
#######################################################
#                                                     #
#                        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       1.10     1.10
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       1.10     1.10
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    74       7_B - 80_B        0.82     1.17
  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     22  106  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B     74  126  126     41  110  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B     74  126  126     62  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B     74  126  126     59  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B     74  126  126     41  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B     74  126  126     59  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B     74  126  126     62  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B     74  126  126     70  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B     74  126  126     60  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B     74  126  126     70  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B     74  126  126     70  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B     74  126  126     70  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B     74  126  126     53  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B     74  126  126     53  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B     74  126  126     48  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B     74  126  126     43  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B     74  126  126     47  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B     74  126  126     66  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B     74  126  126     70  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B     74  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B     74  126  126     59  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B     74  126  126     41  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B     74  126  126      6  110  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B     74  126  126      3    4    4  108  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B     74  126  126      3    7   15   76  102  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B      4  126  126      3    4    4    8   13   55   73   94  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B     51  126  126      3    7   49  112  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B     51  126  126      3    3   60  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B     51  126  126      8   46  112  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B     51  126  126     58  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B     51  126  126     48  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B     51  126  126     48  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B     51  126  126     46  100  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B     51  126  126     46  107  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B     51  126  126     48  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B     51  126  126     36  108  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B     51  126  126     70  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B     51  126  126     73  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B     51  126  126     67  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B     51  126  126     57  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B     51  126  126     59  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B     51  126  126     33  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B     51  126  126     57  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B     51  126  126     30  109  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B     51  126  126     49  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B     51  126  126     61  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B     51  126  126     73  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B     51  126  126     74  112  119  120  124  124  125  125  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B     51  126  126      3   55  110  120  124  124  125  125  126  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     74    112    119    120    124    124    125    125    126    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  58.73  88.89  94.44  95.24  98.41  98.41  99.21  99.21 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.52   0.58   0.63   0.83   0.83   0.93   0.93   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10
