
#######################################################
#                                                     #
#                        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  128 (  979),  selected  128 , name one
# Molecule2: number of CA atoms  128 (  979),  selected  128 , 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:   128       1_B - 128_B       1.24     1.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       1_B - 128_B       1.24     1.24
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   104       1_B - 104_B       0.98     1.25
  LCS_AVERAGE:     69.42

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  128
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     Q     1_B     Q     1_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     2_B     V     2_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q     3_B     Q     3_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L     4_B     L     4_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V     5_B     V     5_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E     6_B     E     6_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S     7_B     S     7_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     8_B     G     8_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G     9_B     G     9_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    10_B     G    10_B    104  128  128     53  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    11_B     S    11_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    12_B     V    12_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    13_B     Q    13_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    14_B     A    14_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    15_B     G    15_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    16_B     G    16_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    17_B     S    17_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    18_B     L    18_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    19_B     R    19_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    20_B     L    20_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    21_B     S    21_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    22_B     C    22_B    104  128  128     75  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    23_B     A    23_B    104  128  128     53  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    24_B     A    24_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    25_B     S    25_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    26_B     G    26_B    104  128  128     70  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    27_B     Y    27_B    104  128  128      4   17   79  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    28_B     T    28_B    104  128  128      9   70  101  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    29_B     Y    29_B    104  128  128      3    3   24   39  101  121  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    30_B     S    30_B    104  128  128      3   44  101  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    31_B     M    31_B    104  128  128      3    3   70   99  117  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    32_B     Y    32_B    104  128  128     21  104  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    33_B     C    33_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    34_B     M    34_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    35_B     G    35_B    104  128  128     76  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W    36_B     W    36_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    37_B     F    37_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    38_B     R    38_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    39_B     Q    39_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    40_B     A    40_B    104  128  128     30  102  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    41_B     P    41_B    104  128  128      4   77  111  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    42_B     G    42_B    104  128  128     28  104  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    43_B     K    43_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    44_B     E    44_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    45_B     R    45_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    46_B     E    46_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    47_B     G    47_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    48_B     V    48_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    49_B     A    49_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    50_B     G    50_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    51_B     I    51_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    52_B     C    52_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    53_B     A    53_B    104  128  128     62  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    54_B     N    54_B    104  128  