
#######################################################
#                                                     #
#                        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       0.65     0.65
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       0.65     0.65
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       0.65     0.65
  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      3   36  115  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     25  119  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     79  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   44  113  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     54  119  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     39  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     58  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     75  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     75  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     71  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      3  115  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     39  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     31  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     25  116  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     71  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     37  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     80  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     81  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     81  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     81  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     54  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     54  122  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     24  116  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     75  122  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     54  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     34  109  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     38  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     81  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     62  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     81  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     59  122  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      8  115  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  116  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     81  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     81  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     81  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     31  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     81  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     81  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     81  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     81  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     81  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     81  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     79  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     81  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     81  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     81  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     81  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     81  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     81  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     41  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     54  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     57  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     58  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     57  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     54  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     75  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     57  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     54  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     54  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     38  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     38  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     38  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     54  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     57  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     57  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     31  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     81    122    130    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132 
GDT PERCENT_AT  61.36  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   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65
GDT RMS_ALL_AT   0.69   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65   0.65

# Checking swapping
#   possible swapping detected:  D     5_A      D     5_A
#   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:  E   103_A      E   103_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
#   possible swapping detected:  E   132_A      E   132_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     3_A      D     3_A     1.984     3    0.017   0.046     2.456   77.143   46.667
LGA    V     4_A      V     4_A     1.090     0    0.109   0.153     1.784   79.286   80.204
LGA    D     5_A      D     5_A     0.176     0    0.043   0.885     3.071  100.000   85.000
LGA    K     6_A      K     6_A     0.304     0    0.089   0.187     0.600  100.000   98.942
LGA    R     7_A      R     7_A     0.271     0    0.040   0.609     1.983  100.000   88.355
LGA    K     8_A      K     8_A     0.411     0    0.016   0.407     1.596   97.619   92.751
LGA    I     9_A      I     9_A     0.416     0    0.056   0.066     0.493  100.000  100.000
LGA    K    10_A      K    10_A     0.253     0    0.009   0.933     4.411  100.000   86.085
LGA    I    11_A      I    11_A     0.139     0    0.024   0.044     0.386  100.000  100.000
LGA    I    12_A      I    12_A     0.248     0    0.044   0.064     0.756   95.238   95.238
LGA    L    13_A      L    13_A     0.766     0    0.063   0.984     2.703   85.952   81.845
LGA    N    14_A      N    14_A     2.126     0    0.092   0.141     3.830   70.833   60.476
LGA    G    15_A      G    15_A     1.055     0    0.014   0.014     1.393   85.952   85.952
LGA    E    16_A      E    16_A     1.035     0    0.066   0.835     2.625   85.952   76.984
LGA    M    17_A      M    17_A     0.618     0    0.062   0.678     1.844   86.071   82.679
LGA    E    18_A      E    18_A     0.495     0    0.048   0.454     2.120  100.000   90.847
LGA    E    19_A      E    19_A     0.423     0    0.060   0.213     1.043   97.619   93.704
LGA    A    20_A      A    20_A     0.362     0    0.070   0.084     0.527   97.619   98.095
LGA    E    21_A      E    21_A     0.218     0    0.009   0.239     0.784  100.000   98.942
LGA    L    22_A      L    22_A     0.149     0    0.043   0.048     0.240  100.000  100.000
LGA    H    23_A      H    23_A     0.229     0    0.063   0.113     0.412  100.000  100.000
LGA    M    24_A      M    24_A     0.167     0    0.046   0.957     3.319  100.000   92.560
LGA    I    25_A      I    25_A     0.623     0    0.019   0.415     0.996   90.476   90.476
LGA    T    26_A      T    26_A     0.660     0    0.022   0.081     1.006   90.476   89.184
LGA    S    27_A      S    27_A     0.807     0    0.072   0.760     4.135   90.476   78.651
LGA    P    28_A      P    28_A     1.462     0    0.666   0.590     4.206   70.476   75.238
LGA    N    29_A      N    29_A     0.778     0    0.100   1.018     2.834   88.214   84.048
LGA    R    30_A      R    30_A     0.943     0    0.017   0.604     3.140   88.214   72.900
LGA    H    31_A      H    31_A     1.109     0    0.069   1.167     7.131   88.214   55.952
LGA    C    32_A      C    32_A     0.390     0    0.050   0.114     0.669   97.619   98.413
LGA    C    33_A      C    33_A     0.329     0    0.020   0.053     0.457  100.000  100.000
LGA    L    34_A      L    34_A     0.151     0    0.020   0.060     0.183  100.000  100.000
LGA    K    35_A      K    35_A     0.135     0    0.022   0.383     1.899  100.000   94.868
LGA    I    36_A      I    36_A     0.120     0    0.015   0.071     0.357  100.000  100.000
LGA    F    37_A      F    37_A     0.134     0    0.023   0.083     0.475  100.000  100.000
LGA    H    38_A      H    38_A     0.327     0    0.022   0.096     0.654   95.238   95.238
LGA    N    39_A      N    39_A     0.883     0    0.035   1.109     3.634   90.476   82.321
LGA    N    40_A      N    40_A     0.576     0    0.058   1.062     2.472   92.857   86.250
LGA    N    41_A      N    41_A     0.486     0    0.037   0.996     4.771  100.000   76.905
LGA    Q    42_A      Q    42_A     0.347     0    0.042   0.139     0.779   97.619   98.942
LGA    L    43_A      L    43_A     0.312     0    0.055   0.315     1.753   97.619   91.905
LGA    A    44_A      A    44_A     0.366     0    0.029   0.034     0.411  100.000  100.000