GDT RMS_ALL_AT   1.15   1.14   1.15   1.15   1.11   1.11   1.11   1.11   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10   1.10

# 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    78_B      E    78_B
#   possible swapping detected:  E   102_B      E   102_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     1.617     0    0.273   1.105     3.525   72.976   69.206
LGA    E     8_B      E     8_B     1.254     0    0.042   1.030     5.130   83.690   65.291
LGA    A     9_B      A     9_B     0.939     0    0.052   0.081     0.993   90.476   90.476
LGA    K    10_B      K    10_B     1.043     0    0.049   0.858     4.166   81.429   69.471
LGA    E    11_B      E    11_B     1.119     0    0.043   0.749     4.868   85.952   69.841
LGA    A    12_B      A    12_B     0.930     0    0.029   0.029     1.142   90.476   88.667
LGA    I    13_B      I    13_B     0.776     0    0.017   0.480     1.293   90.476   89.345
LGA    I    14_B      I    14_B     0.439     0    0.037   0.207     1.179   97.619   96.488
LGA    A    15_B      A    15_B     0.347     0    0.055   0.078     0.458  100.000  100.000
LGA    M    16_B      M    16_B     0.565     0    0.019   0.965     4.712   95.238   80.060
LGA    L    17_B      L    17_B     0.309     0    0.010   0.077     0.464  100.000  100.000
LGA    K    18_B      K    18_B     0.345     0    0.061   0.698     1.827   97.619   93.810
LGA    E    19_B      E    19_B     0.571     0    0.047   0.270     0.953   92.857   92.593
LGA    W    20_B      W    20_B     0.554     0    0.024   0.257     0.927   90.476   93.197
LGA    Y    21_B      Y    21_B     0.496     0    0.029   0.155     0.689   95.238   96.032
LGA    D    22_B      D    22_B     0.703     0    0.057   0.077     0.807   90.476   90.476
LGA    A    23_B      A    23_B     0.817     0    0.026   0.029     0.971   90.476   90.476
LGA    M    24_B      M    24_B     0.684     0    0.037   0.927     2.779   90.476   80.893
LGA    N    25_B      N    25_B     0.692     0    0.038   0.069     0.952   90.476   90.476
LGA    E    26_B      E    26_B     0.740     0    0.015   0.122     0.944   90.476   91.534
LGA    G    27_B      G    27_B     0.936     0    0.043   0.043     1.094   88.214   88.214
LGA    D    28_B      D    28_B     0.953     0    0.052   0.125     1.615   90.476   84.881
LGA    M    29_B      M    29_B     0.874     0    0.034   0.619     1.269   88.214   87.083
LGA    E    30_B      E    30_B     0.858     0    0.061   0.999     3.916   90.476   75.820
LGA    K    31_B      K    31_B     0.790     0    0.072   1.023     5.632   90.476   68.889
LGA    L    32_B      L    32_B     0.510     0    0.039   0.099     0.558   90.476   95.238
LGA    R    33_B      R    33_B     0.624     0    0.059   1.098     5.814   90.476   75.195
LGA    S    34_B      S    34_B     0.507     0    0.105   0.124     0.803   90.476   90.476
LGA    L    35_B      L    35_B     0.257     0    0.102   0.117     0.437  100.000  100.000
LGA    V    36_B      V    36_B     0.260     0    0.028   0.069     0.318  100.000  100.000
LGA    D    37_B      D    37_B     0.313     0    0.020   0.126     0.857  100.000   98.810
LGA    P    38_B      P    38_B     0.150     0    0.049   0.065     0.294  100.000  100.000
LGA    D    39_B      D    39_B     0.147     0    0.019   0.643     1.796  100.000   94.286
LGA    A    40_B      A    40_B     0.240     0    0.039   0.041     0.276  100.000  100.000
LGA    S    41_B      S    41_B     0.100     0    0.112   0.138     0.377  100.000  100.000
LGA    F    42_B      F    42_B     0.320     0    0.059   0.109     0.489  100.000  100.000
LGA    V    43_B      V    43_B     0.445     0    0.055   0.070     0.630   97.619   94.558
LGA    D    44_B      D    44_B     0.362     0    0.036   0.056     0.710  100.000   97.619
LGA    A    45_B      A    45_B     0.372     0    0.114   0.110     0.733   97.619   98.095
LGA    R    46_B      R    46_B     0.597     0    0.034   1.766     9.291   90.476   58.182
