
#######################################################
#                                                     #
#                        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  142 ( 1166),  selected  132 , name one
# Molecule2: number of CA atoms  132 ( 1073),  selected  132 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       0.57     0.57
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       0.57     0.57
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       0.57     0.57
  LCS_AVERAGE:    100.00

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
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     D     3_A     D     3_A    132  132  132     11  112  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V     4_A     V     4_A    132  132  132     66  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D     5_A     D     5_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K     6_A     K     6_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R     7_A     R     7_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K     8_A     K     8_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I     9_A     I     9_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    10_A     K    10_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    11_A     I    11_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    12_A     I    12_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    13_A     L    13_A    132  132  132     85  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    14_A     N    14_A    132  132  132     13   42  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    15_A     G    15_A    132  132  132     85  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    16_A     E    16_A    132  132  132     20  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    17_A     M    17_A    132  132  132     58  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    18_A     E    18_A    132  132  132     86  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    19_A     E    19_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    20_A     A    20_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    21_A     E    21_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    22_A     L    22_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    23_A     H    23_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    24_A     M    24_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    25_A     I    25_A    132  132  132     85  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    26_A     T    26_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    27_A     S    27_A    132  132  132     80  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    28_A     P    28_A    132  132  132     33  115  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    29_A     N    29_A    132  132  132     65  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    30_A     R    30_A    132  132  132     73  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    31_A     H    31_A    132  132  132     27  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    32_A     C    32_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    33_A     C    33_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    34_A     L    34_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    35_A     K    35_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    36_A     I    36_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    37_A     F    37_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    38_A     H    38_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    39_A     N    39_A    132  132  132     85  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    40_A     N    40_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    41_A     N    41_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    42_A     Q    42_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    43_A     L    43_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    44_A     A    44_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    45_A     E    45_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    46_A     S    46_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    47_A     N    47_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    48_A     D    48_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    49_A     T    49_A    132  132  132     27  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    50_A     D    50_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    51_A     Y    51_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    52_A     F    52_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    53_A     S    53_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    54_A     C    54_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    55_A     F    55_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    56_A     A    56_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    57_A     D    57_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    58_A     L    