
#######################################################
#                                                     #
#                        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       0.60     0.60
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       0.60     0.60
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       0.60     0.60
  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     13  116  132  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     51  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     75  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    14_A     N    14_A    132  132  132     13   83  132  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     82  126  132  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     61  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     74  126  132  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     28  118  132  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     51  126  132  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     49  126  132  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     52  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     48  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     52  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    65_A     I    65_A    132  132  132     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     80  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     29  126  132  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     48  115  132  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     48  113  132  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     79  126  132  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     83  126  132  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     31  126  132  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     34  126  132  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     77  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    96_A     L    96_A    132  132  132      7  126  132  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     77  126  132  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     61  118  132  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     61  126  132  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     83  126  132  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     83  126  132  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     79  126  132  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     71  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     83  126  132  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     80  126  132  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     73  126  132  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     51  126  132  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     51  126  132  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     51  126  132  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     51  126  132  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     51  126  132  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     51  126  132  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     34  126  132  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     34  126  132  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     34  126  132  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     34  126  132  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     34  126  132  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     34  126  132  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     34  126  132  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     51  126  132  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     51  126  132  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     21  126  132  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     83    126    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132 
GDT PERCENT_AT  62.88  95.45 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.55   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60
GDT RMS_ALL_AT   0.67   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60   0.60

