
#######################################################
#                                                     #
#                        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  237 ( 1829),  selected  213 , name one
# Molecule2: number of CA atoms  213 ( 1696),  selected  213 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   153       1_A - 177_A       4.92    22.46
  LCS_AVERAGE:     60.06

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   149       1_A - 149_A       0.80    23.10
  LCS_AVERAGE:     57.96

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   149       1_A - 149_A       0.80    23.10
  LCS_AVERAGE:     56.22

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  213
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     S     1_B     S     1_A    149  149  153     37  123  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     M     2_B     M     2_A    149  149  153     37  127  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A     3_B     A     3_A    149  149  153     66  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L     4_B     L     4_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     K     5_B     K     5_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     R     6_B     R     6_A    149  149  153     71  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I     7_B     I     7_A    149  149  153     76  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     H     8_B     H     8_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     K     9_B     K     9_A    149  149  153     64  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     E    10_B     E    10_A    149  149  153     42  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L    11_B     L    11_A    149  149  153     76  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     N    12_B     N    12_A    149  149  153     64  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D    13_B     D    13_A    149  149  153     45  127  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L    14_B     L    14_A    149  149  153     50  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A    15_B     A    15_A    149  149  153     64  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     R    16_B     R    16_A    149  149  153     31  104  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D    17_B     D    17_A    149  149  153     26   99  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    18_B     P    18_A    149  149  153     17   56  116  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    19_B     P    19_A    149  149  153      4   39   96  144  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A    20_B     A    20_A    149  149  153      4   33   69  130  147  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Q    21_B     Q    21_A    149  149  153      4   77  142  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     C    22_B     C    22_A    149  149  153     72  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S    23_B     S    23_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A    24_B     A    24_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     G    25_B     G    25_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    26_B     P    26_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     V    27_B     V    27_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     G    28_B     G    28_A    149  149  153     30  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D    29_B     D    29_A    149  149  153     74  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D    30_B     D    30_A    149  149  153     74  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     M    31_B     M    31_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     F    32_B     F    32_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     H    33_B     H    33_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     W    34_B     W    34_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Q    35_B     Q    35_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A    36_B     A    36_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     T    37_B     T    37_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I    38_B     I    38_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     M    39_B     M    39_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     G    40_B     G    40_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    41_B     P    41_A    149  149  153     78  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     N    42_B     N    42_A    149  149  153     60  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D    43_B     D    43_A    149  149  153     44   92  139  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S    44_B     S    44_A    149  149  153     65  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    45_B     P    45_A    149  149  153     76  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Y    46_B     Y    46_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Q    47_B     Q    47_A    149  149  153     80  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     G    48_B     G    48_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     G    49_B     G    49_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     V    50_B     