58_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    59_A     R    59_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    60_A     N    60_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    61_A     Q    61_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    62_A     L    62_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    63_A     K    63_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    64_A     N    64_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    65_A     I    65_A    132  132  132     83  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    66_A     I    66_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    67_A     F    67_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    68_A     L    68_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    69_A     C    69_A    132  132  132     70  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    70_A     K    70_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    71_A     G    71_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    72_A     A    72_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    73_A     K    73_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    74_A     I    74_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    75_A     N    75_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    76_A     V    76_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    77_A     Y    77_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    78_A     P    78_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    79_A     S    79_A    132  132  132     23  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    80_A     A    80_A    132  132  132     13  123  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    81_A     M    81_A    132  132  132     70  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    82_A     S    82_A    132  132  132     70  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    83_A     R    83_A    132  132  132     44  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    84_A     D    84_A    132  132  132     36  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    85_A     M    85_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    86_A     S    86_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    87_A     D    87_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    88_A     G    88_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    89_A     I    89_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    90_A     V    90_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    91_A     A    91_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    92_A     Y    92_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    93_A     E    93_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    94_A     T    94_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    95_A     T    95_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    96_A     L    96_A    132  132  132      7  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    97_A     G    97_A    132  132  132     85  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    98_A     Q    98_A    132  132  132     69  125  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    99_A     P    99_A    132  132  132     71  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     G   100_A     G   100_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L   101_A     L   101_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P   102_A     P   102_A    132  132  132     70  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   103_A     E   103_A    132  132  132     38  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N   104_A     N   104_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q   105_A     Q   105_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V   106_A     V   106_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H   107_A     H   107_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I   108_A     I   108_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   109_A     F   109_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   110_A     D   110_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   111_A     F   111_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   112_A     E   112_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   113_A     D   113_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K   114_A     K   114_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y   115_A     Y   115_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     V   116_A     V   116_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   117_A     D   117_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I   118_A     I   118_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     T   119_A     T   119_A    132  132  132     87  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     P   120_A     P   120_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   121_A     E   121_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   122_A     E   122_A    132  132  132     87  