
#######################################################
#                                                     #
#                        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  159 ( 1222),  selected  131 , name one
# Molecule2: number of CA atoms  131 (  992),  selected  131 , 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:   131       4_A - 151_A       3.36     3.36
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       4_A - 148_A       1.95     3.42
  LCS_AVERAGE:     95.58

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    38       5_A - 42_A        0.98     3.57
  LONGEST_CONTINUOUS_SEGMENT:    38       6_A - 43_A        0.99     3.55
  LCS_AVERAGE:     24.67

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  131
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     E     4_A     E     4_A      3  128  131      3   11   38   55   75  110  119  122  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     K     5_A     K     5_A     38  128  131      4   77   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     T     6_A     T     6_A     38  128  131     30   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     V     7_A     V     7_A     38  128  131     26   78   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     Y     8_A     Y     8_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     G     9_A     G     9_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     L    10_A     L    10_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     N    11_A     N    11_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     E    12_A     E    12_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     Y    13_A     Y    13_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A    14_A     A    14_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A    15_A     A    15_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     L    16_A     L    16_A     38  128  131     41   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     D    17_A     D    17_A     38  128  131     30   75   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     G    18_A     G    18_A     38  128  131      3   18   65  108  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     I    19_A     I    19_A     38  128  131     26   77   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     N    20_A     N    20_A     38  128  131      5   52   96  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     L    21_A     L    21_A     38  128  131      7   52   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     E    22_A     E    22_A     38  128  131      5   52   98  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     V    23_A     V    23_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A    24_A     A    24_A     38  128  131     42   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A    25_A     A    25_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     K    26_A     K    26_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     L    27_A     L    27_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     D    28_A     D    28_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     T    29_A     T    29_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     G    30_A     G    30_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A    31_A     A    31_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     K    32_A     K    32_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     T    33_A     T    33_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A    34_A     A    34_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     S    35_A     S    35_A     38  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     L    36_A     L    36_A     38  128  131     35   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     S    37_A     S    37_A     38  128  131     26   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A    38_A     A    38_A     38  128  131     26   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     R    39_A     R    39_A     38  128  131      6   52   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     D    40_A     D    40_A     38  128  131     16   67   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     I    41_A     I    41_A     38  128  131     16   67   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     K    42_A     K    42_A     38  128  131     12   65   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     R    43_A     R    43_A     38  128  131      8   52   92  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     F    44_A     F    44_A     36  128  131      8   40   85  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     K    45_A     K    45_A     36  128  131     16   48   88  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     R    46_A     R    46_A     36  128  131     16   48   87  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     N    47_A     N    47_A     36  128  131     16   41   85  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     G    48_A     G    48_A     36  128  131     16   41   85  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     E    49_A     E    49_A     36  128  131     16   41   85  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     S    50_A     S    