
#######################################################
#                                                     #
#                        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  132 ( 1004),  selected  132 , name one
# Molecule2: number of CA atoms  133 ( 1010),  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       1.38     1.38
  LCS_AVERAGE:     99.25

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       1.38     1.38
  LCS_AVERAGE:     99.25

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   130       5_A - 134_A       0.96     1.39
  LCS_AVERAGE:     96.30

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     M     3_A     M     3_A      3  132  132      3    3    3    3    4    4    4    5   91  126  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     A     4_A     A     4_A      3  132  132      3    3    3    3    5    6    8    9   41   87  128  132  132  132  132  132  132  132  132  132 
LCS_GDT     E     5_A     E     5_A    130  132  132      3    3    4    4   12   34   66  111  127  127  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     L     6_A     L     6_A    130  132  132      3    3    4    4    5   10   68  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     K     7_A     K     7_A    130  132  132      3   10  117  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q     8_A     Q     8_A    130  132  132     33  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     E     9_A     E     9_A    130  132  132    105  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     W    10_A     W    10_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    11_A     I    11_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    12_A     N    12_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    13_A     T    13_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    14_A     A    14_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    15_A     I    15_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    16_A     E    16_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    17_A     A    17_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    18_A     L    18_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    19_A     D    19_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    20_A     K    20_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    21_A     A    21_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    22_A     Y    22_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    23_A     V    23_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    24_A     P    24_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    25_A     Y    25_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    26_A     S    26_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    27_A     H    27_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    28_A     F    28_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    29_A     P    29_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    30_A     V    30_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    31_A     G    31_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    32_A     A    32_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    33_A     C    33_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    34_A     L    34_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    35_A     V    35_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    36_A     T    36_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    37_A     E    37_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    38_A     S    38_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    39_A     G    39_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    40_A     K    40_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    41_A     I    41_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y    42_A     Y    42_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    43_A     Q    43_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    44_A     G    44_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    45_A     I    45_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    46_A     N    46_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    47_A     I    47_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    48_A     E    48_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    49_A     N    49_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    50_A     A    50_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    51_A     S    51_A    130  132  132     99  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    52_A     F    52_A    130  132  132    106  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    53_A     G    53_A    130  132  132     99  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    54_A     L    54_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    55_A     T    55_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     N    56_A     N    56_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    57_A     C    57_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    58_A     A    58_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    59_A     E    59_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    60_A     R    60_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    61_A     T    61_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    62_A     A    62_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    63_A     F    63_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    64_A     F    64_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     K    65_A     K    65_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    66_A     A    66_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    67_A     V    67_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    68_A     S    68_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    69_A     E    69_A    130  132  132     96  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    70_A     G    70_A    130  132  132     96  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    71_A     E    71_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    72_A     R    72_A    130  132  132     88  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    73_A     S    73_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     F    74_A     F    74_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    75_A     T    75_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    76_A     H    76_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     L    77_A     L    77_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    78_A     V    78_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    79_A     V    79_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    80_A     A    80_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    81_A     G    81_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     H    82_A     H    82_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     T    83_A     T    83_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    84_A     P    84_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     D    85_A     D    85_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    86_A     P    86_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     I    87_A     I    87_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     S    88_A     S    88_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     P    89_A     P    89_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    90_A     C    90_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     G    91_A     G    91_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    92_A     A    92_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     C    93_A     C    93_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     R    94_A     R    94_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     Q    95_A     Q    95_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     V    96_A     V    96_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     M    97_A     M    97_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     A    98_A     A    98_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     E    99_A     E    99_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   100_A     F   100_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     C   101_A     C   101_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     A   102_A     A   102_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     P   103_A     P   103_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   104_A     D   104_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     M   105_A     M   105_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     P   106_A     P   106_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     V   107_A     V   107_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     T   108_A     T   108_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     L   109_A     L   109_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     V   110_A     V   110_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     G   111_A     G   111_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   112_A     D   112_A    130  132  132    110  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     N   113_A     N   113_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     G   114_A     G   114_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     V   115_A     V   115_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     T   116_A     T   116_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     K   117_A     K   117_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     A   118_A     A   118_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     T   119_A     T   119_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     T   120_A     T   120_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     V   121_A     V   121_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     R   122_A     R   122_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   123_A     E   123_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     L   124_A     L   124_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     L   125_A     L   125_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     P   126_A     P   126_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     Y   127_A     Y   127_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     A   128_A     A   128_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     F   129_A     F   129_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     T   130_A     T   130_A    130  132  132    114  123  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     E   131_A     E   131_A    130  132  132     23  115  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     K   132_A     K   132_A    130  132  132      4  115  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     D   133_A     D   133_A    130  132  132      3    3    5    5  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_GDT     L   134_A     L   134_A    130  132  132      3   49  126  127  128  128  128  129  129  129  129  132  132  132  132  132  132  132  132  132 
LCS_AVERAGE  LCS_A:  98.26  (  96.30   99.25   99.25 )

