
#######################################################
#                                                     #
#                        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       0.55     0.55
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       0.55     0.55
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       0.55     0.55
  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     25  113  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     62  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     93  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     93  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     93  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     93  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     91  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     93  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     93  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     93  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     85  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     15   43  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     85  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     34  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     59  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     91  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     93  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     93  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     93  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     93  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     93  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     93  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     90  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     93  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     28  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     36  119  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     64  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     78  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     28  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     85  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     12  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     93  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     93  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     93  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     93  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     91  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     87  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     93  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     93  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     93  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     85  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     24  126  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     12  122  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     62  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     62  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     45  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     36  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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      8  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     85  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     69  125  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     78  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     93  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     93  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     80  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     24  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     93  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     85  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     93  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     93  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     85  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     78  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     62  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     85  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     93  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     85  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     57  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     93    126    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132    132 
GDT PERCENT_AT  70.45  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    0.35   0.49   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55
GDT RMS_ALL_AT   0.56   0.56   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55   0.55

# Checking swapping
#   possible swapping detected:  E    16_A      E    16_A
#   possible swapping detected:  E    18_A      E    18_A
#   possible swapping detected:  F    37_A      F    37_A
#   possible swapping detected:  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

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    D     3_A      D     3_A     1.287     3    0.011   0.041     1.488   85.952   53.155
LGA    V     4_A      V     4_A     0.836     0    0.125   0.177     1.487   85.952   85.306
LGA    D     5_A      D     5_A     0.089     0    0.084   0.915     3.926  100.000   84.107
LGA    K     6_A      K     6_A     0.348     0    0.078   0.171     0.675   97.619   97.884
LGA    R     7_A      R     7_A     0.255     0    0.062   1.170     5.635  100.000   73.896
LGA    K     8_A      K     8_A     0.320     0    0.014   0.400     1.766   97.619   91.746
LGA    I     9_A      I     9_A     0.543     0    0.096   1.129     2.552   92.857   80.119
LGA    K    10_A      K    10_A     0.257     0    0.028   0.187     0.587  100.000   98.942
LGA    I    11_A      I    11_A     0.187     0    0.026   0.043     0.384  100.000  100.000
LGA    I    12_A      I    12_A     0.209     0    0.039   0.057     0.686   97.619   96.429
LGA    L    13_A      L    13_A     0.627     0    0.066   0.972     2.543   88.333   84.226
LGA    N    14_A      N    14_A     1.841     0    0.109   0.135     3.535   79.286   65.655
LGA    G    15_A      G    15_A     0.816     0    0.017   0.017     1.140   88.214   88.214
LGA    E    16_A      E    16_A     0.943     0    0.064   0.918     2.690   90.476   79.101
LGA    M    17_A      M    17_A     0.632     0    0.066   0.682     1.923   88.214   83.750
LGA    E    18_A      E    18_A     0.420     0    0.039   0.419     1.920  100.000   92.804
LGA    E    19_A      E    19_A     0.407     0    0.059   0.132     0.917   97.619   93.651
LGA    A    20_A      A    20_A     0.337     0    0.076   0.092     0.596   97.619   98.095
LGA    E    21_A      E    21_A     0.307     0    0.016   0.158     0.765  100.000   96.825
LGA    L    22_A      L    22_A     0.135     0    0.056   0.073     0.272  100.000  100.000
LGA    H    23_A      H    23_A     0.191     0    0.077   0.118     0.449  100.000  100.000
LGA    M    24_A      M    24_A     0.208     0    0.046   0.177     0.497  100.000  100.000
LGA    I    25_A      I    25_A     0.522     0    0.029   0.412     1.087   92.857   90.536
LGA    T    26_A      T    26_A     0.442     0    0.024   0.065     0.602  100.000   98.639
LGA    S    27_A      S    27_A     0.874     0    0.082   0.101     1.723   90.476   86.032
LGA    P    28_A      P    28_A     1.363     0    0.665   0.586     4.178   70.476   77.755
LGA    N    29_A      N    29_A     0.647     0    0.080   0.916     2.541   88.214   84.048
LGA    R    30_A      R    30_A     0.857     0    0.025   0.622     3.104   90.476   75.801
LGA    H    31_A      H    31_A     1.019     0    0.039   1.541     6.739   88.214   56.857
LGA    C    32_A      C    32_A     0.489     0    0.029   0.094     0.714   97.619   98.413
LGA    C    33_A      C    33_A     0.349     0    0.019   0.072     0.514  100.000   98.413
LGA    L    34_A      L    34_A     0.147     0    0.027   0.070     0.264  100.000  100.000
LGA    K    35_A      K    35_A     0.164     0    0.037   0.177     1.206  100.000   96.878
LGA    I    36_A      I    36_A     0.153     0    0.019   0.040     0.202  100.000  100.000
LGA    F    37_A      F    37_A     0.079     0    0.022   0.069     0.371  100.000  100.000
LGA    H    38_A      H    38_A     0.197     0    0.020   0.050     0.452  100.000  100.000
LGA    N    39_A      N    39_A     0.636     0    0.045   1.109     3.371   92.857   84.345
LGA    N    40_A      N    40_A     0.351     0    0.053   0.774     1.755  100.000   93.214
LGA    N    41_A      N    41_A     0.337     0    0.029   1.000     4.590  100.000   79.821
LGA    Q    42_A      Q    42_A     0.267     0    0.041   0.112     0.688   97.619   97.884
LGA    L    43_A      L    43_A     0.280     0    0.065   0.266     1.558  100.000   93.095
LGA    A    44_A      A    44_A     0.286     0    0.032   0.041     0.358  100.000  100.000
LGA    E    45_A      E    45_A     0.348     0    0.034   0.551     1.646  100.000   95.926
