
#######################################################
#                                                     #
#                        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       1.37     1.37
  LCS_AVERAGE:     99.25

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   132       3_A - 134_A       1.37     1.37
  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     1.38
  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   16   94  126  129  131  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    7    9   42   87  128  129  132  132  132  132  132  132  132  132 
LCS_GDT     E     5_A     E     5_A    130  132  132      3    3    4    4   12   24   67  111  127  128  129  131  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  128  129  129  129  129  131  132  132  132  132  132  132  132  132 
LCS_GDT     K     7_A     K     7_A    130  132  132      3    3  121  127  128  128  128  129  129  129  129  131  132  132  132  132  132  132  132  132 
LCS_GDT     Q     8_A     Q     8_A    130  132  132      8  123  126  127  128  128  128  129  129  129  129  131  132  132  132  132  132  132  132  132 
LCS_GDT     E     9_A     E     9_A    130  132  132    100  123  126  127  128  128  128  129  129  129  129  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  132  132  132  132  132  132  132  132 
LCS_GDT     S    51_A     S    51_A    130  132  132     89  123  126  127  128  128  128  129  129  129  129  131  132  132  132  132  132  132  132  132 
LCS_GDT     F    52_A     F    52_A    130  132  132    112  123  126  127  128  128  128  129  129  129  129  131  132  132  132  132  132  132  132  132 
LCS_GDT     G    53_A     G    53_A    130  132  132     89  123  126  127  128  128  128  129  129  129  129  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  132  132  132  132  132  132  132  132 
LCS_GDT     E    69_A     E    69_A    130  132  132    110  123  126  127  128  128  128  129  129  129  129  131  132  132  132  132  132  132  132  132 
LCS_GDT     G    70_A     G    70_A    130  132  132    110  123  126  127  128  128  128  129  129  129  129  131  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  131  132  132  132  132  132  132  132  132 
LCS_GDT     R    72_A     R    72_A    130  132  132    110  123  126  127  128  128  128  129  129  129  129  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  132  132  132  132  132  132  132  132 
LCS_GDT     D   112_A     D   112_A    130  132  132    113  123  126  127  128  128  128  129  129  129  129  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  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  131  132  132  132  132  132  132  132  132 
LCS_GDT     E   131_A     E   131_A    130  132  132     22  114  126  127  128  128  128  129  129  129  129  131  132  132  132  132  132  132  132  132 
LCS_GDT     K   132_A     K   132_A    130  132  132      3  111  126  127  128  128  128  129  129  129  129  131  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  131  132  132  132  132  132  132  132  132 
LCS_GDT     L   134_A     L   134_A    130  132  132      3    3  126  127  128  128  128  129  129  129  129  131  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    131    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  98.50  99.25  99.25  99.25  99.25  99.25  99.25  99.25  99.25
GDT RMS_LOCAL    0.28   0.33   0.47   0.51   0.59   0.59   0.59   0.74   0.74   0.74   0.74   1.18   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37
GDT RMS_ALL_AT   1.39   1.40   1.41   1.41   1.41   1.41   1.41   1.40   1.40   1.40   1.40   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37   1.37

# 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     8.171     0    0.653   1.254     9.823    4.881    5.119
LGA    A     4_A      A     4_A     8.416     0    0.641   0.606    10.147    5.357    4.286
LGA    E     5_A      E     5_A     7.186     0    0.632   0.588     7.469   13.571   13.122
LGA    L     6_A      L     6_A     5.084     0    0.613   1.375    10.805   33.452   19.821
LGA    K     7_A      K     7_A     2.103     0    0.623   0.995    13.198   75.238   39.365
