
#######################################################
#                                                     #
#                        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       0.64     0.64
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       0.64     0.64
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       0.64     0.64
  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     15   96  126  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     26  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     76  122  130  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     82  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     82  122  130  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     12   65  116  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     35  122  130  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     29  122  130  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     76  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     83  122  130  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      4  113  130  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     38  122  130  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     34  122  130  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     47  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     76  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     74  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     42  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     57  119  130  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      8  108  130  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     63  119  130  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     84  122  130  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     42  122  130  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     42  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     74  122  130  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     77  122  130  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     84  122  130  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      9  117  130  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      7  113  130  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      8  113  130  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     84  122  130  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     84  122  130  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     32  122  130  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     22  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     84  122  130  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     76  122  130  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     44  122  130  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     44  122  130  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     42  122  130  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     42  122  130  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     42  122  130  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     42  122  130  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     42  122  130  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     42  122  130  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     57  122  130  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     42  122  130  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     31  122  130  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     27  122  130  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     31  122  130  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     23  122  130  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     44  122  130  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     44  122  130  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     44  122  130  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     84    122    130    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132 
GDT PERCENT_AT  63.64  92.42  98.48 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.33   0.54   0.60   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64
GDT RMS_ALL_AT   0.68   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64   0.64

# 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     1.627     3    0.042   0.080     1.976   79.405   48.810
LGA    V     4_A      V     4_A     0.912     0    0.119   0.161     1.578   83.810   82.789
LGA    D     5_A      D     5_A     0.151     0    0.040   0.916     3.904  100.000   84.107
LGA    K     6_A      K     6_A     0.210     0    0.070   0.164     0.872  100.000   97.884
LGA    R     7_A      R     7_A     0.433     0    0.046   1.146     6.248  100.000   69.870
LGA    K     8_A      K     8_A     0.616     0    0.013   0.414     1.550   90.476   87.513
LGA    I     9_A      I     9_A     0.576     0    0.064   0.072     0.713   90.476   90.476
LGA    K    10_A      K    10_A     0.301     0    0.007   0.148     0.535  100.000   98.942
LGA    I    11_A      I    11_A     0.078     0    0.014   0.050     0.323  100.000  100.000
LGA    I    12_A      I    12_A     0.235     0    0.047   0.069     0.692   97.619   96.429
LGA    L    13_A      L    13_A     0.720     0    0.067   1.005     2.623   88.333   83.036
LGA    N    14_A      N    14_A     2.006     0    0.096   0.143     3.642   70.833   60.476
LGA    G    15_A      G    15_A     0.957     0    0.017   0.017     1.294   88.214   88.214
LGA    E    16_A      E    16_A     0.973     0    0.061   0.827     2.564   90.476   79.947
LGA    M    17_A      M    17_A     0.596     0    0.045   0.665     1.926   88.214   84.881
LGA    E    18_A      E    18_A     0.477     0    0.035   0.420     1.106  100.000   94.762
LGA    E    19_A      E    19_A     0.471     0    0.051   0.116     1.042   97.619   92.646
LGA    A    20_A      A    20_A     0.438     0    0.085   0.104     0.721   97.619   98.095
LGA    E    21_A      E    21_A     0.214     0    0.013   0.170     0.616  100.000   98.942
LGA    L    22_A      L    22_A     0.195     0    0.057   0.063     0.288  100.000  100.000
LGA    H    23_A      H    23_A     0.296     0    0.062   0.115     0.528   97.619   99.048
LGA    M    24_A      M    24_A     0.110     0    0.038   0.384     1.222  100.000   96.488
LGA    I    25_A      I    25_A     0.268     0    0.028   0.368     1.002  100.000   97.679
LGA    T    26_A      T    26_A     0.237     0    0.026   0.071     0.540  100.000   98.639
LGA    S    27_A      S    27_A     0.547     0    0.080   0.101     1.477   92.857   89.048
LGA    P    28_A      P    28_A     1.272     0    0.656   0.595     4.026   70.476   79.116
LGA    N    29_A      N    29_A     0.758     0    0.098   0.472     1.579   88.214   84.881
LGA    R    30_A      R    30_A     0.955     0    0.027   1.007     4.274   90.476   73.203
LGA    H    31_A      H    31_A     0.807     0    0.062   1.177     6.874   95.238   61.667
LGA    C    32_A      C    32_A     0.230     0    0.042   0.102     0.496  100.000  100.000
LGA    C    33_A      C    33_A     0.228     0    0.018   0.048     0.388  100.000  100.000
LGA    L    34_A      L    34_A     0.173     0    0.018   0.071     0.253  100.000  100.000
LGA    K    35_A      K    35_A     0.232     0    0.020   0.402     2.013  100.000   93.968
LGA    I    36_A      I    36_A     0.194     0    0.015   0.076     0.463  100.000  100.000
LGA    F    37_A      F    37_A     0.174     0    0.019   0.071     0.357  100.000  100.000
LGA    H    38_A      H    38_A     0.333     0    0.033   0.067     0.728   95.238   94.286
LGA    N    39_A      N    39_A     0.805     0    0.032   1.109     3.503   90.476   81.190
LGA    N    40_A      N    40_A     0.523     0    0.055   0.788     2.043   92.857   86.250
LGA    N    41_A      N    41_A     0.488     0    0.030   1.009     4.811  100.000   76.905
LGA    Q    42_A      Q    42_A     0.362     0    0.046   0.116     0.822   97.619   98.942
LGA    L    43_A      L    43_A     0.288     0    0.060   0.314     1.708   97.619   91.905
LGA    A    44_A      A    44_A     0.408     0    0.032   0.039     0.469  100.000  100.000
LGA    E    45_A      E    45_A     0.365     0    0.028   0.481     2.082  100.000   88.995
LGA    S    46_A      S    46_A     0.475     0    0.034   0.063     0.564  100.000   96.825
LGA    N    47_A      N    47_A     0.094     0    0.011   0.105     0.410  100.000  100.000
LGA    D    48_A      D    48_A     0.283     0    0.060   0.146     0.714   97.619   96.429
LGA    T    49_A      T    49_A     0.727     0    0.108   0.103     1.745   95.238   88.095