LGA    S    46_A      S    46_A     0.341     0    0.022   0.046     0.491  100.000  100.000
LGA    N    47_A      N    47_A     0.194     0    0.022   0.071     0.307  100.000  100.000
LGA    D    48_A      D    48_A     0.449     0    0.053   0.164     0.821   95.238   94.048
LGA    T    49_A      T    49_A     0.926     0    0.113   0.108     2.006   92.857   85.578
LGA    D    50_A      D    50_A     0.298     0    0.041   0.097     0.410  100.000  100.000
LGA    Y    51_A      Y    51_A     0.286     0    0.040   0.088     1.025  100.000   96.071
LGA    F    52_A      F    52_A     0.452     0    0.016   0.047     0.473  100.000  100.000
LGA    S    53_A      S    53_A     0.371     0    0.040   0.049     0.434  100.000  100.000
LGA    C    54_A      C    54_A     0.465     0    0.024   0.087     0.629  100.000   96.825
LGA    F    55_A      F    55_A     0.328     0    0.014   0.316     1.423  100.000   94.935
LGA    A    56_A      A    56_A     0.312     0    0.021   0.031     0.387  100.000  100.000
LGA    D    57_A      D    57_A     0.374     0    0.035   0.483     1.324  100.000   94.167
LGA    L    58_A      L    58_A     0.381     0    0.011   1.277     3.216  100.000   88.036
LGA    R    59_A      R    59_A     0.436     0    0.018   0.581     2.325   97.619   85.974
LGA    N    60_A      N    60_A     0.547     0    0.025   0.891     3.120   97.619   83.571
LGA    Q    61_A      Q    61_A     0.358     0    0.123   0.177     0.565   97.619   97.884
LGA    L    62_A      L    62_A     0.252     0    0.090   0.082     0.351  100.000  100.000
LGA    K    63_A      K    63_A     0.265     0    0.021   0.607     1.990  100.000   94.868
LGA    N    64_A      N    64_A     0.337     0    0.012   0.122     0.746   97.619   95.238
LGA    I    65_A      I    65_A     0.542     0    0.042   0.056     0.637   90.476   90.476
LGA    I    66_A      I    66_A     0.433     0    0.022   0.035     0.579  100.000   97.619
LGA    F    67_A      F    67_A     0.183     0    0.013   0.057     0.737  100.000   97.403
LGA    L    68_A      L    68_A     0.280     0    0.030   0.110     0.543  100.000   98.810
LGA    C    69_A      C    69_A     0.574     0    0.049   0.795     2.488   95.238   89.365
LGA    K    70_A      K    70_A     0.498     0    0.026   0.057     0.844   97.619   94.709
LGA    G    71_A      G    71_A     0.362     0    0.046   0.046     0.434  100.000  100.000
LGA    A    72_A      A    72_A     0.409     0    0.040   0.055     0.409  100.000  100.000
LGA    K    73_A      K    73_A     0.333     0    0.025   0.087     0.485  100.000  100.000
LGA    I    74_A      I    74_A     0.251     0    0.027   0.419     2.069  100.000   94.405
LGA    N    75_A      N    75_A     0.205     0    0.013   0.154     0.925  100.000   97.619
LGA    V    76_A      V    76_A     0.317     0    0.061   0.079     0.616   97.619   97.279
LGA    Y    77_A      Y    77_A     0.335     0    0.050   0.197     0.596  100.000   99.206
LGA    P    78_A      P    78_A     0.440     0    0.069   0.297     1.168   92.976   93.265
LGA    S    79_A      S    79_A     0.924     0    0.051   0.055     0.956   90.476   90.476
LGA    A    80_A      A    80_A     1.162     0    0.025   0.038     1.393   85.952   85.048
LGA    M    81_A      M    81_A     0.857     0    0.015   0.822     1.935   88.214   86.012
LGA    S    82_A      S    82_A     0.761     0    0.020   0.583     1.691   90.476   87.540
LGA    R    83_A      R    83_A     0.998     0    0.017   0.680     1.259   90.476   88.874
LGA    D    84_A      D    84_A     0.773     0    0.130   0.766     1.989   88.214   84.881
LGA    M    85_A      M    85_A     0.478     0    0.009   0.592     1.612   97.619   90.714
LGA    S    86_A      S    86_A     0.347     0    0.027   0.047     0.428  100.000  100.000
LGA    D    87_A      D    87_A     0.222     0    0.026   0.169     0.890  100.000   96.429
LGA    G    88_A      G    88_A     0.161     0    0.021   0.021     0.264  100.000  100.000
LGA    I    89_A      I    89_A     0.302     0    0.009   0.653     2.117  100.000   95.595
LGA    V    90_A      V    90_A     0.302     0    0.011   0.070     0.447  100.000  100.000
LGA    A    91_A      A    91_A     0.341     0    0.067   0.093     0.413  100.000  100.000
LGA    Y    92_A      Y    92_A     0.350     0    0.040   0.120     0.684  100.000   99.206
LGA    E    93_A      E    93_A     0.188     0    0.049   0.861     3.138   97.619   86.296
LGA    T    94_A      T    94_A     0.417     0    0.014   0.075     0.650  100.000   98.639