V    50_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     F    51_B     F    51_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     F    52_B     F    52_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L    53_B     L    53_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     T    54_B     T    54_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I    55_B     I    55_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     H    56_B     H    56_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     F    57_B     F    57_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    58_B     P    58_A    149  149  153     80  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     T    59_B     T    59_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D    60_B     D    60_A    149  149  153     71  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Y    61_B     Y    61_A    149  149  153     80  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    62_B     P    62_A    149  149  153     76  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     F    63_B     F    63_A    149  149  153     64  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     K    64_B     K    64_A    149  149  153     76  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    65_B     P    65_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    66_B     P    66_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     K    67_B     K    67_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     V    68_B     V    68_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A    69_B     A    69_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     F    70_B     F    70_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     T    71_B     T    71_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     T    72_B     T    72_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     R    73_B     R    73_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I    74_B     I    74_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Y    75_B     Y    75_A    149  149  153     79  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     H    76_B     H    76_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    77_B     P    77_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     N    78_B     N    78_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I    79_B     I    79_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     N    80_B     N    80_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S    81_B     S    81_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     N    82_B     N    82_A    149  149  153     78  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     G    83_B     G    83_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S    84_B     S    84_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I    85_B     I    85_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     C    86_B     C    86_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L    87_B     L    87_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D    88_B     D    88_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I    89_B     I    89_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L    90_B     L    90_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     R    91_B     R    91_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S    92_B     S    92_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Q    93_B     Q    93_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     W    94_B     W    94_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S    95_B     S    95_A    149  149  153     81  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P    96_B     P    96_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A    97_B     A    97_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L    98_B     L    98_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     T    99_B     T    99_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I   100_B     I   100_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S   101_B     S   101_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     K   102_B     K   102_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     V   103_B     V   103_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L   104_B     L   104_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L   105_B     L   105_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S   106_B     S   106_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I   107_B     I   107_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     C   108_B     C   108_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     S   109_B     S   109_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L   110_B     L   110_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L   111_B     L   111_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     C   112_B     C   112_A    149  149  153     78  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D   113_B     D   113_A    149  149  153     78  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P   114_B     P   114_A    149  149  153     78  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     N   115_B     N   115_A    149  149  153     76  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P   