LGA    T    47_B      T    47_B     0.595     0    0.025   0.051     0.826   90.476   90.476
LGA    N    48_B      N    48_B     0.255     0    0.036   1.099     3.196  100.000   87.917
LGA    Q    49_B      Q    49_B     0.433     0    0.065   0.153     0.989   97.619   94.709
LGA    V    50_B      V    50_B     0.364     0    0.015   0.054     0.814  100.000   95.918
LGA    Y    51_B      Y    51_B     0.372     0    0.035   0.093     0.986  100.000   94.444
LGA    D    52_B      D    52_B     0.447     0    0.041   0.199     1.087  100.000   95.298
LGA    K    53_B      K    53_B     0.275     0    0.034   0.110     0.499  100.000  100.000
LGA    D    54_B      D    54_B     0.307     0    0.050   0.228     0.673  100.000   98.810
LGA    Q    55_B      Q    55_B     0.437     0    0.054   0.079     0.711  100.000   95.767
LGA    F    56_B      F    56_B     0.241     0    0.020   0.072     0.869  100.000   94.805
LGA    L    57_B      L    57_B     0.352     0    0.016   0.077     0.531   97.619   98.810
LGA    Q    58_B      Q    58_B     0.506     0    0.034   1.632     6.563   95.238   68.095
LGA    M    59_B      M    59_B     0.336     0    0.037   0.164     0.515  100.000   98.810
LGA    I    60_B      I    60_B     0.506     0    0.046   0.155     0.971   95.238   92.857
LGA    K    61_B      K    61_B     0.613     0    0.016   0.313     2.321   95.238   86.772
LGA    E    62_B      E    62_B     0.298     0    0.041   0.209     1.005  100.000   95.820
LGA    A    63_B      A    63_B     0.193     0    0.025   0.044     0.221  100.000  100.000
LGA    L    64_B      L    64_B     0.322     0    0.023   0.056     0.627  100.000   96.429
LGA    E    65_B      E    65_B     0.334     0    0.074   0.176     1.256  100.000   92.698
LGA    Q    66_B      Q    66_B     0.280     0    0.040   0.805     1.949  100.000   93.968
LGA    D    67_B      D    67_B     0.417     0    0.049   0.794     3.321  100.000   82.798
LGA    L    68_B      L    68_B     0.384     0    0.019   0.045     0.711  100.000   96.429
LGA    K    69_B      K    69_B     0.256     0    0.067   0.298     1.383  100.000   97.937
LGA    V    70_B      V    70_B     0.542     0    0.112   1.044     2.602   92.857   84.558
LGA    E    71_B      E    71_B     0.370     0    0.051   0.583     1.539  100.000   94.868
LGA    V    72_B      V    72_B     0.287     0    0.017   0.096     0.422  100.000  100.000
LGA    K    73_B      K    73_B     0.358     0    0.058   0.514     1.787  100.000   91.852
LGA    S    74_B      S    74_B     0.303     0    0.036   0.049     0.383  100.000  100.000
LGA    I    75_B      I    75_B     0.284     0    0.018   0.109     0.550   95.238   97.619
LGA    D    76_B      D    76_B     1.004     0    0.041   0.987     5.023   88.214   71.845
LGA    I    77_B      I    77_B     1.076     0    0.127   0.163     1.678   83.690   82.619
LGA    E    78_B      E    78_B     1.375     0    0.628   0.850     3.317   75.357   72.381
LGA    Q    79_B      Q    79_B     2.400     0    0.046   0.972    10.416   53.452   28.942
LGA    Q    80_B      Q    80_B     4.678     0    0.067   1.310     9.695   49.524   25.926
LGA    P    81_B      P    81_B     6.788     0    0.648   0.559    11.133   19.762   11.565
LGA    D    82_B      D    82_B     3.740     0    0.143   0.190     5.843   48.690   39.643
LGA    G    83_B      G    83_B     2.787     0    0.402   0.402     2.916   62.976   62.976
LGA    D    84_B      D    84_B     2.483     0    0.129   0.187     4.311   69.048   55.476
LGA    V    85_B      V    85_B     0.767     0    0.045   0.125     1.492   90.595   86.667
LGA    V    86_B      V    86_B     0.503     0    0.035   0.211     1.011   92.857   91.905
LGA    I    87_B      I    87_B     0.601     0    0.035   0.180     1.173   90.476   88.214
LGA    V    88_B      V    88_B     0.597     0    0.034   0.104     0.817   90.476   90.476
LGA    K    89_B      K    89_B     0.602     0    0.053   0.548     2.562   90.476   84.762
LGA    V    90_B      V    90_B     0.524     0    0.032   0.063     0.630   90.476   90.476
LGA    K    91_B      K    91_B     0.261     0    0.066   0.234     1.198  100.000   95.820
LGA    V    92_B      V    92_B     0.320     0    0.037   0.045     0.442  100.000  100.000
LGA    R    93_B      R    93_B     0.302     0    0.095   0.365     2.482  100.000   88.571
LGA    A    94_B      A    94_B     0.304     0    0.029   0.038     0.515   97.619   98.095