LGA    Q     8_A      Q     8_A     0.968     0    0.016   0.080     1.354   90.595   91.587
LGA    E     9_A      E     9_A     0.635     0    0.017   0.402     1.827   95.238   89.630
LGA    W    10_A      W    10_A     0.233     0    0.010   0.176     0.456  100.000  100.000
LGA    I    11_A      I    11_A     0.330     0    0.054   0.079     0.886  100.000   97.619
LGA    N    12_A      N    12_A     0.213     0    0.052   0.164     0.547  100.000   98.810
LGA    T    13_A      T    13_A     0.224     0    0.027   0.090     0.407  100.000  100.000
LGA    A    14_A      A    14_A     0.199     0    0.036   0.043     0.278  100.000  100.000
LGA    I    15_A      I    15_A     0.168     0    0.066   0.096     0.333  100.000  100.000
LGA    E    16_A      E    16_A     0.254     0    0.080   0.279     0.747   97.619   96.825
LGA    A    17_A      A    17_A     0.311     0    0.027   0.034     0.467  100.000  100.000
LGA    L    18_A      L    18_A     0.267     0    0.087   0.114     0.623   97.619   98.810
LGA    D    19_A      D    19_A     0.201     0    0.022   0.163     0.586  100.000   97.619
LGA    K    20_A      K    20_A     0.342     0    0.017   0.217     0.792  100.000   97.884
LGA    A    21_A      A    21_A     0.261     0    0.080   0.092     0.496  100.000  100.000
LGA    Y    22_A      Y    22_A     0.365     0    0.020   0.040     0.740  100.000   94.444
LGA    V    23_A      V    23_A     0.377     0    0.027   0.043     0.409  100.000  100.000
LGA    P    24_A      P    24_A     0.446     0    0.026   0.031     0.560   97.619   94.558
LGA    Y    25_A      Y    25_A     0.395     0    0.010   0.160     0.978  100.000   96.825
LGA    S    26_A      S    26_A     0.327     0    0.013   0.058     0.365  100.000  100.000
LGA    H    27_A      H    27_A     0.354     0    0.030   0.442     2.062  100.000   88.238
LGA    F    28_A      F    28_A     0.215     0    0.021   0.044     0.705  100.000   97.403
LGA    P    29_A      P    29_A     0.439     0    0.033   0.032     0.443  100.000  100.000
LGA    V    30_A      V    30_A     0.263     0    0.038   0.043     0.309  100.000  100.000
LGA    G    31_A      G    31_A     0.228     0    0.028   0.028     0.264  100.000  100.000
LGA    A    32_A      A    32_A     0.145     0    0.035   0.040     0.217  100.000  100.000
LGA    C    33_A      C    33_A     0.132     0    0.015   0.034     0.178  100.000  100.000
LGA    L    34_A      L    34_A     0.225     0    0.016   0.072     0.263  100.000  100.000
LGA    V    35_A      V    35_A     0.243     0    0.035   0.038     0.452  100.000  100.000
LGA    T    36_A      T    36_A     0.435     0    0.029   0.077     0.587   95.238   97.279
LGA    E    37_A      E    37_A     0.551     0    0.053   0.512     1.201   95.238   92.698
LGA    S    38_A      S    38_A     0.270     0    0.043   0.070     0.437  100.000  100.000
LGA    G    39_A      G    39_A     0.475     0    0.023   0.023     0.475  100.000  100.000
LGA    K    40_A      K    40_A     0.241     0    0.028   0.139     0.546  100.000   97.884
LGA    I    41_A      I    41_A     0.422     0    0.074   1.423     3.647  100.000   81.964
LGA    Y    42_A      Y    42_A     0.115     0    0.092   0.139     0.571  100.000   99.206
LGA    Q    43_A      Q    43_A     0.220     0    0.012   0.141     0.353  100.000  100.000
LGA    G    44_A      G    44_A     0.291     0    0.011   0.011     0.291  100.000  100.000
LGA    I    45_A      I    45_A     0.104     0    0.014   0.092     0.664  100.000   98.810
LGA    N    46_A      N    46_A     0.213     0    0.054   0.105     0.421  100.000  100.000
LGA    I    47_A      I    47_A     0.286     0    0.016   0.047     0.444  100.000  100.000
LGA    E    48_A      E    48_A     0.298     0    0.029   0.145     0.703  100.000   98.942
LGA    N    49_A      N    49_A     0.360     0    0.019   0.051     0.828  100.000   95.238
LGA    A    50_A      A    50_A     0.196     0    0.013   0.022     0.515   97.619   98.095
LGA    S    51_A      S    51_A     0.581     0    0.057   0.062     0.968   95.238   93.651
LGA    F    52_A      F    52_A     0.471     0    0.043   0.079     0.551   97.619   96.537
LGA    G    53_A      G    53_A     0.604     0    0.013   0.013     0.604   90.476   90.476
