
#######################################################
#                                                     #
#                        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       0.94     0.94
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       0.94     0.94
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       0.94     0.94
  LCS_AVERAGE:    100.00

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    126  126  126     33  113  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B    126  126  126     34  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B    126  126  126     62  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B    126  126  126     62  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B    126  126  126     34  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B    126  126  126     62  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B    126  126  126     74  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B    126  126  126     71  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B    126  126  126     80  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B    126  126  126     51  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B    126  126  126     57  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B    126  126  126     51  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B    126  126  126     69  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B    126  126  126     56  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B    126  126  126     21  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B    126  126  126     27  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B    126  126  126     27  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B    126  126  126     21  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B    126  126  126     33  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B    126  126  126      3    3   10   85  122  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B    126  126  126      3    3   24   36   43  124  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B    126  126  126      3    3    7  104  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B    126  126  126      4    6   25   67  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B    126  126  126      3    6   37  111  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B    126  126  126      4   24   78  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B    126  126  126     41  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B    126  126  126     75  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B    126  126  126      8  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B    126  126  126     61  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B    126  126  126     30  113  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B    126  126  126     50  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B    126  126  126     39  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B    126  126  126     30  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B    126  126  126     39  111  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B    126  126  126     30  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B    126  126  126     82  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B    126  126  126     51  114  119  120  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B    126  126  126      3   20   64  119  123  125  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  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    114    119    120    123    125    126    126    126    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  65.08  90.48  94.44  95.24  97.62  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.50   0.55   0.61   0.77   0.87   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94
GDT RMS_ALL_AT   1.01   0.98   0.97   0.96   0.95   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94   0.94