LGA    T    95_A      T    95_A     0.405     0    0.026   0.069     0.966  100.000   95.918
LGA    L    96_A      L    96_A     0.668     0    0.071   1.401     5.642   95.238   71.071
LGA    G    97_A      G    97_A     0.666     0    0.046   0.046     1.127   90.595   90.595
LGA    Q    98_A      Q    98_A     1.021     0    0.014   0.158     1.513   88.214   83.492
LGA    P    99_A      P    99_A     0.857     0    0.022   0.028     1.477   88.214   85.306
LGA    G   100_A      G   100_A     0.372     0    0.143   0.143     0.529   97.619   97.619
LGA    L   101_A      L   101_A     0.373     0    0.035   0.041     0.470  100.000  100.000
LGA    P   102_A      P   102_A     0.748     0    0.020   0.037     1.112   90.476   87.891
LGA    E   103_A      E   103_A     0.685     0    0.047   0.955     2.946   90.476   85.820
LGA    N   104_A      N   104_A     0.215     0    0.065   1.081     2.505  100.000   91.250
LGA    Q   105_A      Q   105_A     0.163     0    0.072   0.265     1.130  100.000   97.937
LGA    V   106_A      V   106_A     0.325     0    0.031   0.038     0.655   97.619   95.918
LGA    H   107_A      H   107_A     0.379     0    0.031   0.106     0.505  100.000   99.048
LGA    I   108_A      I   108_A     0.397     0    0.039   0.054     0.480  100.000  100.000
LGA    F   109_A      F   109_A     0.415     0    0.017   0.105     0.474  100.000  100.000
LGA    D   110_A      D   110_A     0.535     0    0.057   0.129     0.971   95.238   92.857
LGA    F   111_A      F   111_A     0.327     0    0.037   0.110     0.667   97.619   99.134
LGA    E   112_A      E   112_A     0.461     0    0.015   0.097     0.760  100.000   95.767
LGA    D   113_A      D   113_A     0.447     0    0.051   0.144     0.828   95.238   95.238
LGA    K   114_A      K   114_A     0.460     0    0.052   0.862     2.890  100.000   88.042
LGA    Y   115_A      Y   115_A     0.433     0    0.017   0.236     1.749  100.000   88.413
LGA    V   116_A      V   116_A     0.166     0    0.032   0.059     0.486  100.000  100.000
LGA    D   117_A      D   117_A     0.534     0    0.028   0.136     0.805   92.857   91.667
LGA    I   118_A      I   118_A     0.527     0    0.043   0.099     0.688   90.476   91.667
LGA    T   119_A      T   119_A     0.611     0    0.034   0.081     0.654   92.857   91.837
LGA    P   120_A      P   120_A     0.523     0    0.038   0.059     0.710   90.476   90.476
LGA    E   121_A      E   121_A     0.575     0    0.037   0.907     3.260   90.476   79.418
LGA    E   122_A      E   122_A     0.607     0    0.061   0.212     1.140   90.476   89.471
LGA    Q   123_A      Q   123_A     0.379     0    0.014   0.162     0.504  100.000   98.942
LGA    R   124_A      R   124_A     0.492     0    0.019   0.688     2.924   95.238   88.571
LGA    K   125_A      K   125_A     0.639     0    0.046   1.336     5.958   90.476   70.317
LGA    F   126_A      F   126_A     0.537     0    0.022   0.155     0.937   90.476   93.939
LGA    H   127_A      H   127_A     0.554     0    0.012   1.151     2.346   90.476   84.571
LGA    S   128_A      S   128_A     0.694     0    0.063   0.183     0.924   90.476   92.063
LGA    Q   129_A      Q   129_A     0.745     0    0.016   0.109     1.341   90.476   87.460
LGA    W   130_A      W   130_A     0.737     0    0.044   0.106     0.937   90.476   90.476
LGA    F   131_A      F   131_A     0.707     0    0.038   1.133     4.873   90.476   72.597
LGA    E   132_A      E   132_A     0.560     0    0.123   1.108     4.450   90.476   76.349
LGA    S   133_A      S   133_A     0.642     0    0.071   0.114     0.757   90.476   92.063
LGA    L   134_A      L   134_A     0.837     0    0.160   0.199     1.086   90.476   88.214

# 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):     0.555          0.582                  1.071           95.848   91.743

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  142  132    4.0    132    0.55    98.864    99.641    20.164

LGA_LOCAL      RMSD:   0.555  Number of atoms:  132  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   0.555  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   0.555  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.170041 * X  +   0.871878 * Y  +  -0.459255 * Z  + -14.978745
  Y_new =   0.905904 * X  +  -0.321727 * Y  +  -0.275372 * Z  +  10.055758
  Z_new =  -0.387845 * X  +  -0.369216 * Y  +  -0.844545 * Z  +  -1.762485 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.385252  0.398293 -2.729453   [DEG:   79.3691   22.8205 -156.3861 ]
ZXZ: -1.030666  2.576510 -2.331592   [DEG:  -59.0528  147.6232 -133.5904 ]
 
# END of job