# Checking swapping
#   possible swapping detected:  E    18_A      E    18_A
#   possible swapping detected:  F    37_A      F    37_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  F    52_A      F    52_A
#   possible swapping detected:  F    55_A      F    55_A
#   possible swapping detected:  D    57_A      D    57_A
#   possible swapping detected:  F    67_A      F    67_A
#   possible swapping detected:  Y    77_A      Y    77_A
#   possible swapping detected:  D    84_A      D    84_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:  F   111_A      F   111_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  D   117_A      D   117_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     1.107     3    0.047   0.046     1.352   88.333   54.345
LGA    V     4_A      V     4_A     0.774     0    0.098   0.130     1.347   88.214   87.891
LGA    D     5_A      D     5_A     0.102     0    0.074   0.993     4.078  100.000   84.345
LGA    K     6_A      K     6_A     0.390     0    0.111   0.184     0.633   97.619   96.825
LGA    R     7_A      R     7_A     0.394     0    0.023   0.578     2.400  100.000   82.251
LGA    K     8_A      K     8_A     0.471     0    0.025   0.437     1.422   95.238   90.582
LGA    I     9_A      I     9_A     0.519     0    0.062   0.073     0.656   92.857   91.667
LGA    K    10_A      K    10_A     0.268     0    0.020   0.153     0.637  100.000   98.942
LGA    I    11_A      I    11_A     0.442     0    0.042   0.061     0.656   97.619   96.429
LGA    I    12_A      I    12_A     0.401     0    0.031   0.091     0.688   95.238   96.429
LGA    L    13_A      L    13_A     0.640     0    0.062   0.959     2.350   88.333   84.167
LGA    N    14_A      N    14_A     1.688     0    0.105   0.114     3.180   79.286   68.274
LGA    G    15_A      G    15_A     0.807     0    0.015   0.015     1.057   88.214   88.214
LGA    E    16_A      E    16_A     0.854     0    0.050   1.105     3.739   92.857   81.376
LGA    M    17_A      M    17_A     0.500     0    0.080   0.686     1.667   88.214   84.881
LGA    E    18_A      E    18_A     0.333     0    0.037   0.587     1.670  100.000   91.746
LGA    E    19_A      E    19_A     0.396     0    0.049   0.210     1.220   97.619   93.704
LGA    A    20_A      A    20_A     0.365     0    0.090   0.107     0.722   97.619   98.095
LGA    E    21_A      E    21_A     0.263     0    0.024   0.527     1.593  100.000   94.868
LGA    L    22_A      L    22_A     0.140     0    0.069   0.086     0.396  100.000  100.000
LGA    H    23_A      H    23_A     0.117     0    0.087   0.143     0.538  100.000   99.048
LGA    M    24_A      M    24_A     0.233     0    0.047   0.336     1.140  100.000   96.488
LGA    I    25_A      I    25_A     0.488     0    0.029   0.434     0.928   95.238   92.857
LGA    T    26_A      T    26_A     0.421     0    0.023   0.070     0.606  100.000   98.639
LGA    S    27_A      S    27_A     0.816     0    0.097   0.133     1.785   90.476   86.032
LGA    P    28_A      P    28_A     1.317     0    0.682   0.627     4.006   70.476   77.891
LGA    N    29_A      N    29_A     0.606     0    0.067   0.829     2.456   90.476   86.131
LGA    R    30_A      R    30_A     0.700     0    0.057   0.951     3.207   90.476   76.537
LGA    H    31_A      H    31_A     0.898     0    0.025   1.128     6.584   90.476   59.762
LGA    C    32_A      C    32_A     0.445     0    0.031   0.096     0.651   97.619   98.413
LGA    C    33_A      C    33_A     0.377     0    0.022   0.068     0.582  100.000   96.825
LGA    L    34_A      L    34_A     0.122     0    0.027   0.077     0.261  100.000  100.000
LGA    K    35_A      K    35_A     0.180     0    0.043   0.423     1.995  100.000   94.868
LGA    I    36_A      I    36_A     0.173     0    0.013   0.090     0.545  100.000   98.810
LGA    F    37_A      F    37_A     0.137     0    0.030   0.046     0.449  100.000  100.000
LGA    H    38_A      H    38_A     0.252     0    0.023   0.052     0.582   97.619   99.048
LGA    N    39_A      N    39_A     0.816     0    0.047   1.113     3.686   90.476   81.250
LGA    N    40_A      N    40_A     0.515     0    0.053   1.019     2.523   95.238   86.488
LGA    N    41_A      N    41_A     0.486     0    0.038   0.982     4.623  100.000   78.631
LGA    Q    42_A      Q    42_A     0.378     0    0.033   0.085     0.787   95.238   97.884
LGA    L    43_A      L    43_A     0.485     0    0.087   0.227     1.581   97.619   89.583
LGA    A    44_A      A    44_A     0.337     0    0.028   0.040     0.362  100.000  100.000
LGA    E    45_A      E    45_A     0.411     0    0.033   0.459     1.564   97.619   93.810
LGA    S    46_A      S    46_A     0.478     0    0.026   0.078     0.909  100.000   96.825