# 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:  F    56_B      F    56_B
#   possible swapping detected:  E    62_B      E    62_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  D    76_B      D    76_B
#   possible swapping detected:  E    78_B      E    78_B
#   possible swapping detected:  F   105_B      F   105_B
#   possible swapping detected:  E   106_B      E   106_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  F   113_B      F   113_B
#   possible swapping detected:  D   118_B      D   118_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     1.579     0    0.233   0.879     3.983   75.119   64.603
LGA    E     8_B      E     8_B     1.275     0    0.040   0.923     4.884   81.429   64.021
LGA    A     9_B      A     9_B     1.103     0    0.039   0.050     1.184   83.690   83.238
LGA    K    10_B      K    10_B     1.041     0    0.045   0.133     1.210   81.429   81.429
LGA    E    11_B      E    11_B     1.077     0    0.037   0.765     4.900   85.952   69.841
LGA    A    12_B      A    12_B     1.053     0    0.020   0.021     1.280   85.952   85.048
LGA    I    13_B      I    13_B     0.822     0    0.032   0.462     1.446   92.857   88.274
LGA    I    14_B      I    14_B     0.429     0    0.031   0.232     1.364   97.619   95.298
LGA    A    15_B      A    15_B     0.394     0    0.032   0.042     0.506  100.000   98.095
LGA    M    16_B      M    16_B     0.536     0    0.019   0.976     4.970   97.619   82.262
LGA    L    17_B      L    17_B     0.148     0    0.016   0.053     0.632  100.000   98.810
LGA    K    18_B      K    18_B     0.330     0    0.036   0.543     2.186  100.000   96.085
LGA    E    19_B      E    19_B     0.601     0    0.029   0.279     1.082   92.857   90.529
LGA    W    20_B      W    20_B     0.594     0    0.011   0.197     0.716   90.476   95.238
LGA    Y    21_B      Y    21_B     0.555     0    0.026   0.134     0.800   90.476   91.270
LGA    D    22_B      D    22_B     0.710     0    0.006   0.031     0.914   90.476   90.476
LGA    A    23_B      A    23_B     0.703     0    0.019   0.023     0.715   90.476   90.476
LGA    M    24_B      M    24_B     0.487     0    0.034   0.863     2.766   92.857   82.262
LGA    N    25_B      N    25_B     0.658     0    0.027   0.064     0.826   90.476   90.476
LGA    E    26_B      E    26_B     0.678     0    0.030   0.081     0.933   90.476   91.534
LGA    G    27_B      G    27_B     0.742     0    0.013   0.013     0.819   90.476   90.476
LGA    D    28_B      D    28_B     0.833     0    0.019   0.102     1.481   90.476   88.214
LGA    M    29_B      M    29_B     0.674     0    0.054   0.639     1.539   90.476   87.143
LGA    E    30_B      E    30_B     0.758     0    0.033   0.992     3.891   90.476   76.032
LGA    K    31_B      K    31_B     0.830     0    0.040   1.082     6.096   90.476   67.831
LGA    L    32_B      L    32_B     0.458     0    0.023   0.120     0.562   92.857   96.429
LGA    R    33_B      R    33_B     0.612     0    0.030   1.074     5.704   90.476   75.844
LGA    S    34_B      S    34_B     0.723     0    0.080   0.097     0.990   90.476   90.476
LGA    L    35_B      L    35_B     0.345     0    0.056   0.075     0.457  100.000  100.000
LGA    V    36_B      V    36_B     0.420     0    0.019   0.063     0.520  100.000   98.639
LGA    D    37_B      D    37_B     0.551     0    0.017   0.039     0.714   95.238   92.857
LGA    P    38_B      P    38_B     0.309     0    0.015   0.056     0.416  100.000  100.000
LGA    D    39_B      D    39_B     0.315     0    0.017   0.637     1.656  100.000   94.286
LGA    A    40_B      A    40_B     0.254     0    0.022   0.024     0.303  100.000  100.000
LGA    S    41_B      S    41_B     0.382     0    0.098   0.087     0.451  100.000  100.000
LGA    F    42_B      F    42_B     0.498     0    0.048   1.319     7.839   95.238   57.576
LGA    V    43_B      V    43_B     0.549     0    0.034   0.077     0.684   92.857   91.837
LGA    D    44_B      D    44_B     0.651     0    0.057   0.186     1.030   90.476   89.345
LGA    A    45_B      A    45_B     0.572     0    0.067   0.068     0.992   90.476   92.381
LGA    R    46_B      R    46_B     0.570     0    0.050   1.698     9.000   92.857   61.515
LGA    T    47_B      T    47_B     0.823     0    0.039   0.051     1.063   88.214   87.891
LGA    N    48_B      N    48_B     0.505     0    0.027   1.048     3.319   92.857   84.345
LGA    Q    49_B      Q    49_B     0.637     0    0.068   0.198     1.392   95.238   90.582