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    114    123    126    127    128    128    128    129    129    129    129    132    132    132    132    132    132    132    132    132 
GDT PERCENT_AT  85.71  92.48  94.74  95.49  96.24  96.24  96.24  96.99  96.99  96.99  96.99  99.25  99.25  99.25  99.25  99.25  99.25  99.25  99.25  99.25
GDT RMS_LOCAL    0.27   0.32   0.46   0.49   0.56   0.56   0.56   0.72   0.72   0.72   0.72   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38
GDT RMS_ALL_AT   1.40   1.41   1.41   1.41   1.42   1.42   1.42   1.41   1.41   1.41   1.41   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38   1.38

# Checking swapping
#   possible swapping detected:  E     5_A      E     5_A
#   possible swapping detected:  E    16_A      E    16_A
#   possible swapping detected:  Y    22_A      Y    22_A
#   possible swapping detected:  F    28_A      F    28_A
#   possible swapping detected:  E    37_A      E    37_A
#   possible swapping detected:  Y    42_A      Y    42_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  E    59_A      E    59_A
#   possible swapping detected:  E    69_A      E    69_A
#   possible swapping detected:  E    71_A      E    71_A
#   possible swapping detected:  E    99_A      E    99_A
#   possible swapping detected:  E   123_A      E   123_A
#   possible swapping detected:  F   129_A      F   129_A
#   possible swapping detected:  E   131_A      E   131_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    M     3_A      M     3_A     8.334     0    0.645   1.291     9.912    4.881    4.405
LGA    A     4_A      A     4_A     8.508     0    0.630   0.597    10.185    4.405    3.524
LGA    E     5_A      E     5_A     7.270     0    0.617   0.582     7.510   12.619   12.011
LGA    L     6_A      L     6_A     5.129     0    0.593   1.391    10.889   33.452   19.345
LGA    K     7_A      K     7_A     2.036     0    0.619   0.999    13.177   75.238   39.788
LGA    Q     8_A      Q     8_A     0.941     0    0.017   0.074     1.323   90.595   91.587
LGA    E     9_A      E     9_A     0.600     0    0.041   0.420     1.702   95.238   90.635
LGA    W    10_A      W    10_A     0.265     0    0.016   0.162     0.470  100.000  100.000
LGA    I    11_A      I    11_A     0.340     0    0.033   0.094     0.902  100.000   97.619
LGA    N    12_A      N    12_A     0.210     0    0.060   0.167     0.595  100.000   98.810
LGA    T    13_A      T    13_A     0.224     0    0.016   0.089     0.376  100.000  100.000
LGA    A    14_A      A    14_A     0.228     0    0.036   0.038     0.298  100.000  100.000
LGA    I    15_A      I    15_A     0.208     0    0.046   0.081     0.360  100.000  100.000
LGA    E    16_A      E    16_A     0.272     0    0.088   0.296     0.852   97.619   96.825
LGA    A    17_A      A    17_A     0.327     0    0.028   0.033     0.470  100.000  100.000
LGA    L    18_A      L    18_A     0.300     0    0.053   0.069     0.460  100.000  100.000
LGA    D    19_A      D    19_A     0.214     0    0.013   0.181     0.604  100.000   97.619
LGA    K    20_A      K    20_A     0.352     0    0.003   0.215     0.724  100.000   97.884
LGA    A    21_A      A    21_A     0.271     0    0.106   0.123     0.579   97.619   98.095
LGA    Y    22_A      Y    22_A     0.331     0    0.009   0.038     0.726  100.000   96.032
LGA    V    23_A      V    23_A     0.361     0    0.020   0.035     0.431  100.000  100.000
LGA    P    24_A      P    24_A     0.484     0    0.013   0.036     0.551   97.619   94.558
LGA    Y    25_A      Y    25_A     0.358     0    0.023   0.164     0.974  100.000   96.825
