping detected:  Y    51_B      Y    51_B
#   possible swapping detected:  D    52_B      D    52_B
#   possible swapping detected:  D    54_B      D    54_B
#   possible swapping detected:  E    62_B      E    62_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  D    67_B      D    67_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  D    82_B      D    82_B
#   possible swapping detected:  D    84_B      D    84_B
#   possible swapping detected:  D   109_B      D   109_B
#   possible swapping detected:  E   112_B      E   112_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     1.340     0    0.229   0.884     3.786   77.262   66.349
LGA    E     8_B      E     8_B     1.224     0    0.043   0.922     4.650   83.690   65.026
LGA    A     9_B      A     9_B     0.908     0    0.037   0.048     1.009   88.214   88.667
LGA    K    10_B      K    10_B     0.863     0    0.043   0.134     1.011   90.476   89.471
LGA    E    11_B      E    11_B     1.012     0    0.039   0.754     4.785   88.214   70.847
LGA    A    12_B      A    12_B     0.932     0    0.020   0.021     1.133   90.476   88.667
LGA    I    13_B      I    13_B     0.566     0    0.034   0.305     2.047   95.238   88.512
LGA    I    14_B      I    14_B     0.359     0    0.029   0.238     1.237  100.000   97.679
LGA    A    15_B      A    15_B     0.367     0    0.030   0.040     0.449  100.000  100.000
LGA    M    16_B      M    16_B     0.462     0    0.019   0.957     4.704  100.000   83.452
LGA    L    17_B      L    17_B     0.272     0    0.015   0.066     0.372  100.000  100.000
LGA    K    18_B      K    18_B     0.335     0    0.033   1.168     5.742  100.000   75.820
LGA    E    19_B      E    19_B     0.526     0    0.031   0.322     1.017   92.857   91.587
LGA    W    20_B      W    20_B     0.615     0    0.009   0.288     0.850   90.476   93.878
LGA    Y    21_B      Y    21_B     0.594     0    0.019   0.150     0.599   90.476   95.238
LGA    D    22_B      D    22_B     0.702     0    0.004   0.019     0.802   90.476   90.476
LGA    A    23_B      A    23_B     0.800     0    0.018   0.021     0.819   90.476   90.476
LGA    M    24_B      M    24_B     0.807     0    0.037   0.864     2.814   90.476   78.929
LGA    N    25_B      N    25_B     0.802     0    0.035   0.105     1.162   90.476   89.345
LGA    E    26_B      E    26_B     0.735     0    0.034   0.059     1.004   88.214   94.762
LGA    G    27_B      G    27_B     1.000     0    0.018   0.018     1.025   85.952   85.952
LGA    D    28_B      D    28_B     0.905     0    0.027   0.101     1.447   90.476   87.083
LGA    M    29_B      M    29_B     0.788     0    0.055   0.635     1.454   90.476   89.405
LGA    E    30_B      E    30_B     0.777     0    0.036   0.952     3.488   90.476   77.619
LGA    K    31_B      K    31_B     0.796     0    0.036   1.223     5.907   90.476   69.524
LGA    L    32_B      L    32_B     0.463     0    0.024   0.124     0.561   92.857   96.429
LGA    R    33_B      R    33_B     0.524     0    0.029   1.066     5.420   95.238   80.173
LGA    S    34_B      S    34_B     0.554     0    0.074   0.097     0.764   90.476   90.476
LGA    L    35_B      L    35_B     0.274     0    0.041   0.054     0.450  100.000  100.000
LGA    V    36_B      V    36_B     0.237     0    0.033   0.055     0.285  100.000  100.000
LGA    D    37_B      D    37_B     0.355     0    0.018   0.019     0.585  100.000   96.429
LGA    P    38_B      P    38_B     0.120     0    0.012   0.047     0.356  100.000  100.000
LGA    D    39_B      D    39_B     0.079     0    0.015   0.676     1.584  100.000   94.286
LGA    A    40_B      A    40_B     0.087     0    0.022   0.024     0.132  100.000  100.000
LGA    S    41_B      S    41_B     0.212     0    0.098   0.093     0.226  100.000  100.000
LGA    F    42_B      F    42_B     0.246     0    0.030   0.139     0.511  100.000   99.134
LGA    V    43_B      V    43_B     0.417     0    0.036   0.083     0.691  100.000   95.918
LGA    D    44_B      D    44_B     0.530     0    0.055   0.068     0.822   95.238   92.857
LGA    A    45_B      A    45_B     0.219     0    0.097   0.099     0.716   97.619   98.095
LGA    R    46_B      R    46_B     0.605     0    0.043   1.603     9.264   90.476   58.658
LGA    T    47_B      T    47_B     1.056     0    0.030   0.046     1.381   85.952   84.014