LGA    V    50_B      V    50_B     0.400     0    0.015   0.023     0.688  100.000   97.279
LGA    Y    51_B      Y    51_B     0.473     0    0.032   0.113     1.068  100.000   92.143
LGA    D    52_B      D    52_B     0.552     0    0.031   0.064     0.829   95.238   92.857
LGA    K    53_B      K    53_B     0.413     0    0.024   0.055     0.730  100.000   97.884
LGA    D    54_B      D    54_B     0.490     0    0.036   0.145     0.889   92.857   91.667
LGA    Q    55_B      Q    55_B     0.599     0    0.034   0.119     1.346   90.476   89.471
LGA    F    56_B      F    56_B     0.427     0    0.019   0.104     0.746  100.000   97.403
LGA    L    57_B      L    57_B     0.544     0    0.012   0.140     0.727   92.857   95.238
LGA    Q    58_B      Q    58_B     0.751     0    0.034   1.607     6.658   90.476   66.561
LGA    M    59_B      M    59_B     0.734     0    0.037   0.147     1.022   90.476   89.345
LGA    I    60_B      I    60_B     0.716     0    0.021   0.149     1.130   90.476   89.345
LGA    K    61_B      K    61_B     0.762     0    0.023   0.358     2.220   90.476   84.656
LGA    E    62_B      E    62_B     0.573     0    0.004   0.134     0.683   95.238   94.709
LGA    A    63_B      A    63_B     0.506     0    0.026   0.031     0.512   97.619   96.190
LGA    L    64_B      L    64_B     0.510     0    0.025   0.041     0.520   92.857   96.429
LGA    E    65_B      E    65_B     0.501     0    0.041   0.229     0.902   97.619   93.651
LGA    Q    66_B      Q    66_B     0.512     0    0.041   0.986     2.483   90.476   85.661
LGA    D    67_B      D    67_B     0.518     0    0.062   0.105     0.737   95.238   94.048
LGA    L    68_B      L    68_B     0.533     0    0.018   0.045     0.593   90.476   95.238
LGA    K    69_B      K    69_B     0.429     0    0.082   0.808     4.109   97.619   82.910
LGA    V    70_B      V    70_B     0.328     0    0.034   0.041     0.503   97.619   98.639
LGA    E    71_B      E    71_B     0.329     0    0.042   0.576     1.509  100.000   94.921
LGA    V    72_B      V    72_B     0.210     0    0.023   0.039     0.240  100.000  100.000
LGA    K    73_B      K    73_B     0.214     0    0.054   0.504     1.601  100.000   94.921
LGA    S    74_B      S    74_B     0.203     0    0.026   0.043     0.239  100.000  100.000
LGA    I    75_B      I    75_B     0.197     0    0.039   0.138     0.661   97.619   98.810
LGA    D    76_B      D    76_B     0.558     0    0.037   1.030     4.536   95.238   80.060
LGA    I    77_B      I    77_B     0.705     0    0.080   0.130     1.171   90.476   89.345
LGA    E    78_B      E    78_B     1.134     0    0.588   0.937     2.535   77.619   76.032
LGA    Q    79_B      Q    79_B     3.084     0    0.104   0.830     9.180   44.167   26.931
LGA    Q    80_B      Q    80_B     4.016     0    0.294   1.397     7.972   56.071   33.862
LGA    P    81_B      P    81_B     2.685     0    0.225   0.229     5.925   69.762   51.156
LGA    D    82_B      D    82_B     3.237     0    0.296   0.905     4.247   51.786   50.179
LGA    G    83_B      G    83_B     3.122     0    0.092   0.092     3.220   53.571   53.571
LGA    D    84_B      D    84_B     2.624     0    0.142   0.182     3.930   65.000   55.893
LGA    V    85_B      V    85_B     0.793     0    0.045   0.120     1.402   92.976   90.612
LGA    V    86_B      V    86_B     0.273     0    0.033   0.154     0.863  100.000   97.279
LGA    I    87_B      I    87_B     0.304     0    0.036   0.622     1.625  100.000   93.095
LGA    V    88_B      V    88_B     0.353     0    0.063   0.125     0.652   97.619   97.279
LGA    K    89_B      K    89_B     0.264     0    0.034   0.520     2.370  100.000   92.963
LGA    V    90_B      V    90_B     0.241     0    0.025   0.040     0.282  100.000  100.000
LGA    K    91_B      K    91_B     0.119     0    0.060   0.201     0.725  100.000   97.884
LGA    V    92_B      V    92_B     0.348     0    0.032   0.060     0.348  100.000  100.000
LGA    R    93_B      R    93_B     0.353     0    0.108   0.262     1.325  100.000   95.758
LGA    A    94_B      A    94_B     0.375     0    0.047   0.052     0.469  100.000  100.000
LGA    T    95_B      T    95_B     0.577     0    0.071   1.039     2.393   92.857   85.646