50_A     36  128  131     16   52   89  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     W    51_A     W    51_A     36  128  131     16   56   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     V    52_A     V    52_A     36  128  131     28   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     R    53_A     R    53_A     36  128  131     28   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     F    54_A     F    54_A     36  128  131     21   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     Y    55_A     Y    55_A     36  128  131     26   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     L    56_A     L    56_A     36  128  131     26   75   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A    57_A     A    57_A     36  128  131      3    9   22   72  114  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     I    58_A     I    58_A     36  128  131      3   69   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     D    59_A     D    59_A      4  128  131      3    4    4    5   42   62   94  119  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A    60_A     A    60_A      4  128  131      3    4   12   29   47   68   83  107  119  125  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A    61_A     A    61_A      4  128  131      3    4    4   16   54   96  116  122  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     H    62_A     H    62_A      4  128  131      3   21   28   41   78  102  118  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     S    63_A     S    63_A      9  128  131      4    9   21   29   67  107  119  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     H    64_A     H    64_A     37  128  131      7   19   76  101  114  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     P    65_A     P    65_A     37  128  131     10   77   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     I    66_A     I    66_A     37  128  131     25   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     E    67_A     E    67_A     37  128  131     10   60   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     R    68_A     R    68_A     37  128  131     10   37   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     P    69_A     P    69_A     37  128  131     10   23   86  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     L    70_A     L    70_A     37  128  131     29   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A    71_A     A    71_A     37  128  131     29   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     R    72_A     R    72_A     37  128  131     31   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     V    73_A     V    73_A     37  128  131     23   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     S    74_A     S    74_A     37  128  131     29   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     K    75_A     K    75_A     37  128  131      7   53   96  110  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A    93_A     A    93_A     37  128  131     30   81   99  112  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     R    94_A     R    94_A     37  128  131     38   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     P    95_A     P    95_A     37  128  131     29   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     V    96_A     V    96_A     37  128  131     40   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     I    97_A     I    97_A     37  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     E    98_A     E    98_A     37  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     L    99_A     L    99_A     37  128  131     41   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     D   100_A     D   100_A     37  128  131     30   77   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     I   101_A     I   101_A     37  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     C   102_A     C   102_A     37  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     M   103_A     M   103_A     37  128  131     34   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     G   104_A     G   104_A     37  128  131     18   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     S   105_A     S   105_A     37  128  131     18   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A   106_A     A   106_A     37  128  131     18   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     M   107_A     M   107_A     37  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     R   108_A     R   108_A     37  128  131     31   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     S   109_A     S   109_A     37  128  131     31   77   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     I   110_A     I   110_A     37  128  131     35   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     E   111_A     E   111_A     37  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     V   112_A     V   112_A     37  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     N   113_A     N   113_A     37  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     L   114_A     L   114_A     37  128  131     40   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     T   115_A     T   115_A     37  128  131     38   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     D   