LGA    L    54_A      L    54_A     0.410     0    0.021   0.128     0.788  100.000   96.429
LGA    T    55_A      T    55_A     0.157     0    0.065   0.070     0.375  100.000  100.000
LGA    N    56_A      N    56_A     0.284     0    0.022   0.132     0.446  100.000  100.000
LGA    C    57_A      C    57_A     0.181     0    0.015   0.045     0.317  100.000  100.000
LGA    A    58_A      A    58_A     0.207     0    0.029   0.037     0.220  100.000  100.000
LGA    E    59_A      E    59_A     0.180     0    0.039   0.148     0.520  100.000   98.942
LGA    R    60_A      R    60_A     0.176     0    0.038   0.130     1.213  100.000   94.026
LGA    T    61_A      T    61_A     0.203     0    0.024   0.059     0.235  100.000  100.000
LGA    A    62_A      A    62_A     0.254     0    0.034   0.037     0.270  100.000  100.000
LGA    F    63_A      F    63_A     0.218     0    0.056   0.060     0.336  100.000  100.000
LGA    F    64_A      F    64_A     0.106     0    0.011   0.070     0.436  100.000  100.000
LGA    K    65_A      K    65_A     0.268     0    0.017   0.576     2.335  100.000   86.138
LGA    A    66_A      A    66_A     0.361     0    0.037   0.047     0.566   97.619   98.095
LGA    V    67_A      V    67_A     0.448     0    0.040   0.043     0.531   97.619   98.639
LGA    S    68_A      S    68_A     0.531     0    0.027   0.054     0.695   92.857   93.651
LGA    E    69_A      E    69_A     0.809     0    0.023   0.801     3.216   90.476   80.159
LGA    G    70_A      G    70_A     0.868     0    0.033   0.033     0.868   90.476   90.476
LGA    E    71_A      E    71_A     0.646     0    0.018   0.120     1.052   90.476   90.529
LGA    R    72_A      R    72_A     0.783     0    0.028   0.761     2.990   90.476   82.511
LGA    S    73_A      S    73_A     0.589     0    0.072   0.077     0.678   90.476   90.476
LGA    F    74_A      F    74_A     0.216     0    0.016   0.066     0.334  100.000  100.000
LGA    T    75_A      T    75_A     0.172     0    0.041   0.085     0.297  100.000  100.000
LGA    H    76_A      H    76_A     0.174     0    0.047   0.094     0.291  100.000  100.000
LGA    L    77_A      L    77_A     0.151     0    0.010   0.052     0.315  100.000  100.000
LGA    V    78_A      V    78_A     0.198     0    0.013   0.039     0.282  100.000  100.000
LGA    V    79_A      V    79_A     0.172     0    0.024   0.070     0.227  100.000  100.000
LGA    A    80_A      A    80_A     0.226     0    0.023   0.051     0.233  100.000  100.000
LGA    G    81_A      G    81_A     0.268     0    0.017   0.017     0.536   97.619   97.619
LGA    H    82_A      H    82_A     0.555     0    0.045   0.112     0.780   92.857   91.429
LGA    T    83_A      T    83_A     0.561     0    0.036   0.051     0.835   90.476   90.476
LGA    P    84_A      P    84_A     0.461     0    0.050   0.395     1.066  100.000   95.986
LGA    D    85_A      D    85_A     0.544     0    0.028   0.050     0.869   97.619   94.048
LGA    P    86_A      P    86_A     0.515     0    0.068   0.064     0.634   90.476   94.558
LGA    I    87_A      I    87_A     0.388     0    0.036   0.077     0.454  100.000  100.000
LGA    S    88_A      S    88_A     0.522     0    0.027   0.154     1.208   97.619   93.730
LGA    P    89_A      P    89_A     0.447     0    0.013   0.080     0.587  100.000   95.918
LGA    C    90_A      C    90_A     0.412     0    0.019   0.051     0.477  100.000  100.000
LGA    G    91_A      G    91_A     0.532     0    0.053   0.053     0.532   97.619   97.619
LGA    A    92_A      A    92_A     0.444     0    0.017   0.022     0.479  100.000  100.000
LGA    C    93_A      C    93_A     0.140     0    0.023   0.067     0.269  100.000  100.000
LGA    R    94_A      R    94_A     0.189     0    0.044   0.091     1.039  100.000   94.848
LGA    Q    95_A      Q    95_A     0.212     0    0.039   0.071     0.423  100.000  100.000
LGA    V    96_A      V    96_A     0.114     0    0.023   0.032     0.246  100.000  100.000
LGA    M    97_A      M    97_A     0.214     0    0.021   0.944     2.826  100.000   93.452
LGA    A    98_A      A    98_A     0.259     0    0.016   0.019     0.442  100.000  100.000