LGA    T    95_B      T    95_B     0.755     0    0.080   1.125     2.700   90.476   81.905
LGA    M    96_B      M    96_B     0.821     0    0.075   0.360     1.453   90.476   87.083
LGA    V    97_B      V    97_B     1.353     0    0.047   0.112     1.433   81.429   81.429
LGA    R    98_B      R    98_B     1.263     0    0.102   1.243     6.396   79.286   61.558
LGA    Q   101_B      Q   101_B     1.033     0    0.195   0.652     2.781   83.690   80.741
LGA    E   102_B      E   102_B     1.159     0    0.068   0.725     2.390   83.690   79.630
LGA    H   103_B      H   103_B     0.690     0    0.109   0.219     1.516   90.476   86.000
LGA    V   104_B      V   104_B     0.646     0    0.036   0.090     1.194   95.238   91.905
LGA    F   105_B      F   105_B     0.200     0    0.068   0.095     0.498  100.000  100.000
LGA    E   106_B      E   106_B     0.216     0    0.069   1.099     4.973  100.000   76.085
LGA    V   107_B      V   107_B     0.144     0    0.040   0.052     0.310  100.000  100.000
LGA    V   108_B      V   108_B     0.518     0    0.044   0.072     0.838   92.857   93.197
LGA    D   109_B      D   109_B     0.741     0    0.054   0.096     1.107   88.214   89.345
LGA    T   110_B      T   110_B     0.734     0    0.038   0.055     1.059   90.476   89.184
LGA    Y   111_B      Y   111_B     0.372     0    0.031   0.074     0.805   97.619   96.032
LGA    E   112_B      E   112_B     0.338     0    0.040   0.294     1.575  100.000   94.868
LGA    F   113_B      F   113_B     0.171     0    0.051   0.213     1.419  100.000   91.515
LGA    R   114_B      R   114_B     0.422     0    0.056   0.462     2.521   95.238   83.593
LGA    R   115_B      R   115_B     0.790     0    0.030   1.139     4.032   90.476   73.160
LGA    K   116_B      K   116_B     0.592     0    0.071   0.651     1.478   92.857   88.519
LGA    G   117_B      G   117_B     0.812     0    0.023   0.023     0.812   90.476   90.476
LGA    D   118_B      D   118_B     0.747     0    0.101   0.561     1.681   88.214   83.810
LGA    S   119_B      S   119_B     1.052     0    0.111   0.156     1.607   88.214   83.095
LGA    W   120_B      W   120_B     0.857     0    0.032   0.180     1.137   90.476   85.952
LGA    K   121_B      K   121_B     0.330     0    0.039   0.161     0.732  100.000   96.825
LGA    I   122_B      I   122_B     0.424     0    0.049   0.115     0.535   97.619   98.810
LGA    V   123_B      V   123_B     0.159     0    0.060   0.084     0.290  100.000  100.000
LGA    K   124_B      K   124_B     0.182     0    0.033   0.136     0.411  100.000  100.000
LGA    L   125_B      L   125_B     0.298     0    0.117   0.148     0.331  100.000  100.000
LGA    V   126_B      V   126_B     0.335     0    0.025   0.080     0.509  100.000   98.639
LGA    S   127_B      S   127_B     0.348     0    0.046   0.109     0.457  100.000  100.000
LGA    E   128_B      E   128_B     0.358     0    0.100   0.991     3.860  100.000   82.857
LGA    I   129_B      I   129_B     0.247     0    0.086   0.119     0.656   97.619   97.619
LGA    T   130_B      T   130_B     0.637     0    0.061   0.071     0.782   90.476   90.476
LGA    Q   131_B      Q   131_B     0.586     0    0.024   1.053     2.535   90.476   83.915
LGA    L   132_B      L   132_B     0.551     0    0.066   0.075     0.748   90.476   90.476
LGA    G   133_B      G   133_B     0.258     0    0.189   0.189     0.670   95.238   95.238
LGA    S   134_B      S   134_B     2.537     0    0.633   0.847     6.452   59.524   46.111

# 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):     1.102          1.049                  1.750           92.035   87.147

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    125    0.93    95.833    98.085    12.136

LGA_LOCAL      RMSD:   0.930  Number of atoms:  125  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.106  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   1.102  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.558142 * X  +   0.283526 * Y  +  -0.779801 * Z  +  13.585204
  Y_new =   0.549285 * X  +  -0.830651 * Y  +   0.091136 * Z  +  13.526615
  Z_new =  -0.621903 * X  +  -0.479200 * Y  +  -0.619358 * Z  +  29.805725 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.777400  0.671171 -2.483093   [DEG:   44.5417   38.4552 -142.2708 ]
ZXZ: -1.687139  2.238721 -2.227312   [DEG:  -96.6659  128.2693 -127.6156 ]
 
# END of job