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q   123_A     Q   123_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     R   124_A     R   124_A    132  132  132     90  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     K   125_A     K   125_A    132  132  132     78  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   126_A     F   126_A    132  132  132     87  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     H   127_A     H   127_A    132  132  132     87  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S   128_A     S   128_A    132  132  132     77  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q   129_A     Q   129_A    132  132  132     73  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     W   130_A     W   130_A    132  132  132     58  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   131_A     F   131_A    132  132  132     77  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   132_A     E   132_A    132  132  132     87  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     S   133_A     S   133_A    132  132  132     78  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L   134_A     L   134_A    132  132  132     49  126  131  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_AVERAGE  LCS_A: 100.00  ( 100.00  100.00  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     90    126    131    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132 
GDT PERCENT_AT  68.18  95.45  99.24 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.51   0.55   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57
GDT RMS_ALL_AT   0.59   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57   0.57

# Checking swapping
#   possible swapping detected:  E    16_A      E    16_A
#   possible swapping detected:  E    18_A      E    18_A
#   possible swapping detected:  F    37_A      F    37_A
#   possible swapping detected:  E    45_A      E    45_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  F    55_A      F    55_A
#   possible swapping detected:  F    67_A      F    67_A
#   possible swapping detected:  Y    77_A      Y    77_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  Y    92_A      Y    92_A
#   possible swapping detected:  F   111_A      F   111_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   122_A      E   122_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     3_A      D     3_A     1.377     3    0.010   0.037     1.638   85.952   52.083
LGA    V     4_A      V     4_A     0.865     0    0.119   0.171     1.578   83.810   84.082
LGA    D     5_A      D     5_A     0.096     0    0.082   0.916     3.937  100.000   84.107
LGA    K     6_A      K     6_A     0.344     0    0.084   0.164     0.602   97.619   97.884
LGA    R     7_A      R     7_A     0.290     0    0.049   1.150     5.997  100.000   72.424
LGA    K     8_A      K     8_A     0.396     0    0.013   0.413     1.717   97.619   91.746
LGA    I     9_A      I     9_A     0.502     0    0.090   1.124     2.535   95.238   81.310
LGA    K    10_A      K    10_A     0.254     0    0.028   0.917     4.312  100.000   86.085
LGA    I    11_A      I    11_A     0.206     0    0.033   0.044     0.435  100.000  100.000
LGA    I    12_A      I    12_A     0.253     0    0.041   0.061     0.739   97.619   96.429
LGA    L    13_A      L    13_A     0.682     0    0.066   0.963     2.610   88.333   83.036
LGA    N    14_A      N    14_A     1.915     0    0.110   0.132     3.606   75.000   63.512
LGA    G    15_A      G    15_A     0.895     0    0.016   0.016     1.217   88.214   88.214
LGA    E    16_A      E    16_A     0.982     0    0.063   0.917     2.700   90.476   79.101
LGA    M    17_A      M    17_A     0.624     0    0.076   0.684     1.849   86.071   82.679
LGA    E    18_A      E    18_A     0.411     0    0.053   0.372     1.904  100.000   92.804
LGA    E    19_A      E    19_A     0.389     0    0.059   0.217     1.039   97.619   93.704
LGA    A    20_A      A    20_A     0.338     0    0.067   0.078     0.527   97.619   98.095
LGA    E    21_A      E    21_A     0.286     0    0.007   0.141     0.763  100.000   96.825
LGA    L    22_A      L    22_A     0.155     0    0.055   0.102     0.340  100.000  100.000
LGA    H    23_A      H    23_A     0.210     0    0.074   0.092     0.428  100.000  100.000
LGA    M    24_A      M    24_A     0.212     0    0.042   0.479     1.757  100.000   95.417
LGA    I    25_A      I    25_A     0.607     0    0.028   0.396     1.217   90.476   89.345
LGA    T    26_A      T    26_A     0.563     0    0.020   0.062     0.716   90.476   90.476
LGA    S    27_A      S    27_A     0.883     0    0.083   0.106     1.783   90.476   84.603
LGA    P    28_A      P    28_A     1.318     0    0.663   0.591     4.123   70.476   77.755
LGA    N    29_A      N    29_A     0.636     0    0.085   0.937     2.688   88.214   84.048
LGA    R    30_A      R    30_A     0.829     0    0.030   0.691     3.527   90.476   73.766
LGA    H    31_A      H    31_A     1.002     0    0.033   1.524     6.715   88.214   56.857
LGA    C    32_A      C    32_A     0.515     0    0.033   0.096     0.734   95.238   96.825