LGA    E    45_A      E    45_A     0.249     0    0.032   0.485     1.954  100.000   90.847
LGA    S    46_A      S    46_A     0.396     0    0.044   0.118     0.775  100.000   96.825
LGA    N    47_A      N    47_A     0.171     0    0.015   0.078     0.320  100.000  100.000
LGA    D    48_A      D    48_A     0.423     0    0.059   0.084     0.645   95.238   92.857
LGA    T    49_A      T    49_A     0.913     0    0.132   0.138     1.811   92.857   86.735
LGA    D    50_A      D    50_A     0.432     0    0.047   0.097     0.523   97.619   98.810
LGA    Y    51_A      Y    51_A     0.327     0    0.036   0.127     1.222   97.619   95.278
LGA    F    52_A      F    52_A     0.535     0    0.025   0.046     0.605   92.857   91.342
LGA    S    53_A      S    53_A     0.515     0    0.043   0.053     0.578   92.857   95.238
LGA    C    54_A      C    54_A     0.574     0    0.019   0.080     0.646   92.857   92.063
LGA    F    55_A      F    55_A     0.393     0    0.018   0.289     1.441  100.000   94.935
LGA    A    56_A      A    56_A     0.417     0    0.023   0.034     0.510  100.000   98.095
LGA    D    57_A      D    57_A     0.466     0    0.029   0.359     1.036  100.000   94.107
LGA    L    58_A      L    58_A     0.396     0    0.013   1.289     3.266  100.000   88.036
LGA    R    59_A      R    59_A     0.454     0    0.016   0.781     3.051   97.619   83.203
LGA    N    60_A      N    60_A     0.614     0    0.024   0.880     2.913   90.476   81.905
LGA    Q    61_A      Q    61_A     0.444     0    0.111   0.206     0.605   97.619   97.884
LGA    L    62_A      L    62_A     0.358     0    0.092   0.085     0.515   97.619   98.810
LGA    K    63_A      K    63_A     0.279     0    0.027   0.617     1.967  100.000   94.868
LGA    N    64_A      N    64_A     0.463     0    0.014   0.114     0.711   95.238   92.857
LGA    I    65_A      I    65_A     0.623     0    0.048   0.071     0.676   90.476   90.476
LGA    I    66_A      I    66_A     0.485     0    0.035   0.044     0.687   97.619   95.238
LGA    F    67_A      F    67_A     0.238     0    0.009   0.055     0.778  100.000   97.403
LGA    L    68_A      L    68_A     0.285     0    0.049   0.080     0.543  100.000   98.810
LGA    C    69_A      C    69_A     0.560     0    0.055   0.769     2.482   92.857   87.778
LGA    K    70_A      K    70_A     0.538     0    0.038   0.070     0.950   92.857   91.534
LGA    G    71_A      G    71_A     0.421     0    0.039   0.039     0.552   97.619   97.619
LGA    A    72_A      A    72_A     0.527     0    0.087   0.099     0.572   97.619   96.190
LGA    K    73_A      K    73_A     0.462     0    0.028   0.106     0.748   97.619   95.767
LGA    I    74_A      I    74_A     0.355     0    0.027   0.238     1.046  100.000   96.488
LGA    N    75_A      N    75_A     0.272     0    0.049   0.122     1.037   97.619   94.107
LGA    V    76_A      V    76_A     0.333     0    0.050   0.078     0.591   97.619   95.918
LGA    Y    77_A      Y    77_A     0.427     0    0.042   0.197     0.595  100.000   99.206
LGA    P    78_A      P    78_A     0.579     0    0.070   0.299     1.187   90.595   90.544
LGA    S    79_A      S    79_A     0.957     0    0.049   0.067     0.961   90.476   90.476
LGA    A    80_A      A    80_A     1.142     0    0.027   0.028     1.330   83.690   83.238
LGA    M    81_A      M    81_A     0.875     0    0.009   0.819     2.233   90.476   86.131
LGA    S    82_A      S    82_A     1.011     0    0.025   0.651     1.334   88.214   85.952
LGA    R    83_A      R    83_A     1.182     0    0.030   0.671     1.422   81.429   83.074
LGA    D    84_A      D    84_A     0.752     0    0.085   0.315     1.412   92.857   89.405
LGA    M    85_A      M    85_A     0.250     0    0.023   1.088     3.186   97.619   88.155
LGA    S    86_A      S    86_A     0.270     0    0.039   0.060     0.446  100.000  100.000
LGA    D    87_A      D    87_A     0.205     0    0.019   0.168     0.605  100.000   97.619
LGA    G    88_A      G    88_A     0.247     0    0.025   0.025     0.322  100.000  100.000
LGA    I    89_A      I    89_A     0.306     0    0.016   0.682     2.324  100.000   95.595
LGA    V    90_A      V    90_A     0.395     0    0.015   0.061     0.552   97.619   98.639
LGA    A    91_A      A    91_A     0.396     0    0.037   0.049     0.483  100.000  100.000
LGA    Y    92_A      Y    92_A     0.270     0    0.036   0.146     0.981  100.000   97.619
LGA    E    93_A      E    93_A     0.221     0    0.060   0.888     3.356   95.238   84.180
LGA    T    94_A      T    94_A     0.639     0    0.026   0.063     0.996   95.238   93.197