116_B     P   116_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D   117_B     D   117_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D   118_B     D   118_A    149  149  153     81  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P   119_B     P   119_A    149  149  153     71  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     L   120_B     L   120_A    149  149  153     73  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     V   121_B     V   121_A    149  149  153     65  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     P   122_B     P   122_A    149  149  153     63  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     E   123_B     E   123_A    149  149  153     78  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I   124_B     I   124_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A   125_B     A   125_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     R   126_B     R   126_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I   127_B     I   127_A    149  149  153     78  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Y   128_B     Y   128_A    149  149  153     78  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     K   129_B     K   129_A    149  149  153     75  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     T   130_B     T   130_A    149  149  153     75  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     D   131_B     D   131_A    149  149  153     62  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     R   132_B     R   132_A    149  149  153     56  127  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     E   133_B     E   133_A    149  149  153     47  101  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     K   134_B     K   134_A    149  149  153     47  108  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Y   135_B     Y   135_A    149  149  153     65  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     N   136_B     N   136_A    149  149  153     65  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     R   137_B     R   137_A    149  149  153     65  130  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     I   138_B     I   138_A    149  149  153     64  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A   139_B     A   139_A    149  149  153     78  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     R   140_B     R   140_A    149  149  153     78  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     E   141_B     E   141_A    149  149  153     78  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     W   142_B     W   142_A    149  149  153     78  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     T   143_B     T   143_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Q   144_B     Q   144_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     K   145_B     K   145_A    149  149  153     78  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     Y   146_B     Y   146_A    149  149  153     81  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     A   147_B     A   147_A    149  149  153     82  133  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     M   148_B     M   148_A    149  149  153     49  128  143  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     G   149_B     G   149_A    149  149  153      0   35  139  146  148  149  149  149  149  149  149  149  149  149  149  149  149  149  149  149 
LCS_GDT     V   174_B     V   174_A     21   64  153     10   18   24   31   43   53   64   64   64   64   64   64   64   64   64   64   67   88   97  100 
LCS_GDT     N   175_B     N   175_A     21   64  153     17   18   26   41   61   63   64   64   64   64   64   64   64   64   67   75   80   88   97  100 
LCS_GDT     A   176_B     A   176_A     21   64  153     17   18   26   50   61   63   64   64   64   64   64   64   64   64   66   75   80   88   97  102 
LCS_GDT     D   177_B     D   177_A     21   64  153     17   18   26   41   59   63   64   64   64   64   64   64   64   64   64   65   71   81   90   96 
LCS_GDT     V   178_B     V   178_A     21   64   64     17   18   26   41   61   63   64   64   64   64   64   64   64   64   66   72   80   86   97  102 
LCS_GDT     Q   179_B     Q   179_A     21   64   64     17   22   46   55   61   63   64   64   64   64   64   64   64   73   82   93   99  110  117  124 
LCS_GDT     K   180_B     K   180_A     21   64   64     17   18   31   53   61   63   64   64   64   64   64   64   64   64   64   64   64   81   90   97 
LCS_GDT     L   181_B     L   181_A     21   64   64     17   18   31   53   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   87 
LCS_GDT     Q   182_B     Q   182_A     56   64   64     17   24   47   55   61   63   64   64   64   64   64   64   64   66   75   88   97  106  117  124 
LCS_GDT     Q   183_B     Q   183_A     56   64   64     17   33   50   55   61   63   64   64   64   64   64   64   64   64   64   74   85   97  111  121 
LCS_GDT     Q   184_B     Q   184_A     56   64   64     17   20   47   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   66 
LCS_GDT     L   185_B     L   185_A     56   64   64     17   31   50   55   61   63   64   64   64   64   64   64   64   64   64   64   64   68   87  101 
LCS_GDT     Q   186_B     Q   186_A     56   64   64     19   45   52   55   61   63   64   64   64   64   64   64   64   64   64   64   71   87  100  116 
