
#######################################################
#                                                     #
#                        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       1.16     1.16
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   126       7_B - 134_B       1.16     1.16
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   121       7_B - 129_B       0.98     1.17
  LCS_AVERAGE:     93.35

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    121  126  126     25  104  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E     8_B     E     8_B    121  126  126     39  104  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A     9_B     A     9_B    121  126  126     50  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    10_B     K    10_B    121  126  126     49  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    11_B     E    11_B    121  126  126     49  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    12_B     A    12_B    121  126  126     67  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    13_B     I    13_B    121  126  126     72  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    14_B     I    14_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    15_B     A    15_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    16_B     M    16_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    17_B     L    17_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    18_B     K    18_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    19_B     E    19_B    121  126  126     71  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W    20_B     W    20_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    21_B     Y    21_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    22_B     D    22_B    121  126  126     53  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    23_B     A    23_B    121  126  126     58  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    24_B     M    24_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    25_B     N    25_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    26_B     E    26_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    27_B     G    27_B    121  126  126     62  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    28_B     D    28_B    121  126  126     60  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    29_B     M    29_B    121  126  126     54  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    30_B     E    30_B    121  126  126     57  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    31_B     K    31_B    121  126  126     57  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    32_B     L    32_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    33_B     R    33_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    34_B     S    34_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    35_B     L    35_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    36_B     V    36_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    37_B     D    37_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    38_B     P    38_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    39_B     D    39_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    40_B     A    40_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    41_B     S    41_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    42_B     F    42_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    43_B     V    43_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    44_B     D    44_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    45_B     A    45_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    46_B     R    46_B    121  126  126     67  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    47_B     T    47_B    121  126  126     55  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     N    48_B     N    48_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    49_B     Q    49_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    50_B     V    50_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y    51_B     Y    51_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    52_B     D    52_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    53_B     K    53_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    54_B     D    54_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    55_B     Q    55_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F    56_B     F    56_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    57_B     L    57_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    58_B     Q    58_B    121  126  126     69  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    59_B     M    59_B    121  126  126     68  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    60_B     I    60_B    121  126  126     65  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    61_B     K    61_B    121  126  126     66  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    