LGA    N    47_A      N    47_A     0.155     0    0.026   1.176     3.929  100.000   87.202
LGA    D    48_A      D    48_A     0.359     0    0.057   0.067     0.552   97.619   98.810
LGA    T    49_A      T    49_A     0.806     0    0.165   0.167     1.750   92.857   86.735
LGA    D    50_A      D    50_A     0.462     0    0.053   0.157     0.592   97.619   96.429
LGA    Y    51_A      Y    51_A     0.344     0    0.030   0.093     1.072   97.619   95.278
LGA    F    52_A      F    52_A     0.611     0    0.021   0.054     0.769   90.476   90.476
LGA    S    53_A      S    53_A     0.528     0    0.040   0.057     0.595   90.476   93.651
LGA    C    54_A      C    54_A     0.574     0    0.025   0.086     0.619   90.476   90.476
LGA    F    55_A      F    55_A     0.387     0    0.014   0.241     1.001  100.000   96.580
LGA    A    56_A      A    56_A     0.355     0    0.022   0.033     0.420  100.000  100.000
LGA    D    57_A      D    57_A     0.428     0    0.037   0.617     1.664  100.000   93.095
LGA    L    58_A      L    58_A     0.427     0    0.010   1.268     3.237  100.000   88.036
LGA    R    59_A      R    59_A     0.405     0    0.020   0.683     2.863   97.619   85.411
LGA    N    60_A      N    60_A     0.499     0    0.023   0.865     3.016  100.000   84.762
LGA    Q    61_A      Q    61_A     0.378     0    0.125   0.182     0.683   97.619   97.884
LGA    L    62_A      L    62_A     0.179     0    0.086   0.075     0.283  100.000  100.000
LGA    K    63_A      K    63_A     0.250     0    0.018   0.622     2.266  100.000   92.910
LGA    N    64_A      N    64_A     0.334     0    0.016   0.130     1.087   97.619   94.107
LGA    I    65_A      I    65_A     0.630     0    0.049   0.091     0.773   90.476   90.476
LGA    I    66_A      I    66_A     0.533     0    0.029   0.057     0.765   95.238   92.857
LGA    F    67_A      F    67_A     0.228     0    0.026   0.075     0.755  100.000   97.403
LGA    L    68_A      L    68_A     0.355     0    0.028   0.050     0.496  100.000  100.000
LGA    C    69_A      C    69_A     0.515     0    0.040   0.771     2.366   95.238   89.365
LGA    K    70_A      K    70_A     0.592     0    0.013   0.081     0.877   90.476   90.476
LGA    G    71_A      G    71_A     0.489     0    0.033   0.033     0.551   92.857   92.857
LGA    A    72_A      A    72_A     0.554     0    0.013   0.036     0.554   95.238   94.286
LGA    K    73_A      K    73_A     0.419     0    0.016   0.052     0.661  100.000   97.884
LGA    I    74_A      I    74_A     0.424     0    0.018   0.407     1.791  100.000   95.417
LGA    N    75_A      N    75_A     0.352     0    0.018   0.140     0.923  100.000   97.619
LGA    V    76_A      V    76_A     0.370     0    0.083   0.109     0.746   97.619   94.558
LGA    Y    77_A      Y    77_A     0.517     0    0.064   0.254     0.673   97.619   98.413
LGA    P    78_A      P    78_A     0.720     0    0.083   0.287     1.540   83.810   85.374
LGA    S    79_A      S    79_A     1.206     0    0.045   0.065     1.314   83.690   82.937
LGA    A    80_A      A    80_A     1.241     0    0.042   0.040     1.527   83.690   81.524
LGA    M    81_A      M    81_A     0.919     0    0.010   0.779     1.927   88.214   84.881
LGA    S    82_A      S    82_A     0.652     0    0.034   0.046     0.761   92.857   92.063
LGA    R    83_A      R    83_A     0.767     0    0.030   0.775     1.328   90.476   86.364
LGA    D    84_A      D    84_A     0.570     0    0.095   0.700     2.129   92.857   88.452
LGA    M    85_A      M    85_A     0.585     0    0.021   0.169     1.162   92.857   90.536
LGA    S    86_A      S    86_A     0.482     0    0.037   0.058     0.634   97.619   98.413
LGA    D    87_A      D    87_A     0.306     0    0.049   0.206     1.419  100.000   95.298
LGA    G    88_A      G    88_A     0.262     0    0.015   0.015     0.383  100.000  100.000
LGA    I    89_A      I    89_A     0.505     0    0.017   0.730     1.959   97.619   91.905
LGA    V    90_A      V    90_A     0.468     0    0.041   0.059     0.516  100.000   98.639
LGA    A    91_A      A    91_A     0.500     0    0.085   0.119     0.622   95.238   94.286
LGA    Y    92_A      Y    92_A     0.394     0    0.042   0.111     0.778  100.000   97.619
LGA    E    93_A      E    93_A     0.148     0    0.106   0.789     2.540   97.619   85.132
LGA    T    94_A      T    94_A     0.270     0    0.028   0.094     0.633  100.000   98.639
LGA    T    95_A      T    95_A     0.409     0    0.029   0.076     1.176  100.000   94.626