LCS_GDT     D   187_B     D   187_A     56   64   64     17   43   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   66   74   91 
LCS_GDT     I   188_B     I   188_A     56   64   64     20   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   66 
LCS_GDT     K   189_B     K   189_A     56   64   64     17   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   66   76   91 
LCS_GDT     E   190_B     E   190_A     56   64   64     19   48   52   55   59   63   64   64   64   64   64   64   64   64   64   64   64   64   64   71 
LCS_GDT     Q   191_B     Q   191_A     56   64   64     14   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     T   192_B     T   192_A     56   64   64     34   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     M   193_B     M   193_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   66 
LCS_GDT     C   194_B     C   194_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     P   195_B     P   195_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     V   196_B     V   196_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     C   197_B     C   197_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     L   198_B     L   198_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     D   199_B     D   199_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   69 
LCS_GDT     R   200_B     R   200_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   70 
LCS_GDT     L   201_B     L   201_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   66 
LCS_GDT     K   202_B     K   202_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     N   203_B     N   203_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     M   204_B     M   204_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     I   205_B     I   205_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     F   206_B     F   206_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     L   207_B     L   207_A     56   64   64     23   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     C   208_B     C   208_A     56   64   64     19   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     G   209_B     G   209_A     56   64   64     19   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     H   210_B     H   210_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     G   211_B     G   211_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     T   212_B     T   212_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     C   213_B     C   213_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     Q   214_B     Q   214_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     L   215_B     L   215_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     C   216_B     C   216_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     G   217_B     G   217_A     56   64   64     34   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     D   218_B     D   218_A     56   64   64     34   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     R   219_B     R   219_A     56   64   64     34   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     M   220_B     M   220_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     S   221_B     S   221_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     E   222_B     E   222_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     C   223_B     C   223_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     P   224_B     P   224_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     I   225_B     I   225_A     56   64   64     24   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     C   226_B     C   226_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     R   227_B     R   227_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     K   228_B     K   228_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     A   229_B     A   229_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     I   230_B     I   230_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     E   231_B     E   231_A     56   64   64     32   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     R   232_B     R   232_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     R   233_B     R   233_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     I   234_B     I   234_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     L   235_B     L   235_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     L   236_B     L   236_A     56   64   64     36   48   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_GDT     Y   237_B     Y   237_A     56   64   64     19   37   52   55   61   63   64   64   64   64   64   64   64   64   64   64   64   64   64   64 
LCS_AVERAGE  LCS_A:  58.08  (  56.22   57.96   60.06 )

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     82    133    143    146    148    149    149    149    149    149    149    149    149    149    149    149    149    149    149    149 
GDT PERCENT_AT  38.50  62.44  67.14  68.54  69.48  69.95  69.95  69.95  69.95  69.95  69.95  69.95  69.95  69.95  69.95  69.95  69.95  69.95  69.95  69.95
GDT RMS_LOCAL    0.33   0.55   0.65   0.70   0.75   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80   0.80
GDT RMS_ALL_AT  23.10  23.07  23.08  23.06  23.09  23.10  23.10  23.10  23.10  23.10  23.10  23.10  23.10  23.10  23.10  23.10  23.10  23.10  23.10  23.10