62_B     E    62_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    63_B     A    63_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    64_B     L    64_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    65_B     E    65_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    66_B     Q    66_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    67_B     D    67_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L    68_B     L    68_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    69_B     K    69_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    70_B     V    70_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    71_B     E    71_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    72_B     V    72_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    73_B     K    73_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S    74_B     S    74_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    75_B     I    75_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    76_B     D    76_B    121  126  126     72  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    77_B     I    77_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E    78_B     E    78_B    121  126  126     16   97  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    79_B     Q    79_B    121  126  126      3    3    4   47  108  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q    80_B     Q    80_B    121  126  126      3   11   25  102  118  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     P    81_B     P    81_B    121  126  126      5   21   69  116  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    82_B     D    82_B    121  126  126      3    3    4   33   49  118  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G    83_B     G    83_B    121  126  126      5   14   87  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D    84_B     D    84_B    121  126  126      5   48   88  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    85_B     V    85_B    121  126  126     70  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    86_B     V    86_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I    87_B     I    87_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    88_B     V    88_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    89_B     K    89_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    90_B     V    90_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K    91_B     K    91_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    92_B     V    92_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    93_B     R    93_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     A    94_B     A    94_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T    95_B     T    95_B    121  126  126     65  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     M    96_B     M    96_B    121  126  126     43  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V    97_B     V    97_B    121  126  126     23  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R    98_B     R    98_B    121  126  126     43  105  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   101_B     Q   101_B    121  126  126     57  105  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   102_B     E   102_B    121  126  126     23  103  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     H   103_B     H   103_B    121  126  126     57  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   104_B     V   104_B    121  126  126     26  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   105_B     F   105_B    121  126  126     43  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   106_B     E   106_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   107_B     V   107_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   108_B     V   108_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   109_B     D   109_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   110_B     T   110_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Y   111_B     Y   111_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   112_B     E   112_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     F   113_B     F   113_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   114_B     R   114_B    121  126  126     72  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     R   115_B     R   115_B    121  126  126     44  105  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   116_B     K   116_B    121  126  126     72  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   117_B     G   117_B    121  126  126     24  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     D   118_B     D   118_B    121  126  126     72  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   119_B     S   119_B    121  126  126     27  105  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     W   120_B     W   120_B    121  126  126     36  105  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   121_B     K   