LGA    E    99_A      E    99_A     0.272     0    0.029   0.173     0.900  100.000   96.825
LGA    F   100_A      F   100_A     0.101     0    0.027   0.070     0.163  100.000  100.000
LGA    C   101_A      C   101_A     0.166     0    0.038   0.050     0.324  100.000  100.000
LGA    A   102_A      A   102_A     0.201     0    0.015   0.023     0.274  100.000  100.000
LGA    P   103_A      P   103_A     0.192     0    0.073   0.082     0.377  100.000  100.000
LGA    D   104_A      D   104_A     0.128     0    0.027   0.418     1.515  100.000   95.417
LGA    M   105_A      M   105_A     0.264     0    0.015   0.099     0.413  100.000  100.000
LGA    P   106_A      P   106_A     0.314     0    0.023   0.262     0.894  100.000   98.639
LGA    V   107_A      V   107_A     0.194     0    0.025   0.042     0.305  100.000  100.000
LGA    T   108_A      T   108_A     0.171     0    0.020   0.027     0.175  100.000  100.000
LGA    L   109_A      L   109_A     0.171     0    0.016   0.051     0.283  100.000  100.000
LGA    V   110_A      V   110_A     0.097     0    0.044   0.064     0.175  100.000  100.000
LGA    G   111_A      G   111_A     0.475     0    0.025   0.025     0.504   97.619   97.619
LGA    D   112_A      D   112_A     0.664     0    0.021   0.113     1.651   90.476   86.012
LGA    N   113_A      N   113_A     0.519     0    0.053   0.850     3.521   95.238   82.560
LGA    G   114_A      G   114_A     0.371     0    0.064   0.064     0.371  100.000  100.000
LGA    V   115_A      V   115_A     0.304     0    0.059   1.103     2.633   97.619   86.395
LGA    T   116_A      T   116_A     0.085     0    0.028   0.039     0.286  100.000  100.000
LGA    K   117_A      K   117_A     0.214     0    0.047   0.649     1.250  100.000   94.815
LGA    A   118_A      A   118_A     0.378     0    0.053   0.082     0.547  100.000   98.095
LGA    T   119_A      T   119_A     0.164     0    0.078   0.133     0.504   97.619   98.639
LGA    T   120_A      T   120_A     0.281     0    0.029   0.053     0.450  100.000  100.000
LGA    V   121_A      V   121_A     0.189     0    0.013   0.051     0.274  100.000  100.000
LGA    R   122_A      R   122_A     0.252     0    0.015   1.107     3.776  100.000   86.710
LGA    E   123_A      E   123_A     0.280     0    0.012   0.411     1.427  100.000   96.878
LGA    L   124_A      L   124_A     0.180     0    0.054   0.059     0.481  100.000  100.000
LGA    L   125_A      L   125_A     0.139     0    0.018   0.075     0.507  100.000   98.810
LGA    P   126_A      P   126_A     0.164     0    0.039   0.348     1.051  100.000   97.347
LGA    Y   127_A      Y   127_A     0.453     0    0.058   1.305     8.047  100.000   63.770
LGA    A   128_A      A   128_A     0.537     0    0.019   0.026     0.639   95.238   94.286
LGA    F   129_A      F   129_A     0.307     0    0.010   0.097     0.602  100.000   97.403
LGA    T   130_A      T   130_A     0.233     0    0.020   0.157     1.297   95.238   90.612
LGA    E   131_A      E   131_A     1.495     0    0.126   0.891     3.747   79.405   67.513
LGA    K   132_A      K   132_A     1.962     0    0.103   0.606     5.251   61.548   50.529
LGA    D   133_A      D   133_A     3.347     0    0.012   0.304     5.608   50.119   41.012
LGA    L   134_A      L   134_A     2.579     0    0.625   1.035     3.477   53.571   60.179

# 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):     1.370          1.347                  1.730           93.993   91.598

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  133    4.0    129    0.74    96.053    97.118    15.390

LGA_LOCAL      RMSD:   0.738  Number of atoms:  129  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.402  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   1.370  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.806151 * X  +  -0.221170 * Y  +  -0.548821 * Z  + -30.264122
  Y_new =   0.363975 * X  +  -0.916634 * Y  +  -0.165239 * Z  +  25.394979
  Z_new =  -0.466522 * X  +  -0.332964 * Y  +   0.819446 * Z  + -12.991508 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.717494  0.485354 -0.385950   [DEG:  155.7010   27.8088  -22.1133 ]
ZXZ: -1.278349  0.610352 -2.190669   [DEG:  -73.2440   34.9706 -125.5161 ]
 
# END of job