# Checking swapping
#   possible swapping detected:  E    10_B      E    10_A
#   possible swapping detected:  F    32_B      F    32_A
#   possible swapping detected:  F    51_B      F    51_A
#   possible swapping detected:  F    52_B      F    52_A
#   possible swapping detected:  Y    61_B      Y    61_A
#   possible swapping detected:  F    70_B      F    70_A
#   possible swapping detected:  Y    75_B      Y    75_A
#   possible swapping detected:  E   123_B      E   123_A
#   possible swapping detected:  Y   128_B      Y   128_A
#   possible swapping detected:  E   133_B      E   133_A
#   possible swapping detected:  Y   135_B      Y   135_A
#   possible swapping detected:  E   141_B      E   141_A
#   possible swapping detected:  E   222_B      E   222_A
#   possible swapping detected:  E   231_B      E   231_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    S     1_B      S     1_A     1.343     0    0.038   0.102     1.434   81.429   81.429
LGA    M     2_B      M     2_A     1.233     0    0.019   1.228     3.921   81.429   71.667
LGA    A     3_B      A     3_A     0.812     0    0.043   0.046     0.923   90.476   90.476
LGA    L     4_B      L     4_A     0.528     0    0.017   0.068     0.670   95.238   95.238
LGA    K     5_B      K     5_A     0.447     0    0.042   0.612     1.590   97.619   91.746
LGA    R     6_B      R     6_A     0.711     0    0.053   0.188     1.076   90.476   89.654
LGA    I     7_B      I     7_A     0.526     0    0.027   0.047     0.577   95.238   94.048
LGA    H     8_B      H     8_A     0.351     0    0.017   0.219     0.615  100.000   98.095
LGA    K     9_B      K     9_A     0.592     0    0.022   0.878     5.264   92.857   78.042
LGA    E    10_B      E    10_A     0.928     0    0.042   0.686     1.453   90.476   87.460
LGA    L    11_B      L    11_A     0.443     0    0.013   0.073     0.576   97.619   98.810
LGA    N    12_B      N    12_A     0.657     0    0.033   0.142     0.864   90.476   91.667
LGA    D    13_B      D    13_A     1.096     0    0.051   0.158     1.658   88.214   83.750
LGA    L    14_B      L    14_A     0.753     0    0.041   0.079     0.864   90.476   90.476
LGA    A    15_B      A    15_A     0.616     0    0.096   0.092     0.850   90.476   90.476
LGA    R    16_B      R    16_A     1.537     0    0.099   1.346     3.656   79.286   69.827
LGA    D    17_B      D    17_A     1.570     0    0.044   0.213     1.771   72.857   76.071
LGA    P    18_B      P    18_A     2.135     0    0.042   0.040     2.338   66.786   65.918
LGA    P    19_B      P    19_A     2.692     0    0.129   0.333     3.487   55.476   58.367
LGA    A    20_B      A    20_A     3.399     0    0.620   0.591     5.918   41.190   41.619
LGA    Q    21_B      Q    21_A     1.709     0    0.243   0.582     2.877   68.929   69.365
LGA    C    22_B      C    22_A     0.501     0    0.063   0.182     0.876   92.857   92.063
LGA    S    23_B      S    23_A     0.383     0    0.027   0.570     1.911  100.000   95.476
LGA    A    24_B      A    24_A     0.214     0    0.025   0.042     0.278  100.000  100.000
LGA    G    25_B      G    25_A     0.332     0    0.029   0.029     0.332  100.000  100.000
LGA    P    26_B      P    26_A     0.182     0    0.024   0.319     1.260  100.000   97.347
LGA    V    27_B      V    27_A     0.384     0    0.590   0.911     3.143   85.119   80.340
LGA    G    28_B      G    28_A     0.910     0    0.100   0.100     1.243   88.214   88.214
LGA    D    29_B      D    29_A     0.767     0    0.018   0.215     1.422   90.476   88.214
LGA    D    30_B      D    30_A     0.771     0    0.081   0.185     0.905   92.857   91.667
LGA    M    31_B      M    31_A     0.357     0    0.019   0.164     0.579   97.619   98.810
LGA    F    32_B      F    32_A     0.415     0    0.044   0.043     0.655  100.000   93.939
LGA    H    33_B      H    33_A     0.403     0    0.035   0.086     0.512  100.000   98.095
LGA    W    34_B      W    34_A     0.219     0    0.021   0.048     0.486  100.000  100.000
LGA    Q    35_B      Q    35_A     0.295     0    0.028   0.294     1.004  100.000   95.820
LGA    A    36_B      A    36_A     0.329     0    0.037   0.045     0.377  100.000  100.000
LGA    T    37_B      T    37_A     0.334     0    0.016   0.307     0.863  100.000   97.279
LGA    I    38_B      I    38_A     0.253     0    0.031   0.099     0.507  100.000   98.810
LGA    M    39_B      M    39_A     0.321     0    0.038   0.723     2.680  100.000   90.238
LGA    G    40_B      G    40_A     0.172     0    0.020   0.020     0.524   97.619   97.619
LGA    P    41_B      P    41_A     0.595     0    0.028   0.051     0.674   92.857   93.197
LGA    N    42_B      N    42_A     0.726     0    0.642   0.622     2.443   84.048   82.798
LGA    D    43_B      D    43_A     1.889     0    0.032   0.915     3.550   75.119   64.464
LGA    S    44_B      S    44_A     0.921     0    0.061   0.109     1.202   88.214   88.968
LGA    P    45_B      P    45_A     0.699     0    0.018   0.036     0.699   90.476   91.837
LGA    Y    46_B      Y    46_A     0.165     0    0.054   0.110     0.372  100.000  100.000
LGA    Q    47_B      Q    47_A     0.350     0    0.011   0.983     2.153  100.000   92.011
LGA    G    48_B      G    48_A     0.345     0    0.058   0.058     0.345  100.000  100.000
LGA    G    49_B      G    49_A     0.108     0    0.048   0.048     0.247  100.000  100.000