121_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   122_B     I   122_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   123_B     V   123_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     K   124_B     K   124_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   125_B     L   125_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     V   126_B     V   126_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   127_B     S   127_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     E   128_B     E   128_B    121  126  126     73  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     I   129_B     I   129_B    121  126  126     23  106  115  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     T   130_B     T   130_B    119  126  126      3    7   32  102  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     Q   131_B     Q   131_B     46  126  126      3    7   26   49   89  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     L   132_B     L   132_B      5  126  126      3    5  106  118  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     G   133_B     G   133_B      5  126  126      3    5   87  114  120  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_GDT     S   134_B     S   134_B      5  126  126     11   43   76  110  119  122  126  126  126  126  126  126  126  126  126  126  126  126  126  126 
LCS_AVERAGE  LCS_A:  97.78  (  93.35  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     73    106    115    118    120    122    126    126    126    126    126    126    126    126    126    126    126    126    126    126 
GDT PERCENT_AT  57.94  84.13  91.27  93.65  95.24  96.83 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.49   0.58   0.71   0.80   0.91   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16
GDT RMS_ALL_AT   1.23   1.25   1.23   1.21   1.19   1.17   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16   1.16

# 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:  D    39_B      D    39_B
#   possible swapping detected:  F    42_B      F    42_B
#   possible swapping detected:  F    56_B      F    56_B
#   possible swapping detected:  E    62_B      E    62_B
#   possible swapping detected:  E    65_B      E    65_B
#   possible swapping detected:  E    71_B      E    71_B
#   possible swapping detected:  D    76_B      D    76_B
#   possible swapping detected:  E   106_B      E   106_B
#   possible swapping detected:  Y   111_B      Y   111_B
#   possible swapping detected:  E   112_B      E   112_B
#   possible swapping detected:  F   113_B      F   113_B
#   possible swapping detected:  D   118_B      D   118_B
#   possible swapping detected:  E   128_B      E   128_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     1.906     0    0.302   0.934     3.472   68.929   68.730
LGA    E     8_B      E     8_B     1.602     0    0.053   1.030     5.345   77.143   59.259
LGA    A     9_B      A     9_B     1.452     0    0.052   0.074     1.563   81.429   79.714
LGA    K    10_B      K    10_B     1.439     0    0.045   0.183     1.660   81.429   78.571
LGA    E    11_B      E    11_B     1.290     0    0.047   0.715     4.773   81.429   67.037
LGA    A    12_B      A    12_B     1.074     0    0.026   0.029     1.371   85.952   85.048
LGA    I    13_B      I    13_B     0.892     0    0.015   0.479     1.424   90.476   87.083
LGA    I    14_B      I    14_B     0.559     0    0.037   0.202     1.522   95.238   90.655
LGA    A    15_B      A    15_B     0.226     0    0.054   0.079     0.398  100.000  100.000
LGA    M    16_B      M    16_B     0.495     0    0.016   0.971     4.857  100.000   82.440
LGA    L    17_B      L    17_B     0.134     0    0.012   0.063     0.677  100.000   96.429
LGA    K    18_B      K    18_B     0.335     0    0.062   0.305     1.371   97.619   96.878
LGA    E    19_B      E    19_B     0.609     0    0.042   0.307     1.039   92.857   90.529
LGA    W    20_B      W    20_B     0.457     0    0.018   0.260     0.931   97.619   97.279
LGA    Y    21_B      Y    21_B     0.467     0    0.036   0.138     0.660   97.619   97.619
LGA    D    22_B      D    22_B     0.747     0    0.058   0.073     0.965   90.476   90.476
LGA    A    23_B      A    23_B     0.815     0    0.022   0.030     0.935   90.476   90.476
LGA    M    24_B      M    24_B     0.635     0    0.041   0.923     2.760   90.476   82.083
LGA    N    25_B      N    25_B     0.677     0    0.043   0.079     0.910   90.476   90.476
LGA    E    26_B      E    26_B     0.731     0    0.011   0.118     0.915   90.476   91.534
LGA    G    27_B      G    27_B     1.003     0    0.040   0.040     1.148   83.690   83.690
LGA    D    28_B      D    28_B     1.003     0    0.051   0.121     1.673   88.214   83.750
LGA    M    29_B      M    29_B     0.857     0    0.035   0.610     1.292   88.214   88.274
LGA    E    30_B      E    30_B     0.853     0    0.063   0.985     3.774   90.476   76.667
LGA    K    31_B      K    31_B     0.775     0    0.076   1.033     5.730   90.476   68.889
LGA    L    32_B      L    32_B     0.470     0    0.039   0.091     0.544   92.857   96.429