128     40  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    55_B     G    55_B    104  128  128     54  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    56_B     K    56_B    104  128  128     43  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    57_B     A    57_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    58_B     I    58_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     H    59_B     H    59_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    60_B     Y    60_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    61_B     V    61_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    62_B     D    62_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    63_B     S    63_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    64_B     V    64_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    65_B     K    65_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G    66_B     G    66_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R    67_B     R    67_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     F    68_B     F    68_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    69_B     T    69_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I    70_B     I    70_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    71_B     S    71_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    72_B     Q    72_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    73_B     D    73_B    104  128  128     76  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    74_B     N    74_B    104  128  128     82  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    75_B     A    75_B    104  128  128     71  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    76_B     K    76_B    104  128  128     76  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    77_B     N    77_B    104  128  128     62  104  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    78_B     T    78_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V    79_B     V    79_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    80_B     Y    80_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    81_B     L    81_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q    82_B     Q    82_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    83_B     M    83_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N    84_B     N    84_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S    85_B     S    85_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L    86_B     L    86_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     K    87_B     K    87_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     P    88_B     P    88_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E    89_B     E    89_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    90_B     D    90_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T    91_B     T    91_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    92_B     A    92_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     M    93_B     M    93_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    94_B     Y    94_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y    95_B     Y    95_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     C    96_B     C    96_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    97_B     A    97_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     A    98_B     A    98_B    104  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     D    99_B     D    99_B    104  128  128     53  104  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   100_B     S   100_B    104  128  128     18   93  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   101_B     R   101_B    104  128  128     17  102  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   102_B     G   102_B    104  128  128      5   90  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   103_B     G   103_B    104  128  128      4    6   97  112  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     I   104_B     I   104_B    104  128  128      4    8   59   93  118  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   105_B     W   105_B     75  128  128      4   18   32   78  118  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   106_B     Y   106_B     75  128  128      4   26   54   76  118  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     E   107_B     E   107_B      4  128  128      3    4    6   40  117  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   108_B     Q   108_B      4  128  128      3    4    6    8    9   57  118  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   109_B     Q   109_B     20  128  128      3    4   45   79  117  121  123  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   110_B     L   110_B     20  128  128     82  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   111_B     S   111_B     20  128  128     60  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   112_B     T   112_B     20  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     L   113_B     L   