LGA    S    26_A      S    26_A     0.298     0    0.014   0.086     0.352  100.000  100.000
LGA    H    27_A      H    27_A     0.347     0    0.026   0.433     2.067  100.000   87.286
LGA    F    28_A      F    28_A     0.270     0    0.033   0.041     0.656  100.000   97.403
LGA    P    29_A      P    29_A     0.409     0    0.026   0.036     0.426  100.000  100.000
LGA    V    30_A      V    30_A     0.192     0    0.021   0.033     0.281  100.000  100.000
LGA    G    31_A      G    31_A     0.213     0    0.026   0.026     0.240  100.000  100.000
LGA    A    32_A      A    32_A     0.125     0    0.021   0.027     0.215  100.000  100.000
LGA    C    33_A      C    33_A     0.108     0    0.027   0.066     0.227  100.000  100.000
LGA    L    34_A      L    34_A     0.191     0    0.013   0.052     0.223  100.000  100.000
LGA    V    35_A      V    35_A     0.223     0    0.016   0.024     0.373  100.000  100.000
LGA    T    36_A      T    36_A     0.350     0    0.022   0.064     0.469  100.000  100.000
LGA    E    37_A      E    37_A     0.505     0    0.059   0.550     1.262   95.238   93.757
LGA    S    38_A      S    38_A     0.241     0    0.050   0.127     0.392  100.000  100.000
LGA    G    39_A      G    39_A     0.477     0    0.036   0.036     0.477  100.000  100.000
LGA    K    40_A      K    40_A     0.205     0    0.035   0.160     0.513  100.000   98.942
LGA    I    41_A      I    41_A     0.419     0    0.072   1.425     3.615  100.000   81.964
LGA    Y    42_A      Y    42_A     0.142     0    0.065   0.092     0.237  100.000  100.000
LGA    Q    43_A      Q    43_A     0.198     0    0.014   0.134     0.365  100.000  100.000
LGA    G    44_A      G    44_A     0.286     0    0.022   0.022     0.286  100.000  100.000
LGA    I    45_A      I    45_A     0.127     0    0.020   0.074     0.598  100.000   98.810
LGA    N    46_A      N    46_A     0.228     0    0.060   0.084     0.347  100.000  100.000
LGA    I    47_A      I    47_A     0.255     0    0.039   0.055     0.415  100.000  100.000
LGA    E    48_A      E    48_A     0.257     0    0.029   0.197     0.816  100.000   98.942
LGA    N    49_A      N    49_A     0.337     0    0.039   0.067     0.820  100.000   96.429
LGA    A    50_A      A    50_A     0.257     0    0.031   0.039     0.592   97.619   98.095
LGA    S    51_A      S    51_A     0.618     0    0.022   0.029     1.020   92.857   90.556
LGA    F    52_A      F    52_A     0.546     0    0.056   0.103     0.619   95.238   92.208
LGA    G    53_A      G    53_A     0.671     0    0.018   0.018     0.671   90.476   90.476
LGA    L    54_A      L    54_A     0.416     0    0.012   0.124     0.846  100.000   96.429
LGA    T    55_A      T    55_A     0.086     0    0.093   0.110     0.483  100.000  100.000
LGA    N    56_A      N    56_A     0.218     0    0.045   0.150     0.413  100.000  100.000
LGA    C    57_A      C    57_A     0.194     0    0.031   0.052     0.453  100.000  100.000
LGA    A    58_A      A    58_A     0.155     0    0.024   0.022     0.208  100.000  100.000
LGA    E    59_A      E    59_A     0.183     0    0.025   0.154     0.528  100.000   98.942
LGA    R    60_A      R    60_A     0.143     0    0.046   0.130     1.192  100.000   94.026
LGA    T    61_A      T    61_A     0.173     0    0.015   0.048     0.289  100.000  100.000
LGA    A    62_A      A    62_A     0.231     0    0.023   0.022     0.260  100.000  100.000
LGA    F    63_A      F    63_A     0.206     0    0.038   0.051     0.246  100.000  100.000
LGA    F    64_A      F    64_A     0.137     0    0.011   0.070     0.435  100.000  100.000
LGA    K    65_A      K    65_A     0.290     0    0.056   0.617     2.354  100.000   86.138