LGA    T    95_A      T    95_A     0.554     0    0.027   0.071     1.106   95.238   90.612
LGA    L    96_A      L    96_A     0.448     0    0.076   1.402     5.416   97.619   75.655
LGA    G    97_A      G    97_A     0.800     0    0.044   0.044     1.249   88.333   88.333
LGA    Q    98_A      Q    98_A     1.201     0    0.013   0.149     1.708   83.690   81.481
LGA    P    99_A      P    99_A     1.130     0    0.022   0.029     1.832   85.952   80.340
LGA    G   100_A      G   100_A     0.263     0    0.166   0.166     0.460  100.000  100.000
LGA    L   101_A      L   101_A     0.322     0    0.036   0.068     0.433  100.000  100.000
LGA    P   102_A      P   102_A     0.704     0    0.022   0.035     1.051   90.476   89.184
LGA    E   103_A      E   103_A     0.623     0    0.044   0.696     2.036   92.857   87.672
LGA    N   104_A      N   104_A     0.199     0    0.056   1.084     2.458  100.000   92.202
LGA    Q   105_A      Q   105_A     0.158     0    0.065   0.101     0.568  100.000   97.884
LGA    V   106_A      V   106_A     0.314     0    0.042   0.046     0.584   97.619   97.279
LGA    H   107_A      H   107_A     0.334     0    0.021   0.068     0.444  100.000  100.000
LGA    I   108_A      I   108_A     0.423     0    0.041   0.063     0.553   97.619   98.810
LGA    F   109_A      F   109_A     0.454     0    0.064   0.096     0.468  100.000  100.000
LGA    D   110_A      D   110_A     0.638     0    0.044   0.123     1.219   90.476   89.345
LGA    F   111_A      F   111_A     0.398     0    0.023   0.055     0.597   97.619   99.134
LGA    E   112_A      E   112_A     0.482     0    0.021   0.089     0.785  100.000   96.825
LGA    D   113_A      D   113_A     0.603     0    0.060   0.090     0.867   90.476   90.476
LGA    K   114_A      K   114_A     0.592     0    0.056   0.853     2.962   90.476   82.857
LGA    Y   115_A      Y   115_A     0.672     0    0.040   0.215     2.216   95.238   82.540
LGA    V   116_A      V   116_A     0.155     0    0.072   0.083     0.604   97.619   97.279
LGA    D   117_A      D   117_A     0.720     0    0.056   0.170     1.181   90.476   87.083
LGA    I   118_A      I   118_A     0.666     0    0.017   1.616     3.962   90.476   77.321
LGA    T   119_A      T   119_A     0.773     0    0.042   0.074     0.840   90.476   90.476
LGA    P   120_A      P   120_A     0.673     0    0.033   0.053     0.816   90.476   90.476
LGA    E   121_A      E   121_A     0.790     0    0.045   0.921     3.234   90.476   80.317
LGA    E   122_A      E   122_A     0.807     0    0.052   0.312     1.346   90.476   86.455
LGA    Q   123_A      Q   123_A     0.462     0    0.010   0.180     0.592   92.857   95.767
LGA    R   124_A      R   124_A     0.672     0    0.031   0.761     3.966   90.476   73.203
LGA    K   125_A      K   125_A     0.856     0    0.027   0.857     3.433   90.476   82.963
LGA    F   126_A      F   126_A     0.655     0    0.017   0.159     1.007   90.476   91.385
LGA    H   127_A      H   127_A     0.697     0    0.024   1.156     2.363   90.476   82.667
LGA    S   128_A      S   128_A     0.957     0    0.044   0.114     1.104   88.214   87.460
LGA    Q   129_A      Q   129_A     0.878     0    0.014   0.149     1.494   90.476   87.460
LGA    W   130_A      W   130_A     0.805     0    0.039   0.056     0.855   90.476   90.476
LGA    F   131_A      F   131_A     0.893     0    0.039   1.154     5.093   90.476   70.736
LGA    E   132_A      E   132_A     0.800     0    0.144   1.050     4.079   88.214   76.190
LGA    S   133_A      S   133_A     0.782     0    0.069   0.110     0.844   90.476   92.063
LGA    L   134_A      L   134_A     0.950     0    0.155   0.184     1.219   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):     0.648          0.666                  1.123           94.366   90.280

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0    132    0.65    98.106    99.289    17.640

LGA_LOCAL      RMSD:   0.648  Number of atoms:  132  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.648  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   0.648  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.424785 * X  +  -0.832261 * Y  +   0.356230 * Z  + -13.248853
  Y_new =   0.055430 * X  +  -0.416669 * Y  +  -0.907367 * Z  +   9.602924
  Z_new =   0.903595 * X  +  -0.365690 * Y  +   0.223127 * Z  +  -0.580430 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.011836 -1.128090 -1.022945   [DEG:  172.5655  -64.6348  -58.6104 ]
ZXZ:  0.374108  1.345775  1.955353   [DEG:   21.4348   77.1072  112.0335 ]
 
# END of job