LGA    N    48_B      N    48_B     0.724     0    0.033   1.060     3.875   90.476   81.250
LGA    Q    49_B      Q    49_B     0.479     0    0.072   0.553     2.441   97.619   84.921
LGA    V    50_B      V    50_B     0.328     0    0.015   0.025     0.904  100.000   95.918
LGA    Y    51_B      Y    51_B     0.439     0    0.036   0.099     1.340  100.000   91.389
LGA    D    52_B      D    52_B     0.447     0    0.027   0.072     0.984  100.000   95.238
LGA    K    53_B      K    53_B     0.282     0    0.022   0.061     0.382  100.000  100.000
LGA    D    54_B      D    54_B     0.478     0    0.035   0.153     0.641   95.238   94.048
LGA    Q    55_B      Q    55_B     0.599     0    0.035   0.203     1.523   90.476   88.519
LGA    F    56_B      F    56_B     0.453     0    0.012   0.076     0.860   95.238   93.074
LGA    L    57_B      L    57_B     0.575     0    0.009   0.156     0.743   90.476   91.667
LGA    Q    58_B      Q    58_B     0.798     0    0.043   1.603     6.686   90.476   65.979
LGA    M    59_B      M    59_B     0.753     0    0.035   0.173     1.042   90.476   89.345
LGA    I    60_B      I    60_B     0.751     0    0.019   0.158     1.117   90.476   89.345
LGA    K    61_B      K    61_B     0.741     0    0.026   0.362     2.395   90.476   83.757
LGA    E    62_B      E    62_B     0.528     0    0.011   0.135     0.648   95.238   93.651
LGA    A    63_B      A    63_B     0.421     0    0.010   0.013     0.447  100.000  100.000
LGA    L    64_B      L    64_B     0.478     0    0.031   0.076     0.664  100.000   98.810
LGA    E    65_B      E    65_B     0.428     0    0.053   0.216     0.711  100.000   97.884
LGA    Q    66_B      Q    66_B     0.522     0    0.045   0.775     2.380   90.476   87.672
LGA    D    67_B      D    67_B     0.425     0    0.090   0.136     0.729  100.000   97.619
LGA    L    68_B      L    68_B     0.444     0    0.014   0.035     0.520   97.619   98.810
LGA    K    69_B      K    69_B     0.266     0    0.091   0.345     2.044  100.000   92.910
LGA    V    70_B      V    70_B     0.438     0    0.073   1.064     2.536   97.619   86.122
LGA    E    71_B      E    71_B     0.371     0    0.042   0.495     1.281  100.000   95.873
LGA    V    72_B      V    72_B     0.279     0    0.024   0.053     0.299  100.000  100.000
LGA    K    73_B      K    73_B     0.306     0    0.055   0.504     1.510  100.000   94.921
LGA    S    74_B      S    74_B     0.278     0    0.027   0.025     0.278  100.000  100.000
LGA    I    75_B      I    75_B     0.155     0    0.014   0.111     0.449  100.000  100.000
LGA    D    76_B      D    76_B     0.485     0    0.043   0.990     4.396  100.000   82.143
LGA    I    77_B      I    77_B     0.570     0    0.089   0.132     1.000   90.476   90.536
LGA    E    78_B      E    78_B     1.042     0    0.606   0.897     2.574   77.619   76.931
LGA    Q    79_B      Q    79_B     2.864     0    0.039   1.023    11.092   49.524   26.032
LGA    Q    80_B      Q    80_B     4.684     0    0.041   1.512     9.398   49.524   26.402
LGA    P    81_B      P    81_B     6.818     0    0.694   0.583    11.074   19.762   11.565
LGA    D    82_B      D    82_B     3.920     0    0.106   0.216     6.991   52.500   36.667
LGA    G    83_B      G    83_B     2.135     0    0.497   0.497     2.376   70.952   70.952
LGA    D    84_B      D    84_B     2.129     0    0.165   0.196     3.708   73.095   61.607
LGA    V    85_B      V    85_B     0.414     0    0.047   0.120     1.031   97.619   93.265
LGA    V    86_B      V    86_B     0.617     0    0.040   0.159     1.011   92.857   90.544
LGA    I    87_B      I    87_B     0.518     0    0.036   0.180     1.228   92.857   89.405
LGA    V    88_B      V    88_B     0.400     0    0.048   0.127     0.624   97.619   97.279
LGA    K    89_B      K    89_B     0.372     0    0.038   0.393     1.322  100.000   93.810
LGA    V    90_B      V    90_B     0.326     0    0.027   0.056     0.345  100.000  100.000
LGA    K    91_B      K    91_B     0.169     0    0.063   0.194     0.512  100.000   98.942
LGA    V    92_B      V    92_B     0.214     0    0.043   1.093     2.344  100.000   89.932
LGA    R    93_B      R    93_B     0.268     0    0.096   0.314     0.910  100.000   97.403
LGA    A    94_B      A    94_B     0.316     0    0.042   0.046     0.432  100.000  100.000