LGA    C    33_A      C    33_A     0.435     0    0.019   0.055     0.592  100.000   96.825
LGA    L    34_A      L    34_A     0.194     0    0.017   0.075     0.251  100.000  100.000
LGA    K    35_A      K    35_A     0.180     0    0.036   0.380     2.144  100.000   93.968
LGA    I    36_A      I    36_A     0.176     0    0.014   0.087     0.406  100.000  100.000
LGA    F    37_A      F    37_A     0.061     0    0.027   0.074     0.481  100.000  100.000
LGA    H    38_A      H    38_A     0.206     0    0.019   0.086     0.554  100.000   98.095
LGA    N    39_A      N    39_A     0.668     0    0.045   1.104     3.412   92.857   84.345
LGA    N    40_A      N    40_A     0.368     0    0.050   0.877     1.979   97.619   92.024
LGA    N    41_A      N    41_A     0.300     0    0.035   0.998     4.555  100.000   79.821
LGA    Q    42_A      Q    42_A     0.218     0    0.039   0.097     0.622   97.619   98.942
LGA    L    43_A      L    43_A     0.227     0    0.058   0.294     1.614  100.000   94.226
LGA    A    44_A      A    44_A     0.289     0    0.026   0.032     0.379  100.000  100.000
LGA    E    45_A      E    45_A     0.260     0    0.026   0.512     2.217  100.000   88.095
LGA    S    46_A      S    46_A     0.327     0    0.034   0.061     0.471  100.000  100.000
LGA    N    47_A      N    47_A     0.267     0    0.019   0.089     0.341  100.000  100.000
LGA    D    48_A      D    48_A     0.493     0    0.052   0.156     0.767   95.238   92.857
LGA    T    49_A      T    49_A     0.922     0    0.121   0.116     2.008   95.238   86.939
LGA    D    50_A      D    50_A     0.287     0    0.044   0.093     0.413  100.000  100.000
LGA    Y    51_A      Y    51_A     0.261     0    0.043   0.090     1.078  100.000   96.071
LGA    F    52_A      F    52_A     0.448     0    0.016   0.049     0.506  100.000   98.268
LGA    S    53_A      S    53_A     0.326     0    0.040   0.051     0.398  100.000  100.000
LGA    C    54_A      C    54_A     0.429     0    0.029   0.076     0.616  100.000   98.413
LGA    F    55_A      F    55_A     0.314     0    0.014   0.315     1.395  100.000   95.758
LGA    A    56_A      A    56_A     0.289     0    0.019   0.029     0.348  100.000  100.000
LGA    D    57_A      D    57_A     0.355     0    0.036   0.494     1.323  100.000   94.167
LGA    L    58_A      L    58_A     0.363     0    0.012   1.273     3.180  100.000   88.036
LGA    R    59_A      R    59_A     0.428     0    0.017   0.725     2.826   97.619   84.589
LGA    N    60_A      N    60_A     0.533     0    0.028   0.903     3.148   97.619   83.571
LGA    Q    61_A      Q    61_A     0.353     0    0.121   0.174     0.560  100.000   98.942
LGA    L    62_A      L    62_A     0.270     0    0.091   0.085     0.397  100.000  100.000
LGA    K    63_A      K    63_A     0.283     0    0.020   0.611     1.981  100.000   94.868
LGA    N    64_A      N    64_A     0.356     0    0.013   0.147     0.807   95.238   94.048
LGA    I    65_A      I    65_A     0.621     0    0.047   0.073     0.735   90.476   90.476
LGA    I    66_A      I    66_A     0.490     0    0.029   0.037     0.675   97.619   95.238
LGA    F    67_A      F    67_A     0.211     0    0.013   0.059     0.864  100.000   96.537
LGA    L    68_A      L    68_A     0.312     0    0.033   0.111     0.562  100.000   98.810
LGA    C    69_A      C    69_A     0.601     0    0.050   0.794     2.439   95.238   89.365
LGA    K    70_A      K    70_A     0.538     0    0.028   0.062     0.877   95.238   92.593
LGA    G    71_A      G    71_A     0.393     0    0.054   0.054     0.487  100.000  100.000
LGA    A    72_A      A    72_A     0.438     0    0.057   0.070     0.453  100.000  100.000
LGA    K    73_A      K    73_A     0.360     0    0.023   0.086     0.548  100.000   98.942
LGA    I    74_A      I    74_A     0.286     0    0.022   0.426     2.069  100.000   95.595
LGA    N    75_A      N    75_A     0.201     0    0.012   0.145     0.915  100.000   97.619
LGA    V    76_A      V    76_A     0.324     0    0.057   0.077     0.586   97.619   97.279
LGA    Y    77_A      Y    77_A     0.340     0    0.051   0.205     0.580  100.000   99.206
LGA    P    78_A      P    78_A     0.463     0    0.062   0.290     1.189   92.976   93.265
LGA    S    79_A      S    79_A     0.893     0    0.050   0.078     0.904   90.476   90.476
LGA    A    80_A      A    80_A     1.127     0    0.017   0.028     1.314   85.952   85.048
LGA    M    81_A      M    81_A     0.791     0    0.009   0.802     2.102   90.476   86.131
LGA    S    82_A      S    82_A     0.794     0    0.026   0.655     1.407   90.476   87.460
LGA    R    83_A      R    83_A     1.063     0    0.021   0.662     1.327   88.214   87.186
LGA    D    84_A      D    84_A     0.855     0    0.099   0.787     2.088   90.476   85.000
LGA    M    85_A      M    85_A     0.425     0    0.017   0.608     1.788   97.619   90.714
LGA    S    86_A      S    86_A     0.346     0    0.042   0.059     0.499  100.000  100.000
LGA    D    87_A      D    87_A     0.332     0    0.029   0.157     1.116  100.000   95.298
LGA    G    88_A      G    88_A     0.188     0    0.025   0.025     0.296  100.000  100.000