113_B     20  128  128     27  100  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     R   114_B     R   114_B     20  128  128      5   63  111  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   115_B     Y   115_B     20  128  128     40  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     N   116_B     N   116_B     20  128  128     41  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Y   117_B     Y   117_B     20  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     W   118_B     W   118_B     20  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   119_B     G   119_B     20  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   120_B     Q   120_B     20  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     G   121_B     G   121_B     20  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   122_B     T   122_B     20  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     Q   123_B     Q   123_B     20  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   124_B     V   124_B     20  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     T   125_B     T   125_B     20  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     V   126_B     V   126_B     20  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   127_B     S   127_B     20  128  128     83  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_GDT     S   128_B     S   128_B     20  128  128     74  105  114  116  120  122  126  127  128  128  128  128  128  128  128  128  128  128  128  128 
LCS_AVERAGE  LCS_A:  89.81  (  69.42  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     83    105    114    116    120    122    126    127    128    128    128    128    128    128    128    128    128    128    128    128 
GDT PERCENT_AT  64.84  82.03  89.06  90.62  93.75  95.31  98.44  99.22 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.45   0.57   0.61   0.76   0.96   1.11   1.15   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24
GDT RMS_ALL_AT   1.27   1.26   1.27   1.28   1.27   1.26   1.25   1.25   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24   1.24

# Checking swapping
#   possible swapping detected:  E     6_B      E     6_B
#   possible swapping detected:  Y    32_B      Y    32_B
#   possible swapping detected:  F    37_B      F    37_B
#   possible swapping detected:  E    44_B      E    44_B
#   possible swapping detected:  E    89_B      E    89_B
#   possible swapping detected:  Y    94_B      Y    94_B
#   possible swapping detected:  E   107_B      E   107_B
#   possible swapping detected:  Y   115_B      Y   115_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q     1_B      Q     1_B     0.325     0    0.054   0.443     1.988   97.619   91.746
LGA    V     2_B      V     2_B     0.271     0    0.053   0.084     0.578   97.619   98.639
LGA    Q     3_B      Q     3_B     0.313     0    0.028   1.195     4.657  100.000   81.534
LGA    L     4_B      L     4_B     0.308     0    0.022   0.057     0.424  100.000  100.000
LGA    V     5_B      V     5_B     0.394     0    0.029   0.108     0.880   97.619   94.558
LGA    E     6_B      E     6_B     0.179     0    0.067   0.112     0.380  100.000  100.000
LGA    S     7_B      S     7_B     0.293     0    0.008   0.099     0.662  100.000   98.413
LGA    G     8_B      G     8_B     0.215     0    0.017   0.017     0.379  100.000  100.000
LGA    G     9_B      G     9_B     0.454     0    0.049   0.049     0.475  100.000  100.000
LGA    G    10_B      G    10_B     0.791     0    0.011   0.011     0.791   92.857   92.857
LGA    S    11_B      S    11_B     0.491     0    0.170   0.774     1.937   88.452   87.778
LGA    V    12_B      V    12_B     0.535     0    0.138   0.906     2.112   90.595   84.354
LGA    Q    13_B      Q    13_B     0.706     0    0.030   0.829     2.044   90.476   85.608
LGA    A    14_B      A    14_B     0.521     0    0.045   0.082     0.685   95.238   94.286
LGA    G    15_B      G    15_B     0.109     0    0.096   0.096     0.602   97.619   97.619
LGA    G    16_B      G    16_B     0.355     0    0.021   0.021     0.355  100.000  100.000
LGA    S    17_B      S    17_B     0.394     0    0.022   0.129     0.543  100.000   98.413
LGA    L    18_B      L    18_B     0.236     0    0.015   1.274     2.865  100.000   87.917
LGA    R    19_B      R    19_B     0.204     0    0.018   0.677     2.750  100.000   91.861
LGA    L    20_B      L    20_B     0.191     0    0.012   0.063     0.307  100.000  100.000
LGA    S    21_B      S    21_B     0.323     0    0.015   0.157     0.612  100.000   98.413
LGA    C    22_B      C    22_B     0.752     0    0.053   0.091     1.281   90.476   88.968
LGA    A    23_B      A    23_B     0.873     0    0.045   0.072     0.941   90.476   90.476
LGA    A    24_B      A    24_B     0.520     0    0.056   0.057     0.659   92.857   92.381
LGA    S    25_B      S    25_B     0.166     0    0.031   0.100     0.891   97.619   95.238
LGA    G    26_B      G    26_B     0.936     0    0.081   0.081     1.835   86.190   86.190
LGA    Y    27_B      Y    27_B     2.220     0    0.622   0.992     6.823   60.119   52.103