LGA    R    33_B      R    33_B     0.609     0    0.055   1.140     5.988   90.476   73.983
LGA    S    34_B      S    34_B     0.525     0    0.109   0.131     0.894   90.476   90.476
LGA    L    35_B      L    35_B     0.192     0    0.104   0.120     0.355  100.000  100.000
LGA    V    36_B      V    36_B     0.337     0    0.024   0.066     0.440  100.000  100.000
LGA    D    37_B      D    37_B     0.450     0    0.015   0.062     0.832  100.000   95.238
LGA    P    38_B      P    38_B     0.367     0    0.054   0.067     0.620  100.000   97.279
LGA    D    39_B      D    39_B     0.319     0    0.021   0.713     2.141  100.000   93.214
LGA    A    40_B      A    40_B     0.128     0    0.034   0.034     0.184  100.000  100.000
LGA    S    41_B      S    41_B     0.090     0    0.102   0.097     0.329  100.000  100.000
LGA    F    42_B      F    42_B     0.406     0    0.056   0.104     0.548   97.619   99.134
LGA    V    43_B      V    43_B     0.578     0    0.055   0.072     0.738   90.476   90.476
LGA    D    44_B      D    44_B     0.516     0    0.043   0.073     0.623   92.857   91.667
LGA    A    45_B      A    45_B     0.714     0    0.104   0.102     0.907   90.476   90.476
LGA    R    46_B      R    46_B     1.131     0    0.029   1.732     9.740   85.952   54.199
LGA    T    47_B      T    47_B     0.853     0    0.032   0.053     1.182   90.476   89.184
LGA    N    48_B      N    48_B     0.235     0    0.037   1.094     2.948  100.000   91.131
LGA    Q    49_B      Q    49_B     0.609     0    0.060   0.167     1.511   95.238   87.672
LGA    V    50_B      V    50_B     0.440     0    0.015   0.048     0.814  100.000   95.918
LGA    Y    51_B      Y    51_B     0.294     0    0.031   0.110     0.899  100.000   96.032
LGA    D    52_B      D    52_B     0.313     0    0.042   0.191     0.840  100.000   98.810
LGA    K    53_B      K    53_B     0.182     0    0.034   0.123     0.530  100.000   97.884
LGA    D    54_B      D    54_B     0.192     0    0.052   0.181     0.357  100.000  100.000
LGA    Q    55_B      Q    55_B     0.274     0    0.053   0.075     0.594  100.000   98.942
LGA    F    56_B      F    56_B     0.189     0    0.021   0.059     0.731  100.000   96.537
LGA    L    57_B      L    57_B     0.390     0    0.016   0.070     0.544   97.619   98.810
LGA    Q    58_B      Q    58_B     0.462     0    0.034   1.642     6.421  100.000   71.534
LGA    M    59_B      M    59_B     0.365     0    0.036   0.174     0.715  100.000   97.619
LGA    I    60_B      I    60_B     0.496     0    0.043   0.155     0.915  100.000   96.429
LGA    K    61_B      K    61_B     0.536     0    0.020   0.313     2.029   95.238   87.778
LGA    E    62_B      E    62_B     0.257     0    0.038   0.210     0.914  100.000   98.942
LGA    A    63_B      A    63_B     0.146     0    0.029   0.050     0.174  100.000  100.000
LGA    L    64_B      L    64_B     0.208     0    0.021   0.047     0.277  100.000  100.000
LGA    E    65_B      E    65_B     0.178     0    0.050   0.161     0.754  100.000   96.825
LGA    Q    66_B      Q    66_B     0.205     0    0.047   0.839     2.058   97.619   92.011
LGA    D    67_B      D    67_B     0.470     0    0.063   0.147     1.231  100.000   94.107
LGA    L    68_B      L    68_B     0.297     0    0.034   0.041     0.455  100.000  100.000
LGA    K    69_B      K    69_B     0.291     0    0.054   0.880     4.313  100.000   86.085
LGA    V    70_B      V    70_B     0.484     0    0.068   0.093     0.864   95.238   94.558
LGA    E    71_B      E    71_B     0.383     0    0.037   0.578     1.541  100.000   94.868
LGA    V    72_B      V    72_B     0.204     0    0.033   0.066     0.282  100.000  100.000
LGA    K    73_B      K    73_B     0.390     0    0.043   0.497     1.868  100.000   91.852
LGA    S    74_B      S    74_B     0.428     0    0.041   0.054     0.544   97.619   96.825
LGA    I    75_B      I    75_B     0.501     0    0.055   0.154     1.083   90.595   94.107
LGA    D    76_B      D    76_B     0.942     0    0.066   0.744     2.586   90.476   81.845
LGA    I    77_B      I    77_B     0.620     0    0.097   0.152     2.245   92.976   85.179
LGA    E    78_B      E    78_B     1.187     0    0.050   0.591     4.689   81.786   61.958
LGA    Q    79_B      Q    79_B     4.119     0    0.052   0.915    12.030   43.690   21.640
LGA    Q    80_B      Q    80_B     3.431     0    0.051   1.581     4.136   51.905   55.291
LGA    P    81_B      P    81_B     2.570     0    0.198   0.364     3.260   53.571   55.102
LGA    D    82_B      D    82_B     4.193     0    0.598   1.181     5.557   36.310   41.726
LGA    G    83_B      G    83_B     2.342     0    0.175   0.175     2.464   64.762   64.762
LGA    D    84_B      D    84_B     1.962     0    0.157   0.533     3.426   75.119   66.310
LGA    V    85_B      V    85_B     0.496     0    0.071   0.133     0.810   95.238   95.918
LGA    V    86_B      V    86_B     0.706     0    0.027   0.244     1.215   90.476   89.184
LGA    I    87_B      I    87_B     0.625     0    0.050   0.181     0.901   92.857   91.667