LGA    A    66_A      A    66_A     0.315     0    0.021   0.020     0.343  100.000  100.000
LGA    V    67_A      V    67_A     0.412     0    0.037   0.058     0.489  100.000  100.000
LGA    S    68_A      S    68_A     0.524     0    0.057   0.095     0.719   92.857   92.063
LGA    E    69_A      E    69_A     0.879     0    0.021   0.776     3.188   88.214   78.254
LGA    G    70_A      G    70_A     0.905     0    0.041   0.041     0.905   90.476   90.476
LGA    E    71_A      E    71_A     0.600     0    0.022   0.156     0.842   90.476   91.534
LGA    R    72_A      R    72_A     0.862     0    0.045   1.148     4.508   90.476   77.879
LGA    S    73_A      S    73_A     0.612     0    0.072   0.077     0.629   92.857   92.063
LGA    F    74_A      F    74_A     0.241     0    0.008   0.054     0.341  100.000  100.000
LGA    T    75_A      T    75_A     0.173     0    0.036   0.070     0.251  100.000  100.000
LGA    H    76_A      H    76_A     0.151     0    0.016   0.088     0.312  100.000  100.000
LGA    L    77_A      L    77_A     0.134     0    0.013   0.036     0.299  100.000  100.000
LGA    V    78_A      V    78_A     0.198     0    0.013   0.045     0.356  100.000  100.000
LGA    V    79_A      V    79_A     0.154     0    0.018   0.085     0.243  100.000  100.000
LGA    A    80_A      A    80_A     0.216     0    0.025   0.033     0.239  100.000  100.000
LGA    G    81_A      G    81_A     0.306     0    0.035   0.035     0.566   97.619   97.619
LGA    H    82_A      H    82_A     0.430     0    0.090   0.126     0.765   95.238   96.190
LGA    T    83_A      T    83_A     0.484     0    0.022   0.063     0.700   97.619   94.558
LGA    P    84_A      P    84_A     0.399     0    0.038   0.396     1.073  100.000   95.986
LGA    D    85_A      D    85_A     0.500     0    0.031   0.118     0.870   97.619   94.048
LGA    P    86_A      P    86_A     0.460     0    0.074   0.076     0.590   97.619   98.639
LGA    I    87_A      I    87_A     0.352     0    0.057   0.088     0.389  100.000  100.000
LGA    S    88_A      S    88_A     0.526     0    0.045   0.130     1.164   95.238   92.143
LGA    P    89_A      P    89_A     0.418     0    0.035   0.073     0.543  100.000   98.639
LGA    C    90_A      C    90_A     0.417     0    0.023   0.065     0.455  100.000  100.000
LGA    G    91_A      G    91_A     0.513     0    0.039   0.039     0.513   97.619   97.619
LGA    A    92_A      A    92_A     0.434     0    0.019   0.018     0.490  100.000  100.000
LGA    C    93_A      C    93_A     0.137     0    0.024   0.065     0.294  100.000  100.000
LGA    R    94_A      R    94_A     0.159     0    0.037   0.116     1.127  100.000   94.026
LGA    Q    95_A      Q    95_A     0.179     0    0.044   0.085     0.412  100.000  100.000
LGA    V    96_A      V    96_A     0.100     0    0.030   0.026     0.225  100.000  100.000
LGA    M    97_A      M    97_A     0.211     0    0.021   0.945     2.769  100.000   92.262
LGA    A    98_A      A    98_A     0.263     0    0.022   0.023     0.454  100.000  100.000
LGA    E    99_A      E    99_A     0.314     0    0.042   0.163     0.937  100.000   96.825
LGA    F   100_A      F   100_A     0.139     0    0.047   0.060     0.178  100.000  100.000
LGA    C   101_A      C   101_A     0.214     0    0.020   0.024     0.363  100.000  100.000
LGA    A   102_A      A   102_A     0.147     0    0.013   0.014     0.222  100.000  100.000
LGA    P   103_A      P   103_A     0.154     0    0.089   0.095     0.354  100.000  100.000
LGA    D   104_A      D   104_A     0.111     0    0.039   0.502     1.724  100.000   94.226
LGA    M   105_A      M   105_A     0.225     0    0.022   0.095     0.391  100.000  100.000