LGA    T    28_B      T    28_B     2.610     0    0.602   0.468     4.247   54.048   47.687
LGA    Y    29_B      Y    29_B     4.001     0    0.681   1.259    12.066   43.571   16.825
LGA    S    30_B      S    30_B     2.405     0    0.310   0.766     3.350   60.952   61.111
LGA    M    31_B      M    31_B     3.345     0    0.373   0.585    11.726   61.190   34.583
LGA    Y    32_B      Y    32_B     1.114     0    0.584   1.358    10.061   77.619   39.524
LGA    C    33_B      C    33_B     0.315     0    0.054   0.210     1.389   92.976   90.635
LGA    M    34_B      M    34_B     0.621     0    0.033   0.872     3.964   92.857   85.774
LGA    G    35_B      G    35_B     0.850     0    0.061   0.061     0.850   90.476   90.476
LGA    W    36_B      W    36_B     0.355     0    0.015   0.041     0.599  100.000   97.279
LGA    F    37_B      F    37_B     0.307     0    0.039   0.100     0.347  100.000  100.000
LGA    R    38_B      R    38_B     0.264     0    0.006   0.127     0.723  100.000   99.134
LGA    Q    39_B      Q    39_B     0.250     0    0.086   0.150     1.029   95.238   93.704
LGA    A    40_B      A    40_B     1.308     0    0.057   0.064     1.478   83.690   83.238
LGA    P    41_B      P    41_B     1.763     0    0.041   0.071     2.447   79.405   73.129
LGA    G    42_B      G    42_B     1.173     0    0.303   0.303     1.482   81.429   81.429
LGA    K    43_B      K    43_B     0.685     0    0.038   0.955     3.845   90.476   82.275
LGA    E    44_B      E    44_B     0.455     0    0.021   0.761     3.425   92.857   79.577
LGA    R    45_B      R    45_B     0.295     0    0.069   0.366     1.173  100.000   98.312
LGA    E    46_B      E    46_B     0.413     0    0.073   0.569     1.768  100.000   89.735
LGA    G    47_B      G    47_B     0.560     0    0.051   0.051     1.073   88.214   88.214
LGA    V    48_B      V    48_B     0.334     0    0.040   0.044     0.448  100.000  100.000
LGA    A    49_B      A    49_B     0.309     0    0.017   0.021     0.334  100.000  100.000
LGA    G    50_B      G    50_B     0.397     0    0.017   0.017     0.460  100.000  100.000
LGA    I    51_B      I    51_B     0.385     0    0.030   0.068     0.643   97.619   95.238
LGA    C    52_B      C    52_B     0.317     0    0.035   0.148     0.667   95.238   95.238
LGA    A    53_B      A    53_B     0.830     0    0.076   0.093     0.947   90.476   90.476
LGA    N    54_B      N    54_B     0.962     0    0.045   0.191     1.639   88.214   83.750
LGA    G    55_B      G    55_B     0.759     0    0.009   0.009     0.819   90.476   90.476
LGA    K    56_B      K    56_B     0.865     0    0.034   0.522     1.547   90.476   85.503
LGA    A    57_B      A    57_B     0.340     0    0.059   0.091     0.606   97.619   98.095
LGA    I    58_B      I    58_B     0.151     0    0.024   0.055     0.320  100.000  100.000
LGA    H    59_B      H    59_B     0.183     0    0.021   1.256     5.968  100.000   68.190
LGA    Y    60_B      Y    60_B     0.187     0    0.041   0.098     0.408  100.000  100.000
LGA    V    61_B      V    61_B     0.246     0    0.039   1.200     2.871  100.000   88.844
LGA    D    62_B      D    62_B     0.208     0    0.024   0.206     0.696  100.000   98.810
LGA    S    63_B      S    63_B     0.271     0    0.054   0.057     0.451  100.000  100.000
LGA    V    64_B      V    64_B     0.101     0    0.051   0.122     0.284  100.000  100.000
LGA    K    65_B      K    65_B     0.191     0    0.024   0.174     0.618  100.000   98.942
LGA    G    66_B      G    66_B     0.448     0    0.032   0.032     0.610   97.619   97.619
LGA    R    67_B      R    67_B     0.342     0    0.015   0.068     0.440  100.000  100.000
LGA    F    68_B      F    68_B     0.270     0    0.030   0.074     0.430  100.000  100.000
LGA    T    69_B      T    69_B     0.231     0    0.039   0.047     0.285  100.000  100.000
LGA    I    70_B      I    70_B     0.202     0    0.033   0.076     0.395  100.000  100.000
LGA    S    71_B      S    71_B     0.058     0    0.035   0.057     0.159  100.000  100.000
LGA    Q    72_B      Q    72_B     0.424     0    0.028   0.284     1.304   97.619   91.640
LGA    D    73_B      D    73_B     0.634     0    0.031   0.181     1.624   92.857   87.202
LGA    N    74_B      N    74_B     0.507     0    0.061   0.909     2.276   92.857   86.429
LGA    A    75_B      A    75_B     0.941     0    0.052   0.048     0.992   90.476   90.476
LGA    K    76_B      K    76_B     0.718     0    0.149   0.275     1.211   88.214   90.529
LGA    N    77_B      N    77_B     1.079     0    0.093   0.187     2.128   88.214   79.583
LGA    T    78_B      T    78_B     0.456     0    0.087   0.100     0.593   97.619   95.918
LGA    V    79_B      V    79_B     0.294     0    0.039   0.974     2.431  100.000   89.932
LGA    Y    80_B      Y    80_B     0.157     0    0.057   0.084     0.817  100.000   96.825
LGA    L    81_B      L    81_B     0.293     0    0.026   0.053     0.361  100.000  100.000
LGA    Q    82_B      Q    82_B     0.243     0    0.032   0.106     0.491  100.000  100.000
LGA    M    83_B      M    83_B     0.342     0    0.075   0.121     0.542  100.000   98.810