LGA    M    96_B      M    96_B     0.893     0    0.044   0.686     1.602   92.857   86.071
LGA    V    97_B      V    97_B     0.610     0    0.045   0.123     0.841   92.857   93.197
LGA    R    98_B      R    98_B     0.797     0    0.109   1.239     7.475   90.476   62.468
LGA    Q   101_B      Q   101_B     0.189     0    0.189   1.062     5.204   95.238   78.042
LGA    E   102_B      E   102_B     0.289     0    0.037   0.422     1.277  100.000   93.757
LGA    H   103_B      H   103_B     0.485     0    0.083   0.123     0.863  100.000   94.286
LGA    V   104_B      V   104_B     0.444     0    0.025   0.059     0.883  100.000   95.918
LGA    F   105_B      F   105_B     0.192     0    0.052   0.065     0.475  100.000  100.000
LGA    E   106_B      E   106_B     0.145     0    0.097   1.034     4.979  100.000   76.772
LGA    V   107_B      V   107_B     0.188     0    0.032   0.053     0.209  100.000  100.000
LGA    V   108_B      V   108_B     0.252     0    0.044   0.096     0.469  100.000  100.000
LGA    D   109_B      D   109_B     0.439     0    0.057   0.106     0.689   95.238   92.857
LGA    T   110_B      T   110_B     0.433     0    0.025   0.043     0.771  100.000   95.918
LGA    Y   111_B      Y   111_B     0.207     0    0.015   0.060     0.818  100.000   96.032
LGA    E   112_B      E   112_B     0.191     0    0.048   0.283     0.938  100.000   97.884
LGA    F   113_B      F   113_B     0.211     0    0.045   0.195     1.364  100.000   91.515
LGA    R   114_B      R   114_B     0.504     0    0.052   0.470     2.834   92.857   83.463
LGA    R   115_B      R   115_B     1.019     0    0.029   1.203     2.914   85.952   75.671
LGA    K   116_B      K   116_B     0.673     0    0.080   0.567     1.434   92.857   88.519
LGA    G   117_B      G   117_B     0.837     0    0.016   0.016     0.837   90.476   90.476
LGA    D   118_B      D   118_B     0.665     0    0.110   0.585     1.889   88.214   83.810
LGA    S   119_B      S   119_B     1.107     0    0.063   0.099     1.730   88.214   83.095
LGA    W   120_B      W   120_B     0.923     0    0.042   0.148     1.399   90.476   84.014
LGA    K   121_B      K   121_B     0.344     0    0.018   0.084     1.259   97.619   94.762
LGA    I   122_B      I   122_B     0.413     0    0.055   0.095     0.523   97.619   97.619
LGA    V   123_B      V   123_B     0.258     0    0.043   0.068     0.504  100.000   98.639
LGA    K   124_B      K   124_B     0.243     0    0.038   0.173     0.712  100.000   97.884
LGA    L   125_B      L   125_B     0.407     0    0.102   0.187     0.453  100.000  100.000
LGA    V   126_B      V   126_B     0.279     0    0.042   0.088     0.329  100.000  100.000
LGA    S   127_B      S   127_B     0.453     0    0.046   0.146     0.618   95.238   96.825
LGA    E   128_B      E   128_B     0.353     0    0.102   0.888     3.358  100.000   82.751
LGA    I   129_B      I   129_B     0.338     0    0.067   0.118     0.598  100.000   98.810
LGA    T   130_B      T   130_B     0.458     0    0.037   0.067     0.573   97.619   98.639
LGA    Q   131_B      Q   131_B     0.436     0    0.048   1.054     2.456   95.238   88.995
LGA    L   132_B      L   132_B     0.661     0    0.616   0.545     3.017   82.738   88.988
LGA    G   133_B      G   133_B     0.766     0    0.186   0.186     0.961   90.476   90.476
LGA    S   134_B      S   134_B     2.978     0    0.680   0.618     7.354   55.595   42.302

# 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):     0.939          0.920                  1.626           92.465   87.627

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    126    0.94    96.429    98.294    12.126

LGA_LOCAL      RMSD:   0.939  Number of atoms:  126  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.939  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   0.939  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.810490 * X  +  -0.079536 * Y  +  -0.580328 * Z  +  12.911574
  Y_new =  -0.188531 * X  +   0.902596 * Y  +  -0.387008 * Z  +  10.573975
  Z_new =   0.554583 * X  +   0.423076 * Y  +   0.716550 * Z  +  29.694607 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.228550 -0.587861  0.533357   [DEG:  -13.0949  -33.6820   30.5591 ]
ZXZ: -0.982647  0.771952  0.919107   [DEG:  -56.3015   44.2296   52.6610 ]
 
# END of job