LGA    I    89_A      I    89_A     0.331     0    0.009   0.665     2.092  100.000   95.595
LGA    V    90_A      V    90_A     0.293     0    0.026   0.053     0.375  100.000  100.000
LGA    A    91_A      A    91_A     0.353     0    0.070   0.096     0.430  100.000  100.000
LGA    Y    92_A      Y    92_A     0.367     0    0.039   0.119     0.603  100.000   99.206
LGA    E    93_A      E    93_A     0.203     0    0.093   0.892     3.168   97.619   85.238
LGA    T    94_A      T    94_A     0.424     0    0.022   0.066     0.681  100.000   98.639
LGA    T    95_A      T    95_A     0.453     0    0.029   0.079     1.130  100.000   94.626
LGA    L    96_A      L    96_A     0.750     0    0.070   1.401     5.720   88.214   67.560
LGA    G    97_A      G    97_A     0.617     0    0.042   0.042     1.123   90.595   90.595
LGA    Q    98_A      Q    98_A     1.046     0    0.012   0.158     1.535   88.214   83.492
LGA    P    99_A      P    99_A     0.900     0    0.025   0.031     1.553   88.214   82.857
LGA    G   100_A      G   100_A     0.345     0    0.149   0.149     0.633   97.619   97.619
LGA    L   101_A      L   101_A     0.418     0    0.021   0.051     0.536   97.619   97.619
LGA    P   102_A      P   102_A     0.798     0    0.030   0.041     1.196   90.476   87.891
LGA    E   103_A      E   103_A     0.715     0    0.046   0.804     2.602   90.476   83.810
LGA    N   104_A      N   104_A     0.220     0    0.051   0.421     1.046  100.000   96.488
LGA    Q   105_A      Q   105_A     0.169     0    0.072   0.229     1.084  100.000   97.937
LGA    V   106_A      V   106_A     0.371     0    0.026   0.035     0.696   97.619   94.558
LGA    H   107_A      H   107_A     0.423     0    0.032   0.127     0.510  100.000   99.048
LGA    I   108_A      I   108_A     0.428     0    0.034   0.051     0.476  100.000  100.000
LGA    F   109_A      F   109_A     0.422     0    0.014   0.126     0.541  100.000   99.134
LGA    D   110_A      D   110_A     0.542     0    0.055   0.113     0.971   95.238   92.857
LGA    F   111_A      F   111_A     0.341     0    0.033   0.071     0.674   97.619   99.134
LGA    E   112_A      E   112_A     0.489     0    0.012   0.108     0.802  100.000   94.709
LGA    D   113_A      D   113_A     0.492     0    0.054   0.178     0.975   95.238   95.238
LGA    K   114_A      K   114_A     0.508     0    0.050   0.852     2.693   95.238   85.926
LGA    Y   115_A      Y   115_A     0.454     0    0.016   0.283     2.029  100.000   85.595
LGA    V   116_A      V   116_A     0.192     0    0.049   0.070     0.514  100.000   98.639
LGA    D   117_A      D   117_A     0.546     0    0.025   0.136     0.888   97.619   94.048
LGA    I   118_A      I   118_A     0.503     0    0.015   0.139     0.580   95.238   94.048
LGA    T   119_A      T   119_A     0.627     0    0.037   0.085     0.678   90.476   90.476
LGA    P   120_A      P   120_A     0.503     0    0.026   0.048     0.639   90.476   93.197
LGA    E   121_A      E   121_A     0.568     0    0.032   0.895     3.169   90.476   79.683
LGA    E   122_A      E   122_A     0.647     0    0.058   0.227     1.125   90.476   89.471
LGA    Q   123_A      Q   123_A     0.410     0    0.011   0.216     0.653  100.000   98.942
LGA    R   124_A      R   124_A     0.518     0    0.019   0.418     1.784   92.857   90.693
LGA    K   125_A      K   125_A     0.671     0    0.046   1.326     5.875   90.476   70.317
LGA    F   126_A      F   126_A     0.577     0    0.020   0.163     1.036   90.476   92.251
LGA    H   127_A      H   127_A     0.564     0    0.012   1.152     2.333   90.476   84.571
LGA    S   128_A      S   128_A     0.712     0    0.062   0.181     0.939   90.476   92.063
LGA    Q   129_A      Q   129_A     0.780     0    0.016   0.107     1.325   90.476   87.460
LGA    W   130_A      W   130_A     0.766     0    0.045   0.089     0.938   90.476   90.476
LGA    F   131_A      F   131_A     0.732     0    0.039   1.129     4.858   90.476   72.597
LGA    E   132_A      E   132_A     0.597     0    0.122   1.121     4.395   88.214   75.344
LGA    S   133_A      S   133_A     0.705     0    0.076   0.119     0.875   90.476   92.063
LGA    L   134_A      L   134_A     0.928     0    0.167   0.195     1.124   88.214   85.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1073   1073  100.00               132
SUMMARY(RMSD_GDC):     0.572          0.598                  1.102           95.568   91.182

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0    132    0.57    98.864    99.585    19.636

LGA_LOCAL      RMSD:   0.572  Number of atoms:  132  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.572  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   0.572  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.108036 * X  +   0.837785 * Y  +  -0.535205 * Z  + -15.210027
  Y_new =   0.936679 * X  +  -0.266168 * Y  +  -0.227569 * Z  +  10.270010
  Z_new =  -0.333109 * X  +  -0.476729 * Y  +  -0.813491 * Z  +  -1.435371 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.455964  0.339599 -2.611510   [DEG:   83.4206   19.4576 -149.6285 ]
ZXZ: -1.168756  2.520926 -2.531714   [DEG:  -66.9648  144.4384 -145.0565 ]
 
# END of job