LGA    N    84_B      N    84_B     0.175     0    0.023   0.124     0.650  100.000   97.619
LGA    S    85_B      S    85_B     0.102     0    0.028   0.079     0.295  100.000  100.000
LGA    L    86_B      L    86_B     0.055     0    0.045   0.093     0.202  100.000  100.000
LGA    K    87_B      K    87_B     0.200     0    0.011   0.122     0.907  100.000   98.942
LGA    P    88_B      P    88_B     0.469     0    0.010   0.042     0.634   97.619   95.918
LGA    E    89_B      E    89_B     0.515     0    0.055   0.380     1.072   97.619   91.640
LGA    D    90_B      D    90_B     0.176     0    0.018   0.043     0.235  100.000  100.000
LGA    T    91_B      T    91_B     0.138     0    0.085   0.112     0.572   97.619   98.639
LGA    A    92_B      A    92_B     0.224     0    0.022   0.037     0.320  100.000  100.000
LGA    M    93_B      M    93_B     0.220     0    0.008   1.047     2.398  100.000   91.012
LGA    Y    94_B      Y    94_B     0.258     0    0.032   0.061     0.317  100.000  100.000
LGA    Y    95_B      Y    95_B     0.348     0    0.022   0.040     0.426  100.000  100.000
LGA    C    96_B      C    96_B     0.362     0    0.012   0.053     0.581  100.000   98.413
LGA    A    97_B      A    97_B     0.371     0    0.054   0.061     0.697   97.619   98.095
LGA    A    98_B      A    98_B     0.523     0    0.115   0.136     0.639   92.857   92.381
LGA    D    99_B      D    99_B     1.203     0    0.022   0.645     1.931   81.429   80.417
LGA    S   100_B      S   100_B     1.953     0    0.016   0.108     2.670   70.833   66.270
LGA    R   101_B      R   101_B     1.370     0    0.582   0.729     3.440   71.429   70.260
LGA    G   102_B      G   102_B     1.763     0    0.630   0.630     2.490   70.833   70.833
LGA    G   103_B      G   103_B     2.827     0    0.180   0.180     2.827   65.119   65.119
LGA    I   104_B      I   104_B     3.283     0    0.032   0.661     6.990   57.262   40.774
LGA    W   105_B      W   105_B     3.519     0    0.039   0.629     5.715   37.976   31.837
LGA    Y   106_B      Y   106_B     4.043     0    0.609   0.601     5.611   37.262   31.310
LGA    E   107_B      E   107_B     3.815     0    0.616   0.424     7.494   40.357   28.042
LGA    Q   108_B      Q   108_B     5.445     0    0.094   0.195    13.648   29.524   13.968
LGA    Q   109_B      Q   109_B     3.646     0    0.564   1.453    12.272   52.143   26.984
LGA    L   110_B      L   110_B     0.768     0    0.316   0.295     1.721   85.952   82.619
LGA    S   111_B      S   111_B     0.817     0    0.120   0.486     1.694   90.476   87.540
LGA    T   112_B      T   112_B     0.599     0    0.012   0.037     1.141   90.595   90.544
LGA    L   113_B      L   113_B     1.606     0    0.114   0.197     2.592   72.976   67.917
LGA    R   114_B      R   114_B     2.035     0    0.018   1.612     8.279   70.833   46.147
LGA    Y   115_B      Y   115_B     0.925     0    0.050   0.143     1.205   85.952   84.444
LGA    N   116_B      N   116_B     0.705     0    0.016   0.218     0.967   90.476   90.476
LGA    Y   117_B      Y   117_B     0.458     0    0.041   0.157     1.999   97.619   86.944
LGA    W   118_B      W   118_B     0.343     0    0.034   0.083     0.697  100.000   95.918
LGA    G   119_B      G   119_B     0.193     0    0.017   0.017     0.193  100.000  100.000
LGA    Q   120_B      Q   120_B     0.376     0    0.048   1.034     3.024  100.000   85.344
LGA    G   121_B      G   121_B     0.351     0    0.030   0.030     0.351  100.000  100.000
LGA    T   122_B      T   122_B     0.265     0    0.016   0.126     0.438  100.000  100.000
LGA    Q   123_B      Q   123_B     0.042     0    0.046   0.198     0.681  100.000   98.942
LGA    V   124_B      V   124_B     0.187     0    0.061   0.105     0.501  100.000   98.639
LGA    T   125_B      T   125_B     0.257     0    0.069   0.441     1.222   97.619   93.333
LGA    V   126_B      V   126_B     0.344     0    0.030   0.031     0.525   95.238   97.279
LGA    S   127_B      S   127_B     0.832     0    0.055   0.628     2.782   90.476   84.921
LGA    S   128_B      S   128_B     1.079     0    0.061   0.600     2.822   83.690   80.397

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      128     512    512  100.00     979    979  100.00               128
SUMMARY(RMSD_GDC):     1.243          1.253                  2.259           90.592   86.566

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  128  128    4.0    127    1.15    92.969    96.279    10.137

LGA_LOCAL      RMSD:   1.153  Number of atoms:  127  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.245  Number of assigned atoms:  128 
Std_ASGN_ATOMS RMSD:   1.243  Standard rmsd on all 128 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.601232 * X  +  -0.293233 * Y  +   0.743326 * Z  +  31.834948
  Y_new =   0.767131 * X  +   0.472199 * Y  +  -0.434210 * Z  +  -7.988744
  Z_new =  -0.223673 * X  +   0.831290 * Y  +   0.508850 * Z  +  26.290943 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.906048  0.225581  1.021512   [DEG:   51.9127   12.9248   58.5283 ]
ZXZ:  1.042117  1.036948 -0.262842   [DEG:   59.7089   59.4128  -15.0597 ]
 
# END of job