LGA    L    96_A      L    96_A     0.779     0    0.065   1.399     5.806   90.595   68.750
LGA    G    97_A      G    97_A     0.690     0    0.047   0.047     1.240   90.595   90.595
LGA    Q    98_A      Q    98_A     1.088     0    0.017   0.223     1.575   88.214   83.492
LGA    P    99_A      P    99_A     0.983     0    0.019   0.035     1.579   88.214   82.857
LGA    G   100_A      G   100_A     0.241     0    0.158   0.158     0.472  100.000  100.000
LGA    L   101_A      L   101_A     0.260     0    0.038   0.051     0.391  100.000  100.000
LGA    P   102_A      P   102_A     0.682     0    0.029   0.061     0.964   90.476   90.476
LGA    E   103_A      E   103_A     0.568     0    0.051   0.633     1.892   92.857   87.672
LGA    N   104_A      N   104_A     0.147     0    0.063   1.075     2.575  100.000   91.250
LGA    Q   105_A      Q   105_A     0.144     0    0.086   0.151     0.760  100.000   98.942
LGA    V   106_A      V   106_A     0.402     0    0.043   0.045     0.820   95.238   93.197
LGA    H   107_A      H   107_A     0.529     0    0.041   0.604     2.930   92.857   79.524
LGA    I   108_A      I   108_A     0.561     0    0.028   0.052     0.598   92.857   95.238
LGA    F   109_A      F   109_A     0.297     0    0.061   0.116     0.581  100.000   98.268
LGA    D   110_A      D   110_A     0.457     0    0.036   0.792     3.251  100.000   87.976
LGA    F   111_A      F   111_A     0.264     0    0.033   0.137     0.803   95.238   95.671
LGA    E   112_A      E   112_A     0.531     0    0.024   0.138     0.825   97.619   93.651
LGA    D   113_A      D   113_A     0.602     0    0.062   0.721     1.759   90.476   88.333
LGA    K   114_A      K   114_A     0.550     0    0.061   0.868     2.566   95.238   85.926
LGA    Y   115_A      Y   115_A     0.547     0    0.019   0.254     1.779   95.238   86.865
LGA    V   116_A      V   116_A     0.324     0    0.015   0.044     0.679  100.000   98.639
LGA    D   117_A      D   117_A     0.449     0    0.033   0.182     0.909   97.619   94.048
LGA    I   118_A      I   118_A     0.488     0    0.039   0.462     1.001   97.619   92.917
LGA    T   119_A      T   119_A     0.753     0    0.044   0.096     0.824   90.476   90.476
LGA    P   120_A      P   120_A     0.666     0    0.060   0.089     0.890   90.476   90.476
LGA    E   121_A      E   121_A     0.738     0    0.021   1.146     3.609   90.476   75.079
LGA    E   122_A      E   122_A     0.853     0    0.054   0.193     1.123   90.476   88.466
LGA    Q   123_A      Q   123_A     0.662     0    0.010   0.311     1.078   90.476   89.471
LGA    R   124_A      R   124_A     0.711     0    0.038   0.782     3.359   90.476   82.771
LGA    K   125_A      K   125_A     0.901     0    0.025   1.275     5.253   90.476   72.381
LGA    F   126_A      F   126_A     0.879     0    0.021   0.124     1.133   90.476   88.831
LGA    H   127_A      H   127_A     0.861     0    0.018   1.155     2.582   90.476   81.095
LGA    S   128_A      S   128_A     0.946     0    0.065   0.096     1.134   88.214   88.968
LGA    Q   129_A      Q   129_A     0.981     0    0.016   0.118     1.538   90.476   84.497
LGA    W   130_A      W   130_A     1.001     0    0.044   0.154     1.079   85.952   87.245
LGA    F   131_A      F   131_A     0.976     0    0.037   1.220     4.831   88.214   72.251
LGA    E   132_A      E   132_A     0.735     0    0.123   1.076     4.105   88.214   76.984
LGA    S   133_A      S   133_A     0.804     0    0.084   0.129     0.950   90.476   92.063
LGA    L   134_A      L   134_A     0.911     0    0.151   0.211     1.269   88.214   85.952

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1073   1073  100.00               132
SUMMARY(RMSD_GDC):     0.603          0.627                  1.081           94.793   90.396

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0    132    0.60    98.864    99.641    18.771

LGA_LOCAL      RMSD:   0.603  Number of atoms:  132  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.603  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   0.603  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.478902 * X  +  -0.396722 * Y  +  -0.783112 * Z  + -14.668351
  Y_new =   0.523181 * X  +   0.587351 * Y  +  -0.617495 * Z  +  11.404347
  Z_new =   0.704936 * X  +  -0.705429 * Y  +  -0.073726 * Z  +  -1.186168 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.312036 -0.782333 -1.674931   [DEG:  132.4699  -44.8244  -95.9665 ]
ZXZ: -0.903098  1.644590  2.356544   [DEG:  -51.7437   94.2280  135.0200 ]
 
# END of job