LGA    T    95_B      T    95_B     0.479     0    0.053   0.068     0.905   95.238   93.197
LGA    M    96_B      M    96_B     0.913     0    0.053   0.898     1.994   90.476   83.810
LGA    V    97_B      V    97_B     0.775     0    0.039   0.116     0.931   90.476   90.476
LGA    R    98_B      R    98_B     0.822     0    0.094   1.242     7.097   90.476   64.069
LGA    Q   101_B      Q   101_B     0.383     0    0.173   0.747     2.677   95.238   85.873
LGA    E   102_B      E   102_B     0.550     0    0.046   0.383     1.174   92.857   89.524
LGA    H   103_B      H   103_B     0.352     0    0.093   0.104     0.738  100.000   95.238
LGA    V   104_B      V   104_B     0.393     0    0.026   0.059     0.739  100.000   97.279
LGA    F   105_B      F   105_B     0.126     0    0.049   0.072     0.340  100.000  100.000
LGA    E   106_B      E   106_B     0.098     0    0.106   0.905     3.329  100.000   85.767
LGA    V   107_B      V   107_B     0.171     0    0.034   0.070     0.380  100.000  100.000
LGA    V   108_B      V   108_B     0.221     0    0.049   0.086     0.501  100.000   98.639
LGA    D   109_B      D   109_B     0.496     0    0.052   0.102     0.758   95.238   92.857
LGA    T   110_B      T   110_B     0.541     0    0.042   0.053     0.871   95.238   93.197
LGA    Y   111_B      Y   111_B     0.326     0    0.018   0.075     0.775  100.000   94.444
LGA    E   112_B      E   112_B     0.256     0    0.048   0.445     1.517  100.000   94.868
LGA    F   113_B      F   113_B     0.275     0    0.045   0.201     1.373  100.000   91.515
LGA    R   114_B      R   114_B     0.365     0    0.055   0.421     2.487   97.619   88.398
LGA    R   115_B      R   115_B     0.889     0    0.037   0.580     4.018   90.476   66.407
LGA    K   116_B      K   116_B     0.330     0    0.077   0.603     1.375  100.000   94.815
LGA    G   117_B      G   117_B     0.265     0    0.025   0.025     0.445  100.000  100.000
LGA    D   118_B      D   118_B     0.710     0    0.101   0.596     1.707   88.333   87.262
LGA    S   119_B      S   119_B     1.256     0    0.106   0.161     1.737   88.214   83.095
LGA    W   120_B      W   120_B     0.883     0    0.059   0.205     1.199   90.476   84.014
LGA    K   121_B      K   121_B     0.344     0    0.016   0.088     1.162   97.619   94.762
LGA    I   122_B      I   122_B     0.403     0    0.064   0.089     0.557   97.619   98.810
LGA    V   123_B      V   123_B     0.168     0    0.035   0.056     0.418  100.000  100.000
LGA    K   124_B      K   124_B     0.215     0    0.037   0.144     0.502  100.000   98.942
LGA    L   125_B      L   125_B     0.296     0    0.101   0.167     0.296  100.000  100.000
LGA    V   126_B      V   126_B     0.326     0    0.044   0.076     0.457  100.000  100.000
LGA    S   127_B      S   127_B     0.319     0    0.043   0.128     0.423  100.000  100.000
LGA    E   128_B      E   128_B     0.311     0    0.099   0.937     3.573  100.000   82.857
LGA    I   129_B      I   129_B     0.257     0    0.063   0.117     0.657  100.000   98.810
LGA    T   130_B      T   130_B     0.262     0    0.033   0.072     0.532   97.619   98.639
LGA    Q   131_B      Q   131_B     0.454     0    0.036   1.052     2.709   95.238   86.931
LGA    L   132_B      L   132_B     0.620     0    0.081   0.075     0.996   90.476   90.476
LGA    G   133_B      G   133_B     0.435     0    0.199   0.199     0.741   95.238   95.238
LGA    S   134_B      S   134_B     2.901     0    0.680   0.862     6.826   59.524   45.476

# 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):     1.079          1.010                  1.740           93.125   88.119

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    125    0.90    96.627    98.186    12.500

LGA_LOCAL      RMSD:   0.900  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.083  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   1.079  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.046151 * X  +  -0.186990 * Y  +   0.981277 * Z  +  11.758461
  Y_new =  -0.523294 * X  +   0.841278 * Y  +   0.135700 * Z  +  13.353659
  Z_new =  -0.850901 * X  +  -0.507234 * Y  +  -0.136677 * Z  +  27.080748 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.658762  1.017699 -1.834000   [DEG:  -95.0401   58.3098 -105.0805 ]
ZXZ:  1.708214  1.707902 -2.108353   [DEG:   97.8735   97.8556 -120.7998 ]
 
# END of job
