
#######################################################
#                                                     #
#                        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   35  114  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     16  117  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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     81  121  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   47  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     19  115  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  121  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     71  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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     81  121  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     81  121  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  121  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  112  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     35  121  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     36  119  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     39  120  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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     36  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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     81  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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     66  121  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     52  121  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  121  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     52  121  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     39  121  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     40  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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  121  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     57  121  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     79  121  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     78  121  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     57  121  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      5  114  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  121  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  121  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     78  121  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     23  121  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     78  121  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  121  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  121  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  121  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  121  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     75  121  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     71  121  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  121  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  121  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     80  121  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  121  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  121  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  121  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     40  121  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     24  121  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     65  121  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     65  121  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     65  121  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     65  121  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     76  121  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     65  121  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  121  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     65  121  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     65  121  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     54  121  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     36  121  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     41  121  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  121  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     54  121  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     65  121  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     36  121  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    121    130    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132 
GDT PERCENT_AT  61.36  91.67  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   0.71   0.66   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    93_A      E    93_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     2.072     3    0.031   0.030     2.550   75.357   44.821
LGA    V     4_A      V     4_A     1.084     0    0.023   0.095     1.570   81.548   81.497
LGA    D     5_A      D     5_A     0.286     0    0.106   0.914     3.067  100.000   85.000
LGA    K     6_A      K     6_A     0.310     0    0.021   0.074     0.552  100.000   98.942
LGA    R     7_A      R     7_A     0.331     0    0.070   0.593     1.954   97.619   85.931
LGA    K     8_A      K     8_A     0.448     0    0.014   0.332     1.364   97.619   92.698
LGA    I     9_A      I     9_A     0.385     0    0.044   0.139     0.630   97.619   97.619
LGA    K    10_A      K    10_A     0.238     0    0.020   0.812     3.927  100.000   87.672
LGA    I    11_A      I    11_A     0.175     0    0.012   0.024     0.458  100.000  100.000
LGA    I    12_A      I    12_A     0.284     0    0.036   0.105     0.741   95.238   95.238
LGA    L    13_A      L    13_A     0.771     0    0.038   0.961     2.689   85.952   81.845
LGA    N    14_A      N    14_A     2.111     0    0.012   0.102     3.763   68.810   59.464
LGA    G    15_A      G    15_A     1.116     0    0.048   0.048     1.452   85.952   85.952
LGA    E    16_A      E    16_A     1.023     0    0.046   0.837     2.708   88.214   77.989
LGA    M    17_A      M    17_A     0.586     0    0.011   0.664     1.867   88.214   83.750
LGA    E    18_A      E    18_A     0.549     0    0.054   0.356     2.003   97.619   89.788
LGA    E    19_A      E    19_A     0.455     0    0.014   0.110     0.885  100.000   94.709
LGA    A    20_A      A    20_A     0.346     0    0.027   0.030     0.401  100.000  100.000
LGA    E    21_A      E    21_A     0.178     0    0.040   0.199     0.708  100.000   98.942
LGA    L    22_A      L    22_A     0.168     0    0.034   0.028     0.290  100.000  100.000
LGA    H    23_A      H    23_A     0.185     0    0.087   0.096     0.431  100.000  100.000
LGA    M    24_A      M    24_A     0.131     0    0.035   0.981     3.557  100.000   92.917
LGA    I    25_A      I    25_A     0.588     0    0.050   0.306     0.975   92.857   91.667
LGA    T    26_A      T    26_A     0.605     0    0.024   0.037     0.751   90.476   90.476
LGA    S    27_A      S    27_A     0.799     0    0.035   0.749     4.133   90.476   80.079
LGA    P    28_A      P    28_A     1.494     0    0.647   0.573     4.134   70.476   76.531
LGA    N    29_A      N    29_A     0.785     0    0.097   1.067     2.862   88.214   82.976
LGA    R    30_A      R    30_A     1.022     0    0.052   0.642     3.596   85.952   72.900
LGA    H    31_A      H    31_A     1.041     0    0.097   1.098     6.994   88.214   56.952
LGA    C    32_A      C    32_A     0.390     0    0.073   0.108     0.661   97.619   98.413
LGA    C    33_A      C    33_A     0.366     0    0.031   0.040     0.436  100.000  100.000
LGA    L    34_A      L    34_A     0.170     0    0.028   0.049     0.207  100.000  100.000
LGA    K    35_A      K    35_A     0.108     0    0.039   0.104     0.843  100.000   96.825
LGA    I    36_A      I    36_A     0.087     0    0.031   0.073     0.475  100.000  100.000
LGA    F    37_A      F    37_A     0.151     0    0.012   0.079     0.545  100.000   98.268
LGA    H    38_A      H    38_A     0.283     0    0.046   0.067     0.644   95.238   95.238
LGA    N    39_A      N    39_A     0.939     0    0.039   1.115     3.477   90.476   82.024
LGA    N    40_A      N    40_A     0.592     0    0.017   1.037     2.500   92.857   86.250
LGA    N    41_A      N    41_A     0.555     0    0.038   0.970     4.637   95.238   74.524
LGA    Q    42_A      Q    42_A     0.395     0    0.027   0.107     0.668   97.619   97.884
LGA    L    43_A      L    43_A     0.362     0    0.048   0.299     1.753   97.619   91.905
LGA    A    44_A      A    44_A     0.375     0    0.031   0.043     0.524  100.000   98.095
LGA    E    45_A      E    45_A     0.205     0    0.033   0.508     2.057  100.000   91.005
LGA    S    46_A      S    46_A     0.384     0    0.027   0.057     0.601  100.000   96.825
LGA    N    47_A      N    47_A     0.259     0    0.029   0.063     0.527  100.000   98.810