LGA    P   106_A      P   106_A     0.304     0    0.011   0.257     0.785  100.000   98.639
LGA    V   107_A      V   107_A     0.235     0    0.015   0.024     0.263  100.000  100.000
LGA    T   108_A      T   108_A     0.142     0    0.020   0.054     0.200  100.000  100.000
LGA    L   109_A      L   109_A     0.139     0    0.010   0.045     0.273  100.000  100.000
LGA    V   110_A      V   110_A     0.097     0    0.044   0.076     0.178  100.000  100.000
LGA    G   111_A      G   111_A     0.416     0    0.026   0.026     0.492  100.000  100.000
LGA    D   112_A      D   112_A     0.649     0    0.045   0.139     1.735   95.238   88.393
LGA    N   113_A      N   113_A     0.352     0    0.067   0.848     3.448  100.000   86.845
LGA    G   114_A      G   114_A     0.390     0    0.047   0.047     0.390  100.000  100.000
LGA    V   115_A      V   115_A     0.228     0    0.068   1.111     2.634   97.619   86.395
LGA    T   116_A      T   116_A     0.074     0    0.016   0.050     0.219  100.000  100.000
LGA    K   117_A      K   117_A     0.169     0    0.036   0.664     1.296  100.000   94.815
LGA    A   118_A      A   118_A     0.383     0    0.072   0.093     0.542  100.000   98.095
LGA    T   119_A      T   119_A     0.115     0    0.074   0.124     0.519   97.619   98.639
LGA    T   120_A      T   120_A     0.256     0    0.020   0.074     0.478  100.000  100.000
LGA    V   121_A      V   121_A     0.219     0    0.023   0.061     0.299  100.000  100.000
LGA    R   122_A      R   122_A     0.250     0    0.026   1.116     3.887  100.000   85.281
LGA    E   123_A      E   123_A     0.270     0    0.032   0.276     0.905  100.000   97.884
LGA    L   124_A      L   124_A     0.130     0    0.064   0.063     0.407  100.000  100.000
LGA    L   125_A      L   125_A     0.135     0    0.042   0.085     0.510  100.000   98.810
LGA    P   126_A      P   126_A     0.165     0    0.040   0.353     1.046   97.619   95.986
LGA    Y   127_A      Y   127_A     0.450     0    0.049   1.297     8.069  100.000   64.286
LGA    A   128_A      A   128_A     0.517     0    0.037   0.058     0.606   95.238   94.286
LGA    F   129_A      F   129_A     0.344     0    0.013   0.082     0.555  100.000   98.268
LGA    T   130_A      T   130_A     0.260     0    0.034   0.173     1.320   95.238   90.612
LGA    E   131_A      E   131_A     1.433     0    0.118   0.891     3.711   81.548   68.466
LGA    K   132_A      K   132_A     1.773     0    0.094   0.614     5.332   65.357   52.487
LGA    D   133_A      D   133_A     3.261     0    0.031   0.286     5.476   50.119   41.607
LGA    L   134_A      L   134_A     2.444     0    0.071   0.952     3.944   55.714   61.250

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1004   1004  100.00               133
SUMMARY(RMSD_GDC):     1.377          1.359                  1.741           94.255   91.745

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  133    4.0    129    0.72    96.053    97.144    15.649

LGA_LOCAL      RMSD:   0.724  Number of atoms:  129  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.410  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   1.377  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.790170 * X  +  -0.294681 * Y  +  -0.537396 * Z  + -30.404055
  Y_new =   0.425029 * X  +  -0.895196 * Y  +  -0.134070 * Z  +  25.302559
  Z_new =  -0.441567 * X  +  -0.334347 * Y  +   0.832605 * Z  + -12.920693 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.648090  0.457344 -0.381856   [DEG:  151.7244   26.2039  -21.8788 ]
ZXZ: -1.326307  0.587002 -2.218879   [DEG:  -75.9918   33.6327 -127.1324 ]
 
# END of job