116_A     D   116_A     37  128  131     11   67   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     R   117_A     R   117_A     37  128  131      4   31   97  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     S   118_A     S   118_A     37  128  131     15   73   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A   119_A     A   119_A      3  128  131      1    3    3    9   26   96  119  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     F   120_A     F   120_A     27  128  131      1    3    5   94  110  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     Q   121_A     Q   121_A     27  128  131     11   35   73   99  112  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     Y   122_A     Y   122_A     27  128  131     39   77   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     P   123_A     P   123_A     27  128  131     42   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     L   124_A     L   124_A     27  128  131     42   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     L   125_A     L   125_A     27  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     I   126_A     I   126_A     27  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     G   127_A     G   127_A     27  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     S   128_A     S   128_A     27  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     E   129_A     E   129_A     27  128  131     39   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A   130_A     A   130_A     27  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     L   131_A     L   131_A     27  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     K   132_A     K   132_A     27  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     R   133_A     R   133_A     27  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     F   134_A     F   134_A     27  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     D   135_A     D   135_A     27  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A   136_A     A   136_A     27  128  131     41   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     L   137_A     L   137_A     27  128  131     34   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     V   138_A     V   138_A     27  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     D   139_A     D   139_A     27  128  131     42   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     P   140_A     P   140_A     27  128  131     42   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     S   141_A     S   141_A     27  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     L   142_A     L   142_A     27  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     K   143_A     K   143_A     27  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     Y   144_A     Y   144_A     27  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A   145_A     A   145_A     27  128  131     43   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     A   146_A     A   146_A     27  128  131     30   81   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     G   147_A     G   147_A     27  128  131      5   50   99  113  116  119  120  123  125  126  127  128  128  128  128  128  128  128  129  129 
LCS_GDT     K   148_A     K   148_A      5  128  131      5    5    6   11   20   36   49   60   80   95  122  128  128  128  128  128  128  128  129  129 
LCS_GDT     P   149_A     P   149_A      5    6  131      5    5    6    6    6    8    8    9   10   11   23   34   50   58   80   94  118  127  129  129 
LCS_GDT     A   150_A     A   150_A      5    6  131      5    5    6    6    6    8    8    9   10   10   12   14   16   16   17   26   29   32   38  124 
LCS_GDT     C   151_A     C   151_A      3    6  131      3    3    4    5    6    8    8    9   10   10   10   11   12   12   13   17   18   20   24   26 
LCS_AVERAGE  LCS_A:  73.41  (  24.67   95.58  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     43     81     99    113    116    119    120    123    125    126    127    128    128    128    128    128    128    128    129    129 
GDT PERCENT_AT  32.82  61.83  75.57  86.26  88.55  90.84  91.60  93.89  95.42  96.18  96.95  97.71  97.71  97.71  97.71  97.71  97.71  97.71  98.47  98.47
GDT RMS_LOCAL    0.33   0.64   0.83   1.12   1.16   1.24   1.28   1.51   1.66   1.72   1.82   1.95   1.95   1.95   1.95   1.95   1.95   1.95   2.27   2.27
GDT RMS_ALL_AT   3.57   3.58   3.56   3.50   3.51   3.50   3.50   3.47   3.45   3.44   3.44   3.42   3.42   3.42   3.42   3.42   3.42   3.42   3.40   3.40

# Checking swapping
#   possible swapping detected:  F    44_A      F    44_A
#   possible swapping detected:  E    49_A      E    49_A
#   possible swapping detected:  Y    55_A      Y    55_A
#   possible swapping detected:  D    59_A      D    59_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  E   111_A      E   111_A
#   possible swapping detected:  F   120_A      F   120_A
#   possible swapping detected:  E   129_A      E   129_A
#   possible swapping detected:  D   135_A      D   135_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A     5.598     4    0.595   0.570     7.316   31.071   14.921
LGA    K     5_A      K     5_A     1.219     0    0.598   1.118    11.101   85.952   46.825
LGA    T     6_A      T     6_A     0.652     0    0.074   0.095     1.190   90.595   89.252