LGA    D    50_A      D    50_A     0.299     0    0.041   0.121     0.323  100.000  100.000
LGA    Y    51_A      Y    51_A     0.375     0    0.042   0.084     0.920   97.619   96.032
LGA    F    52_A      F    52_A     0.500     0    0.018   0.055     0.581  100.000   97.403
LGA    S    53_A      S    53_A     0.464     0    0.040   0.046     0.516   97.619   98.413
LGA    C    54_A      C    54_A     0.523     0    0.021   0.081     0.573   95.238   93.651
LGA    F    55_A      F    55_A     0.406     0    0.015   0.255     1.166  100.000   96.580
LGA    A    56_A      A    56_A     0.414     0    0.025   0.035     0.547  100.000   98.095
LGA    D    57_A      D    57_A     0.443     0    0.037   0.452     1.305  100.000   92.976
LGA    L    58_A      L    58_A     0.396     0    0.012   1.284     3.328  100.000   88.036
LGA    R    59_A      R    59_A     0.394     0    0.015   0.670     2.457  100.000   86.840
LGA    N    60_A      N    60_A     0.563     0    0.015   0.875     3.049   92.857   81.190
LGA    Q    61_A      Q    61_A     0.405     0    0.118   0.164     0.611  100.000   98.942
LGA    L    62_A      L    62_A     0.368     0    0.101   0.088     0.511   97.619   98.810
LGA    K    63_A      K    63_A     0.359     0    0.028   0.621     1.984  100.000   92.804
LGA    N    64_A      N    64_A     0.408     0    0.028   0.123     0.713  100.000   95.238
LGA    I    65_A      I    65_A     0.531     0    0.039   0.052     0.566   92.857   92.857
LGA    I    66_A      I    66_A     0.429     0    0.022   0.041     0.628  100.000   96.429
LGA    F    67_A      F    67_A     0.178     0    0.015   0.046     0.503  100.000   99.134
LGA    L    68_A      L    68_A     0.344     0    0.036   0.075     0.524  100.000   98.810
LGA    C    69_A      C    69_A     0.589     0    0.055   0.777     2.399   95.238   89.365
LGA    K    70_A      K    70_A     0.504     0    0.037   0.064     0.862   95.238   93.651
LGA    G    71_A      G    71_A     0.367     0    0.047   0.047     0.470  100.000  100.000
LGA    A    72_A      A    72_A     0.434     0    0.044   0.054     0.434  100.000  100.000
LGA    K    73_A      K    73_A     0.419     0    0.017   0.101     0.670  100.000   97.884
LGA    I    74_A      I    74_A     0.302     0    0.028   0.238     0.764  100.000   97.619
LGA    N    75_A      N    75_A     0.255     0    0.044   0.131     0.968   97.619   95.238
LGA    V    76_A      V    76_A     0.352     0    0.076   0.097     0.701   97.619   95.918
LGA    Y    77_A      Y    77_A     0.455     0    0.053   0.196     0.655  100.000   99.206
LGA    P    78_A      P    78_A     0.475     0    0.043   0.280     1.176   92.976   93.265
LGA    S    79_A      S    79_A     1.174     0    0.040   0.047     1.294   85.952   84.444
LGA    A    80_A      A    80_A     1.432     0    0.033   0.032     1.762   81.429   79.714
LGA    M    81_A      M    81_A     1.127     0    0.021   0.794     1.933   85.952   82.619
LGA    S    82_A      S    82_A     0.714     0    0.037   0.047     0.871   92.857   92.063
LGA    R    83_A      R    83_A     0.795     0    0.029   0.698     1.585   90.476   84.762
LGA    D    84_A      D    84_A     0.775     0    0.081   0.478     1.947   90.476   84.881
LGA    M    85_A      M    85_A     0.422     0    0.024   0.792     2.946   97.619   88.750
LGA    S    86_A      S    86_A     0.360     0    0.025   0.045     0.448  100.000  100.000
LGA    D    87_A      D    87_A     0.295     0    0.019   0.142     0.897  100.000   96.429
LGA    G    88_A      G    88_A     0.165     0    0.016   0.016     0.235  100.000  100.000
LGA    I    89_A      I    89_A     0.320     0    0.015   0.682     2.175  100.000   94.405
LGA    V    90_A      V    90_A     0.377     0    0.051   0.077     0.432  100.000  100.000
LGA    A    91_A      A    91_A     0.372     0    0.041   0.055     0.425  100.000  100.000
LGA    Y    92_A      Y    92_A     0.313     0    0.032   0.167     1.183  100.000   95.278
LGA    E    93_A      E    93_A     0.174     0    0.059   0.881     3.224   97.619   85.238
LGA    T    94_A      T    94_A     0.593     0    0.025   0.065     0.916   95.238   93.197
LGA    T    95_A      T    95_A     0.616     0    0.023   0.071     1.078   92.857   89.252
LGA    L    96_A      L    96_A     0.366     0    0.073   1.420     5.139   92.976   72.440