LGA    V    50_B      V    50_A     0.362     0    0.084   0.098     0.584  100.000   97.279
LGA    F    51_B      F    51_A     0.392     0    0.041   0.107     0.462  100.000  100.000
LGA    F    52_B      F    52_A     0.270     0    0.085   0.263     1.064  100.000   96.580
LGA    L    53_B      L    53_A     0.425     0    0.029   0.074     0.509  100.000   98.810
LGA    T    54_B      T    54_A     0.413     0    0.020   1.053     2.359  100.000   89.932
LGA    I    55_B      I    55_A     0.312     0    0.070   0.077     0.601   97.619   98.810
LGA    H    56_B      H    56_A     0.209     0    0.013   1.383     6.085  100.000   72.333
LGA    F    57_B      F    57_A     0.229     0    0.013   0.131     0.526   97.619   99.134
LGA    P    58_B      P    58_A     0.502     0    0.020   0.091     0.683   97.619   95.918
LGA    T    59_B      T    59_A     0.494     0    0.032   0.210     1.223   92.857   90.544
LGA    D    60_B      D    60_A     0.715     0    0.148   0.356     1.793   90.476   86.012
LGA    Y    61_B      Y    61_A     0.534     0    0.077   0.123     0.731   90.476   95.238
LGA    P    62_B      P    62_A     0.648     0    0.024   0.042     0.804   90.476   90.476
LGA    F    63_B      F    63_A     0.822     0    0.039   0.100     1.227   90.476   87.186
LGA    K    64_B      K    64_A     0.577     0    0.007   0.678     1.323   95.238   89.577
LGA    P    65_B      P    65_A     0.361     0    0.024   0.030     0.427  100.000  100.000
LGA    P    66_B      P    66_A     0.365     0    0.028   0.055     0.506  100.000   98.639
LGA    K    67_B      K    67_A     0.183     0    0.019   0.689     2.042  100.000   86.138
LGA    V    68_B      V    68_A     0.299     0    0.013   0.043     0.416  100.000  100.000
LGA    A    69_B      A    69_A     0.323     0    0.057   0.069     0.323  100.000  100.000
LGA    F    70_B      F    70_A     0.321     0    0.065   0.060     0.456  100.000  100.000
LGA    T    71_B      T    71_A     0.380     0    0.126   0.143     0.895  100.000   97.279
LGA    T    72_B      T    72_A     0.292     0    0.031   0.042     0.471  100.000  100.000
LGA    R    73_B      R    73_A     0.273     0    0.047   1.399     6.189  100.000   72.294
LGA    I    74_B      I    74_A     0.173     0    0.016   0.078     0.281  100.000  100.000
LGA    Y    75_B      Y    75_A     0.270     0    0.013   0.036     0.819  100.000   94.444
LGA    H    76_B      H    76_A     0.262     0    0.012   0.046     0.457  100.000  100.000
LGA    P    77_B      P    77_A     0.376     0    0.073   0.081     0.404  100.000  100.000
LGA    N    78_B      N    78_A     0.688     0    0.029   0.069     0.939   90.476   90.476
LGA    I    79_B      I    79_A     0.586     0    0.015   0.112     0.614   92.857   91.667
LGA    N    80_B      N    80_A     0.661     0    0.039   0.044     1.052   90.476   89.345
LGA    S    81_B      S    81_A     0.607     0    0.023   0.109     1.204   90.476   88.968
LGA    N    82_B      N    82_A     0.795     0    0.011   0.122     1.446   90.476   87.083
LGA    G    83_B      G    83_A     0.672     0    0.023   0.023     0.719   90.476   90.476
LGA    S    84_B      S    84_A     0.748     0    0.031   0.202     0.756   90.476   92.063
LGA    I    85_B      I    85_A     0.653     0    0.018   0.064     0.847   90.476   90.476
LGA    C    86_B      C    86_A     0.717     0    0.034   0.233     1.015   90.476   88.968
LGA    L    87_B      L    87_A     0.661     0    0.020   0.103     0.845   90.476   90.476
LGA    D    88_B      D    88_A     0.607     0    0.018   1.182     4.274   90.476   76.429
LGA    I    89_B      I    89_A     0.725     0    0.069   1.604     3.728   90.476   77.083
LGA    L    90_B      L    90_A     0.659     0    0.053   0.079     1.108   92.857   90.536
LGA    R    91_B      R    91_A     0.499     0    0.097   0.735     4.266   97.619   67.229
LGA    S    92_B      S    92_A     0.337     0    0.091   0.154     0.504   97.619   98.413
LGA    Q    93_B      Q    93_A     0.668     0    0.027   1.241     4.111   90.476   80.635
LGA    W    94_B      W    94_A     0.467     0    0.054   0.095     0.749   95.238   94.558
LGA    S    95_B      S    95_A     0.639     0    0.050   0.059     0.750   90.476   90.476
LGA    P    96_B      P    96_A     0.690     0    0.025   0.029     0.935   90.476   90.476
LGA    A    97_B      A    97_A     0.402     0    0.046   0.067     0.566   97.619   96.190
LGA    L    98_B      L    98_A     0.213     0    0.051   0.135     0.780  100.000   96.429
LGA    T    99_B      T    99_A     0.575     0    0.029   0.061     0.699   95.238   93.197
LGA    I   100_B      I   100_A     0.533     0    0.031   0.091     0.788   95.238   94.048
LGA    S   101_B      S   101_A     0.462     0    0.029   0.038     0.488  100.000  100.000
LGA    K   102_B      K   102_A     0.352     0    0.025   1.012     4.643  100.000   84.392
LGA    V   103_B      V   103_A     0.337     0    0.044   0.055     0.429  100.000  100.000
LGA    L   104_B      L   104_A     0.337     0    0.042   0.059     0.346  100.000  100.000
LGA    L   105_B      L   105_A     0.367     0    0.016   0.070     0.543  100.000   98.810
LGA    S   106_B      S   106_A     0.338     0    0.012   0.690     1.920  100.000   95.476
LGA    I   107_B      I   107_A     0.320     0    0.033   0.120     0.563  100.000   98.810