LGA    D    48_A      D    48_A     0.415     0    0.048   0.101     0.748   95.238   92.857
LGA    T    49_A      T    49_A     0.918     0    0.108   0.102     1.797   90.476   85.374
LGA    D    50_A      D    50_A     0.382     0    0.040   0.141     0.510   97.619   98.810
LGA    Y    51_A      Y    51_A     0.304     0    0.049   0.136     1.259   97.619   94.484
LGA    F    52_A      F    52_A     0.469     0    0.014   0.056     0.536   97.619   94.805
LGA    S    53_A      S    53_A     0.514     0    0.020   0.036     0.568   90.476   90.476
LGA    C    54_A      C    54_A     0.507     0    0.008   0.055     0.676   95.238   93.651
LGA    F    55_A      F    55_A     0.402     0    0.015   0.226     1.403   97.619   92.338
LGA    A    56_A      A    56_A     0.433     0    0.016   0.017     0.568  100.000   98.095
LGA    D    57_A      D    57_A     0.448     0    0.015   0.397     1.138  100.000   94.107
LGA    L    58_A      L    58_A     0.372     0    0.008   1.294     3.254  100.000   88.036
LGA    R    59_A      R    59_A     0.362     0    0.008   0.905     3.355  100.000   82.597
LGA    N    60_A      N    60_A     0.538     0    0.026   0.868     2.844   97.619   85.476
LGA    Q    61_A      Q    61_A     0.406     0    0.073   0.210     0.646  100.000   98.942
LGA    L    62_A      L    62_A     0.344     0    0.047   0.072     0.459  100.000  100.000
LGA    K    63_A      K    63_A     0.280     0    0.024   0.624     2.080  100.000   95.026
LGA    N    64_A      N    64_A     0.431     0    0.056   0.126     0.725  100.000   96.429
LGA    I    65_A      I    65_A     0.640     0    0.011   0.028     0.667   90.476   90.476
LGA    I    66_A      I    66_A     0.593     0    0.062   0.061     0.767   95.238   92.857
LGA    F    67_A      F    67_A     0.276     0    0.026   0.083     0.825   95.238   94.805
LGA    L    68_A      L    68_A     0.304     0    0.064   0.101     0.485  100.000  100.000
LGA    C    69_A      C    69_A     0.542     0    0.074   0.752     2.482   95.238   89.365
LGA    K    70_A      K    70_A     0.498     0    0.010   0.066     1.048  100.000   93.704
LGA    G    71_A      G    71_A     0.445     0    0.063   0.063     0.596   95.238   95.238
LGA    A    72_A      A    72_A     0.498     0    0.031   0.035     0.505   97.619   98.095
LGA    K    73_A      K    73_A     0.459     0    0.014   0.117     0.759   97.619   95.767
LGA    I    74_A      I    74_A     0.331     0    0.034   0.213     0.890  100.000   97.619
LGA    N    75_A      N    75_A     0.235     0    0.110   0.226     1.261   97.619   95.298
LGA    V    76_A      V    76_A     0.311     0    0.042   0.088     0.604   97.619   95.918
LGA    Y    77_A      Y    77_A     0.444     0    0.045   0.197     0.617  100.000   99.206
LGA    P    78_A      P    78_A     0.614     0    0.018   0.249     0.912   90.476   90.476
LGA    S    79_A      S    79_A     1.013     0    0.024   0.021     1.036   88.214   87.460
LGA    A    80_A      A    80_A     1.105     0    0.032   0.032     1.260   85.952   85.048
LGA    M    81_A      M    81_A     0.922     0    0.016   0.810     2.161   88.214   85.000
LGA    S    82_A      S    82_A     1.005     0    0.019   0.678     1.313   88.214   85.952
LGA    R    83_A      R    83_A     1.107     0    0.061   0.668     1.407   81.429   83.939
LGA    D    84_A      D    84_A     0.622     0    0.045   0.377     1.414   92.857   90.536
LGA    M    85_A      M    85_A     0.252     0    0.045   1.049     3.113  100.000   89.345
LGA    S    86_A      S    86_A     0.259     0    0.047   0.066     0.435  100.000  100.000
LGA    D    87_A      D    87_A     0.211     0    0.022   0.114     0.795  100.000   98.810
LGA    G    88_A      G    88_A     0.239     0    0.072   0.072     0.455  100.000  100.000
LGA    I    89_A      I    89_A     0.354     0    0.027   0.658     2.115  100.000   95.595
LGA    V    90_A      V    90_A     0.415     0    0.024   0.092     0.558   97.619   97.279
LGA    A    91_A      A    91_A     0.356     0    0.031   0.031     0.427  100.000  100.000
LGA    Y    92_A      Y    92_A     0.261     0    0.025   0.128     1.105  100.000   96.071
LGA    E    93_A      E    93_A     0.136     0    0.075   0.778     2.690   97.619   85.132
LGA    T    94_A      T    94_A     0.687     0    0.030   0.068     1.143   95.238   91.905
LGA    T    95_A      T    95_A     0.531     0    0.010   0.050     1.058   92.857   90.544