LGA    G    97_A      G    97_A     1.076     0    0.041   0.041     1.520   81.548   81.548
LGA    Q    98_A      Q    98_A     1.315     0    0.015   0.170     1.842   83.690   79.577
LGA    P    99_A      P    99_A     1.151     0    0.024   0.030     1.798   85.952   81.565
LGA    G   100_A      G   100_A     0.412     0    0.148   0.148     0.604   95.238   95.238
LGA    L   101_A      L   101_A     0.549     0    0.024   0.047     0.693   90.476   91.667
LGA    P   102_A      P   102_A     0.975     0    0.018   0.030     1.396   90.476   86.599
LGA    E   103_A      E   103_A     0.900     0    0.042   0.640     1.752   90.476   86.508
LGA    N   104_A      N   104_A     0.366     0    0.056   1.080     2.272   97.619   90.000
LGA    Q   105_A      Q   105_A     0.206     0    0.047   0.131     0.962  100.000   96.825
LGA    V   106_A      V   106_A     0.317     0    0.036   0.043     0.564   97.619   97.279
LGA    H   107_A      H   107_A     0.393     0    0.029   1.047     5.139  100.000   71.048
LGA    I   108_A      I   108_A     0.480     0    0.019   0.050     0.483  100.000  100.000
LGA    F   109_A      F   109_A     0.417     0    0.030   0.101     0.535  100.000   99.134
LGA    D   110_A      D   110_A     0.499     0    0.049   0.119     0.978   97.619   94.048
LGA    F   111_A      F   111_A     0.328     0    0.027   0.105     0.561   97.619   99.134
LGA    E   112_A      E   112_A     0.457     0    0.026   0.109     0.753  100.000   96.825
LGA    D   113_A      D   113_A     0.528     0    0.051   0.093     0.764   90.476   90.476
LGA    K   114_A      K   114_A     0.500     0    0.062   0.847     2.975   92.857   83.915
LGA    Y   115_A      Y   115_A     0.655     0    0.037   0.218     2.380   95.238   82.540
LGA    V   116_A      V   116_A     0.153     0    0.047   0.067     0.569  100.000   98.639
LGA    D   117_A      D   117_A     0.678     0    0.049   0.151     1.144   90.476   87.083
LGA    I   118_A      I   118_A     0.592     0    0.015   0.080     0.620   90.476   92.857
LGA    T   119_A      T   119_A     0.826     0    0.035   0.072     0.907   90.476   90.476
LGA    P   120_A      P   120_A     0.791     0    0.026   0.053     0.915   90.476   90.476
LGA    E   121_A      E   121_A     0.883     0    0.015   0.923     3.018   90.476   80.317
LGA    E   122_A      E   122_A     0.866     0    0.058   0.317     1.290   90.476   86.455
LGA    Q   123_A      Q   123_A     0.852     0    0.022   0.559     1.176   90.476   88.466
LGA    R   124_A      R   124_A     0.823     0    0.045   0.890     4.890   90.476   68.442
LGA    K   125_A      K   125_A     0.868     0    0.033   1.320     5.798   90.476   71.164
LGA    F   126_A      F   126_A     0.692     0    0.021   0.150     0.949   90.476   92.208
LGA    H   127_A      H   127_A     0.757     0    0.018   1.155     2.418   90.476   81.810
LGA    S   128_A      S   128_A     0.938     0    0.063   0.091     1.087   88.214   88.968
LGA    Q   129_A      Q   129_A     0.818     0    0.015   0.173     1.435   90.476   87.460
LGA    W   130_A      W   130_A     0.762     0    0.041   0.083     0.839   90.476   90.476
LGA    F   131_A      F   131_A     1.017     0    0.030   1.153     4.644   83.690   69.307
LGA    E   132_A      E   132_A     0.954     0    0.115   1.146     4.582   88.214   75.503
LGA    S   133_A      S   133_A     0.871     0    0.065   0.106     0.913   90.476   90.476
LGA    L   134_A      L   134_A     0.996     0    0.144   0.182     1.322   85.952   84.821

# 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):     0.640          0.657                  1.163           94.850   90.292

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0    132    0.64    98.106    99.289    17.826

LGA_LOCAL      RMSD:   0.640  Number of atoms:  132  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.640  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   0.640  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.451638 * X  +  -0.726354 * Y  +  -0.518105 * Z  + -14.315584
  Y_new =   0.239654 * X  +   0.658126 * Y  +  -0.713748 * Z  +   9.280553
  Z_new =   0.859412 * X  +   0.198190 * Y  +   0.471308 * Z  +  -0.109746 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.487852 -1.034119  0.398061   [DEG:   27.9519  -59.2507   22.8072 ]
ZXZ: -0.627894  1.080023  1.344148   [DEG:  -35.9757   61.8808   77.0140 ]
 
# END of job