LGA    C   108_B      C   108_A     0.478     0    0.035   0.077     0.526  100.000   98.413
LGA    S   109_B      S   109_A     0.452     0    0.014   0.082     0.602   95.238   96.825
LGA    L   110_B      L   110_A     0.503     0    0.021   0.054     0.691   95.238   94.048
LGA    L   111_B      L   111_A     0.569     0    0.030   0.199     0.830   90.476   91.667
LGA    C   112_B      C   112_A     0.720     0    0.059   0.097     0.776   90.476   92.063
LGA    D   113_B      D   113_A     0.734     0    0.037   0.369     1.106   90.476   88.214
LGA    P   114_B      P   114_A     0.706     0    0.065   0.088     0.776   90.476   90.476
LGA    N   115_B      N   115_A     0.803     0    0.043   1.009     3.178   90.476   79.048
LGA    P   116_B      P   116_A     0.708     0    0.035   0.112     0.986   90.476   90.476
LGA    D   117_B      D   117_A     1.049     0    0.127   0.221     1.719   85.952   82.619
LGA    D   118_B      D   118_A     1.056     0    0.043   0.175     1.127   81.429   85.952
LGA    P   119_B      P   119_A     1.026     0    0.066   0.324     1.356   85.952   85.306
LGA    L   120_B      L   120_A     0.914     0    0.024   0.198     1.435   85.952   84.821
LGA    V   121_B      V   121_A     0.933     0    0.062   0.064     0.944   90.476   90.476
LGA    P   122_B      P   122_A     1.007     0    0.016   0.031     1.477   85.952   84.014
LGA    E   123_B      E   123_A     0.707     0    0.042   0.121     0.919   92.857   92.593
LGA    I   124_B      I   124_A     0.263     0    0.015   0.066     0.461  100.000  100.000
LGA    A   125_B      A   125_A     0.387     0    0.030   0.037     0.479  100.000  100.000
LGA    R   126_B      R   126_A     0.300     0    0.073   1.551     6.437  100.000   76.667
LGA    I   127_B      I   127_A     0.289     0    0.013   0.711     2.737  100.000   92.262
LGA    Y   128_B      Y   128_A     0.417     0    0.047   0.105     0.643   95.238   94.444
LGA    K   129_B      K   129_A     0.635     0    0.070   0.628     1.739   88.214   85.556
LGA    T   130_B      T   130_A     0.524     0    0.094   0.121     1.310   90.595   93.265
LGA    D   131_B      D   131_A     1.009     0    0.029   0.096     1.910   83.690   79.345
LGA    R   132_B      R   132_A     1.184     0    0.045   0.384     2.042   81.429   78.355
LGA    E   133_B      E   133_A     1.598     0    0.026   0.674     1.801   75.000   81.693
LGA    K   134_B      K   134_A     1.429     0    0.040   1.188     7.152   79.286   62.910
LGA    Y   135_B      Y   135_A     0.842     0    0.050   0.102     1.054   88.214   89.722
LGA    N   136_B      N   136_A     0.908     0    0.020   0.087     1.004   90.476   89.345
LGA    R   137_B      R   137_A     1.132     0    0.041   1.653     9.997   83.690   48.312
LGA    I   138_B      I   138_A     1.028     0    0.031   0.108     1.374   85.952   84.821
LGA    A   139_B      A   139_A     0.597     0    0.020   0.022     0.794   92.857   92.381
LGA    R   140_B      R   140_A     0.637     0    0.023   0.718     2.241   90.476   85.714
LGA    E   141_B      E   141_A     0.796     0    0.012   0.054     1.174   90.476   86.455
LGA    W   142_B      W   142_A     0.585     0    0.049   0.109     1.253   95.238   90.578
LGA    T   143_B      T   143_A     0.293     0    0.031   0.065     0.441  100.000  100.000
LGA    Q   144_B      Q   144_A     0.340     0    0.104   0.817     4.244   95.238   80.159
LGA    K   145_B      K   145_A     0.623     0    0.053   0.365     1.657   90.476   87.513
LGA    Y   146_B      Y   146_A     0.484     0    0.019   0.139     0.553   95.238   96.825
LGA    A   147_B      A   147_A     0.395     0    0.179   0.187     0.496  100.000  100.000
LGA    M   148_B      M   148_A     1.157     0    0.615   1.077     3.257   73.690   76.488
LGA    G   149_B      G   149_A     1.979     0    0.435   0.435     3.568   63.452   63.452
LGA    V   174_B      V   174_A    34.838     0    0.112   1.017    37.033    0.000    0.000
LGA    N   175_B      N   175_A    32.161     0    0.049   0.683    33.145    0.000    0.000
LGA    A   176_B      A   176_A    32.013     0    0.023   0.033    32.805    0.000    0.000
LGA    D   177_B      D   177_A    33.014     0    0.053   0.240    36.368    0.000    0.000
LGA    V   178_B      V   178_A    30.755     0    0.034   0.070    31.546    0.000    0.000
LGA    Q   179_B      Q   179_A    29.404     0    0.179   0.866    32.268    0.000    0.000
LGA    K   180_B      K   180_A    31.189     0    0.006   0.056    36.510    0.000    0.000
LGA    L   181_B      L   181_A    30.948     0    0.034   0.275    32.853    0.000    0.000
LGA    Q   182_B      Q   182_A    28.863     0    0.019   0.261    29.393    0.000    0.000
LGA    Q   183_B      Q   183_A    29.571     0    0.057   1.059    31.358    0.000    0.000
LGA    Q   184_B      Q   184_A    31.376     0    0.027   0.148    34.435    0.000    0.000
LGA    L   185_B      L   185_A    29.999     0    0.013   0.067    30.373    0.000    0.000
LGA    Q   186_B      Q   186_A    29.762     0    0.044   0.897    30.702    0.000    0.000
LGA    D   187_B      D   187_A    31.732     0    0.149   1.232    35.363    0.000    0.000
LGA    I   188_B      I   188_A    32.316     0    0.016   0.181    33.132    0.000    0.000
LGA    K   189_B      K   189_A    31.374     0    0.049   0.843    33.171    0.000    0.000