LGA    L    96_A      L    96_A     0.522     0    0.057   1.403     5.376   95.238   74.464
LGA    G    97_A      G    97_A     0.848     0    0.048   0.048     1.290   88.333   88.333
LGA    Q    98_A      Q    98_A     1.148     0    0.025   0.138     1.651   85.952   82.487
LGA    P    99_A      P    99_A     1.150     0    0.019   0.038     1.865   85.952   80.340
LGA    G   100_A      G   100_A     0.266     0    0.106   0.106     0.509   97.619   97.619
LGA    L   101_A      L   101_A     0.279     0    0.018   0.050     0.346  100.000  100.000
LGA    P   102_A      P   102_A     0.770     0    0.030   0.049     1.020   90.476   89.184
LGA    E   103_A      E   103_A     0.678     0    0.020   0.723     2.114   90.476   84.656
LGA    N   104_A      N   104_A     0.255     0    0.043   1.118     2.491  100.000   92.202
LGA    Q   105_A      Q   105_A     0.109     0    0.025   0.089     0.537  100.000   97.884
LGA    V   106_A      V   106_A     0.279     0    0.009   0.025     0.467  100.000  100.000
LGA    H   107_A      H   107_A     0.435     0    0.036   0.091     0.570  100.000   98.095
LGA    I   108_A      I   108_A     0.543     0    0.037   0.078     0.617   92.857   96.429
LGA    F   109_A      F   109_A     0.636     0    0.036   0.138     0.683   90.476   93.074
LGA    D   110_A      D   110_A     0.714     0    0.049   0.087     1.182   90.476   88.214
LGA    F   111_A      F   111_A     0.401     0    0.019   0.058     0.561   97.619   99.134
LGA    E   112_A      E   112_A     0.452     0    0.034   0.077     0.909  100.000   96.825
LGA    D   113_A      D   113_A     0.602     0    0.026   0.047     0.813   90.476   90.476
LGA    K   114_A      K   114_A     0.545     0    0.024   0.910     3.307   90.476   82.063
LGA    Y   115_A      Y   115_A     0.693     0    0.066   0.208     2.247   95.238   83.254
LGA    V   116_A      V   116_A     0.075     0    0.040   0.064     0.777   97.619   95.918
LGA    D   117_A      D   117_A     0.770     0    0.031   0.191     1.298   90.476   87.083
LGA    I   118_A      I   118_A     0.781     0    0.049   1.582     4.004   90.476   76.548
LGA    T   119_A      T   119_A     0.715     0    0.013   0.025     0.728   90.476   90.476
LGA    P   120_A      P   120_A     0.642     0    0.024   0.051     0.727   90.476   90.476
LGA    E   121_A      E   121_A     0.776     0    0.016   0.938     3.298   90.476   80.317
LGA    E   122_A      E   122_A     0.738     0    0.027   0.366     1.452   90.476   89.471
LGA    Q   123_A      Q   123_A     0.472     0    0.006   0.164     0.778   92.857   93.651
LGA    R   124_A      R   124_A     0.663     0    0.024   0.764     4.059   90.476   71.991
LGA    K   125_A      K   125_A     0.876     0    0.005   0.851     3.359   90.476   82.963
LGA    F   126_A      F   126_A     0.697     0    0.027   0.146     0.961   90.476   92.208
LGA    H   127_A      H   127_A     0.668     0    0.029   1.143     2.395   90.476   83.524
LGA    S   128_A      S   128_A     0.940     0    0.013   0.098     1.023   88.214   88.968
LGA    Q   129_A      Q   129_A     0.929     0    0.008   0.101     1.510   90.476   84.497
LGA    W   130_A      W   130_A     0.791     0    0.016   0.047     0.843   90.476   90.476
LGA    F   131_A      F   131_A     0.896     0    0.013   1.261     5.512   90.476   69.091
LGA    E   132_A      E   132_A     0.869     0    0.061   0.964     3.785   88.214   76.878
LGA    S   133_A      S   133_A     0.749     0    0.063   0.083     0.819   90.476   90.476
LGA    L   134_A      L   134_A     0.944     0    0.157   0.224     1.241   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):     0.654          0.667                  1.124           94.352   90.151

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0    132    0.65    97.917    99.229    17.510

LGA_LOCAL      RMSD:   0.654  Number of atoms:  132  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.654  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   0.654  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.424598 * X  +  -0.832198 * Y  +   0.356599 * Z  + -13.240675
  Y_new =   0.055339 * X  +  -0.416984 * Y  +  -0.907228 * Z  +   9.607285
  Z_new =   0.903689 * X  +  -0.365473 * Y  +   0.223104 * Z  +  -0.581232 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.011990 -1.128309 -1.022727   [DEG:  172.5743  -64.6473  -58.5979 ]
ZXZ:  0.374513  1.345799  1.955110   [DEG:   21.4580   77.1086  112.0196 ]
 
# END of job