LGA    V    88_B      V    88_B     0.649     0    0.029   0.081     0.932   90.476   90.476
LGA    K    89_B      K    89_B     0.665     0    0.022   0.480     2.034   92.857   86.667
LGA    V    90_B      V    90_B     0.455     0    0.018   0.050     0.470  100.000  100.000
LGA    K    91_B      K    91_B     0.411     0    0.053   0.194     0.816  100.000   94.709
LGA    V    92_B      V    92_B     0.579     0    0.067   0.078     0.622   95.238   93.197
LGA    R    93_B      R    93_B     0.417     0    0.091   0.242     1.164  100.000   93.160
LGA    A    94_B      A    94_B     0.369     0    0.037   0.049     0.473  100.000  100.000
LGA    T    95_B      T    95_B     0.766     0    0.065   1.050     2.168   92.857   83.197
LGA    M    96_B      M    96_B     0.922     0    0.069   0.388     1.984   90.476   86.012
LGA    V    97_B      V    97_B     1.285     0    0.042   0.116     1.437   83.690   82.721
LGA    R    98_B      R    98_B     1.043     0    0.111   1.225     6.402   81.548   63.160
LGA    Q   101_B      Q   101_B     1.217     0    0.186   0.689     3.415   81.548   76.138
LGA    E   102_B      E   102_B     1.239     0    0.065   0.563     2.077   81.429   76.772
LGA    H   103_B      H   103_B     1.015     0    0.138   0.222     2.093   85.952   79.857
LGA    V   104_B      V   104_B     1.117     0    0.028   0.084     1.835   81.429   80.204
LGA    F   105_B      F   105_B     0.800     0    0.038   1.186     3.755   90.476   79.394
LGA    E   106_B      E   106_B     0.522     0    0.083   1.053     4.749   90.476   69.894
LGA    V   107_B      V   107_B     0.450     0    0.036   0.061     0.482  100.000  100.000
LGA    V   108_B      V   108_B     0.561     0    0.046   0.094     0.791   90.476   91.837
LGA    D   109_B      D   109_B     0.663     0    0.048   0.095     0.976   90.476   90.476
LGA    T   110_B      T   110_B     0.748     0    0.052   0.062     1.024   90.476   89.184
LGA    Y   111_B      Y   111_B     0.531     0    0.026   0.083     0.882   90.476   90.476
LGA    E   112_B      E   112_B     0.432     0    0.037   0.299     1.234   97.619   94.762
LGA    F   113_B      F   113_B     0.528     0    0.054   0.210     1.515   90.476   84.805
LGA    R   114_B      R   114_B     0.552     0    0.054   0.441     1.775   90.476   87.316
LGA    R   115_B      R   115_B     0.953     0    0.033   1.229     2.916   88.214   81.126
LGA    K   116_B      K   116_B     0.728     0    0.059   0.663     1.530   90.476   87.513
LGA    G   117_B      G   117_B     0.988     0    0.038   0.038     0.997   90.476   90.476
LGA    D   118_B      D   118_B     0.702     0    0.103   0.561     2.038   88.214   83.869
LGA    S   119_B      S   119_B     0.947     0    0.114   0.158     1.846   92.857   86.190
LGA    W   120_B      W   120_B     0.863     0    0.037   0.195     1.367   90.476   84.014
LGA    K   121_B      K   121_B     0.441     0    0.036   0.164     0.841   92.857   91.534
LGA    I   122_B      I   122_B     0.556     0    0.054   0.107     0.606   95.238   92.857
LGA    V   123_B      V   123_B     0.233     0    0.053   0.077     0.438  100.000  100.000
LGA    K   124_B      K   124_B     0.305     0    0.033   0.135     0.746  100.000   97.884
LGA    L   125_B      L   125_B     0.454     0    0.114   0.141     0.458  100.000  100.000
LGA    V   126_B      V   126_B     0.512     0    0.028   0.078     0.589   92.857   93.197
LGA    S   127_B      S   127_B     0.592     0    0.041   0.119     0.622   90.476   92.063
LGA    E   128_B      E   128_B     0.591     0    0.106   0.792     2.887   95.238   84.074
LGA    I   129_B      I   129_B     0.950     0    0.087   0.189     3.119   83.810   73.452
LGA    T   130_B      T   130_B     3.006     0    0.647   0.910     5.375   49.405   46.259
LGA    Q   131_B      Q   131_B     4.026     0    0.020   1.044    11.523   47.143   23.598
LGA    L   132_B      L   132_B     2.478     0    0.625   0.529     9.374   70.833   41.786
LGA    G   133_B      G   133_B     2.354     0    0.376   0.376     2.354   72.976   72.976
LGA    S   134_B      S   134_B     3.595     0    0.606   0.781     5.483   43.810   38.810

# 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):     1.157          1.142                  1.841           90.123   85.534

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  135  126    4.0    126    1.16    94.444    97.142    10.025

LGA_LOCAL      RMSD:   1.157  Number of atoms:  126  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.157  Number of assigned atoms:  126 
Std_ASGN_ATOMS RMSD:   1.157  Standard rmsd on all 126 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.441229 * X  +   0.095602 * Y  +  -0.892288 * Z  +  11.486671
  Y_new =   0.895373 * X  +   0.019802 * Y  +   0.444876 * Z  +  12.771132
  Z_new =   0.060200 * X  +  -0.995223 * Y  +  -0.076863 * Z  +  27.766552 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.112935 -0.060236 -1.647875   [DEG:   63.7665   -3.4513  -94.4163 ]
ZXZ: -2.033307  1.647735  3.081177   [DEG: -116.4999   94.4083  176.5385 ]
 
# END of job