LGA    E   190_B      E   190_A    32.910     0    0.063   1.045    34.414    0.000    0.000
LGA    Q   191_B      Q   191_A    35.222     0    0.009   0.389    36.353    0.000    0.000
LGA    T   192_B      T   192_A    35.033     0    0.088   0.200    35.933    0.000    0.000
LGA    M   193_B      M   193_A    35.500     0    0.034   0.637    37.146    0.000    0.000
LGA    C   194_B      C   194_A    38.447     0    0.080   0.093    40.008    0.000    0.000
LGA    P   195_B      P   195_A    39.943     0    0.013   0.052    41.387    0.000    0.000
LGA    V   196_B      V   196_A    41.553     0    0.036   0.059    43.298    0.000    0.000
LGA    C   197_B      C   197_A    39.167     0    0.060   0.123    39.925    0.000    0.000
LGA    L   198_B      L   198_A    36.497     0    0.077   0.694    38.826    0.000    0.000
LGA    D   199_B      D   199_A    34.984     0    0.027   0.328    35.765    0.000    0.000
LGA    R   200_B      R   200_A    35.330     0    0.061   0.190    39.273    0.000    0.000
LGA    L   201_B      L   201_A    35.412     0    0.035   0.261    37.419    0.000    0.000
LGA    K   202_B      K   202_A    38.450     0    0.035   0.581    39.822    0.000    0.000
LGA    N   203_B      N   203_A    39.472     0    0.057   0.103    41.285    0.000    0.000
LGA    M   204_B      M   204_A    43.202     0    0.033   0.785    47.094    0.000    0.000
LGA    I   205_B      I   205_A    45.336     0    0.031   0.097    47.544    0.000    0.000
LGA    F   206_B      F   206_A    49.066     0    0.021   0.152    49.681    0.000    0.000
LGA    L   207_B      L   207_A    52.096     0    0.029   0.141    55.742    0.000    0.000
LGA    C   208_B      C   208_A    50.942     0    0.514   0.549    51.617    0.000    0.000
LGA    G   209_B      G   209_A    47.283     0    0.067   0.067    48.961    0.000    0.000
LGA    H   210_B      H   210_A    45.409     0    0.115   0.189    47.279    0.000    0.000
LGA    G   211_B      G   211_A    43.433     0    0.020   0.020    43.809    0.000    0.000
LGA    T   212_B      T   212_A    41.833     0    0.022   0.104    44.008    0.000    0.000
LGA    C   213_B      C   213_A    40.012     0    0.044   0.093    42.386    0.000    0.000
LGA    Q   214_B      Q   214_A    42.089     0    0.105   0.184    43.981    0.000    0.000
LGA    L   215_B      L   215_A    42.171     0    0.099   1.300    44.373    0.000    0.000
LGA    C   216_B      C   216_A    43.494     0    0.035   0.128    45.889    0.000    0.000
LGA    G   217_B      G   217_A    45.752     0    0.049   0.049    47.810    0.000    0.000
LGA    D   218_B      D   218_A    47.405     0    0.069   0.093    49.352    0.000    0.000
LGA    R   219_B      R   219_A    48.712     0    0.059   1.136    50.195    0.000    0.000
LGA    M   220_B      M   220_A    50.689     0    0.043   0.577    51.748    0.000    0.000
LGA    S   221_B      S   221_A    54.140     0    0.009   0.068    56.037    0.000    0.000
LGA    E   222_B      E   222_A    53.310     0    0.030   0.763    56.036    0.000    0.000
LGA    C   223_B      C   223_A    49.787     0    0.043   0.076    51.281    0.000    0.000
LGA    P   224_B      P   224_A    47.454     0    0.062   0.098    47.945    0.000    0.000
LGA    I   225_B      I   225_A    46.163     0    0.023   0.435    47.508    0.000    0.000
LGA    C   226_B      C   226_A    49.788     0    0.057   0.060    52.187    0.000    0.000
LGA    R   227_B      R   227_A    52.608     0    0.071   0.918    55.523    0.000    0.000
LGA    K   228_B      K   228_A    54.610     0    0.040   0.510    55.331    0.000    0.000
LGA    A   229_B      A   229_A    56.224     0    0.015   0.020    57.822    0.000    0.000
LGA    I   230_B      I   230_A    53.826     0    0.041   0.082    55.401    0.000    0.000
LGA    E   231_B      E   231_A    56.330     0    0.019   0.133    60.361    0.000    0.000
LGA    R   232_B      R   232_A    53.320     0    0.018   0.350    54.617    0.000    0.000
LGA    R   233_B      R   233_A    49.499     0    0.069   1.063    52.090    0.000    0.000
LGA    I   234_B      I   234_A    47.605     0    0.053   1.127    49.888    0.000    0.000
LGA    L   235_B      L   235_A    44.012     0    0.042   0.327    45.579    0.000    0.000
LGA    L   236_B      L   236_A    41.328     0    0.096   0.204    42.459    0.000    0.000
LGA    Y   237_B      Y   237_A    39.347     0    0.115   0.207    43.586    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      213     852    852  100.00    1696   1696  100.00               213
SUMMARY(RMSD_GDC):    17.614         17.594                 17.787           64.681   62.603

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  237  213    4.0    149    0.80    67.723    66.023    16.581

LGA_LOCAL      RMSD:   0.799  Number of atoms:  149  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  23.104  Number of assigned atoms:  213 
Std_ASGN_ATOMS RMSD:  17.614  Standard rmsd on all 213 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.863081 * X  +   0.471387 * Y  +   0.181343 * Z  +   9.405597
  Y_new =   0.500673 * X  +  -0.845776 * Y  +  -0.184364 * Z  +   2.862337
  Z_new =   0.066468 * X  +   0.249915 * Y  +  -0.965984 * Z  +  63.858555 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.525658 -0.066517  2.888428   [DEG:   30.1180   -3.8112  165.4948 ]
ZXZ:  0.777137  2.880017  0.259947   [DEG:   44.5266  165.0128   14.8938 ]
 
# END of job