LGA    V     7_A      V     7_A     1.024     0    0.043   1.062     2.722   85.952   79.320
LGA    Y     8_A      Y     8_A     0.544     0    0.033   0.095     0.822   95.238   95.238
LGA    G     9_A      G     9_A     0.348     0    0.067   0.067     0.696   95.238   95.238
LGA    L    10_A      L    10_A     0.665     0    0.030   1.128     4.540   90.476   74.821
LGA    N    11_A      N    11_A     0.315     0    0.029   1.161     4.305  100.000   78.929
LGA    E    12_A      E    12_A     0.392     0    0.045   0.135     0.692   95.238   96.825
LGA    Y    13_A      Y    13_A     0.504     0    0.046   0.188     1.136   95.238   90.556
LGA    A    14_A      A    14_A     0.534     0    0.052   0.061     0.534   90.476   92.381
LGA    A    15_A      A    15_A     0.431     0    0.018   0.035     0.493  100.000  100.000
LGA    L    16_A      L    16_A     0.700     0    0.080   0.123     1.421   88.214   87.083
LGA    D    17_A      D    17_A     1.194     0    0.621   0.669     2.662   75.357   73.155
LGA    G    18_A      G    18_A     2.427     0    0.071   0.071     2.427   68.810   68.810
LGA    I    19_A      I    19_A     1.382     0    0.539   1.045     3.319   71.429   66.310
LGA    N    20_A      N    20_A     2.071     0    0.131   0.846     5.420   66.786   53.333
LGA    L    21_A      L    21_A     1.671     0    0.061   1.413     4.169   72.857   66.488
LGA    E    22_A      E    22_A     1.824     0    0.035   0.171     5.718   75.000   53.280
LGA    V    23_A      V    23_A     0.862     0    0.108   0.120     2.275   92.857   84.354
LGA    A    24_A      A    24_A     1.041     0    0.071   0.075     1.319   83.690   83.238
LGA    A    25_A      A    25_A     0.447     0    0.066   0.072     0.556   97.619   98.095
LGA    K    26_A      K    26_A     0.505     0    0.067   0.572     1.373   95.238   90.582
LGA    L    27_A      L    27_A     0.382     0    0.048   0.144     0.648  100.000   97.619
LGA    D    28_A      D    28_A     0.280     0    0.056   0.092     0.858  100.000   96.429
LGA    T    29_A      T    29_A     0.399     0    0.083   0.073     0.891   95.238   93.197
LGA    G    30_A      G    30_A     0.640     0    0.123   0.123     0.640   95.238   95.238
LGA    A    31_A      A    31_A     0.572     0    0.017   0.026     0.737   90.476   90.476
LGA    K    32_A      K    32_A     0.711     0    0.016   0.986     4.146   90.476   72.646
LGA    T    33_A      T    33_A     0.855     0    0.050   0.102     1.353   90.476   86.599
LGA    A    34_A      A    34_A     0.793     0    0.061   0.059     0.854   90.476   90.476
LGA    S    35_A      S    35_A     0.708     0    0.048   0.080     0.798   90.476   90.476
LGA    L    36_A      L    36_A     0.979     0    0.039   0.041     1.507   90.476   84.881
LGA    S    37_A      S    37_A     1.089     0    0.056   0.143     1.964   85.952   81.587
LGA    A    38_A      A    38_A     0.803     0    0.045   0.070     1.565   83.810   85.143
LGA    R    39_A      R    39_A     1.556     0    0.095   1.222     6.219   79.286   56.407
LGA    D    40_A      D    40_A     1.426     0    0.023   0.637     2.913   79.286   77.381
LGA    I    41_A      I    41_A     1.420     0    0.051   0.119     1.635   75.000   77.143
LGA    K    42_A      K    42_A     1.588     4    0.142   0.159     1.689   75.000   41.429
LGA    R    43_A      R    43_A     2.055     0    0.032   1.527     6.128   62.857   47.056
LGA    F    44_A      F    44_A     2.609     0    0.099   1.218     4.952   59.048   56.580
LGA    K    45_A      K    45_A     2.466     0    0.046   0.592     2.777   59.048   63.280
LGA    R    46_A      R    46_A     2.504     0    0.026   1.014     4.297   59.048   58.874
LGA    N    47_A      N    47_A     2.940     0    0.061   1.333     6.308   57.143   48.750
LGA    G    48_A      G    48_A     2.868     0    0.097   0.097     3.140   55.357   55.357
LGA    E    49_A      E    49_A     2.458     0    0.041   1.361     5.426   62.857   51.217
LGA    S    50_A      S    50_A     1.962     0    0.050   0.694     3.075   72.976   69.127
LGA    W    51_A      W    51_A     1.401     0    0.039   1.088     4.509   79.286   61.633
LGA    V    52_A      V    52_A     0.510     0    0.038   1.170     2.707   92.857   84.762
LGA    R    53_A      R    53_A     0.566     0    0.056   1.351     7.563   90.476   62.987
LGA    F    54_A      F    54_A     0.627     0    0.022   0.112     0.627   92.857   97.403
LGA    Y    55_A      Y    55_A     1.114     0    0.048   0.185     1.617   83.690   81.508
LGA    L    56_A      L    56_A     1.192     0    0.131   0.199     2.585   79.286   73.155
LGA    A    57_A      A    57_A     3.028     0    0.667   0.614     4.486   65.119   59.524
LGA    I    58_A      I    58_A     1.536     0    0.673   1.417     3.119   66.905   64.048
LGA    D    59_A      D    59_A     6.311     0    0.537   1.041    11.653   18.929    9.643
LGA    A    60_A      A    60_A     7.282     0    0.132   0.132     8.332   13.690   11.905
LGA    A    61_A      A    61_A     4.990     0    0.200   0.199     5.305   32.976   31.619
LGA    H    62_A      H    62_A     5.613     0    0.134   1.463     8.605   24.048   16.905
LGA    S    63_A      S    63_A     4.499     0    0.656   0.756     5.300   37.262   34.444
LGA    H    64_A      H    64_A     2.850     0    0.196   1.117     6.207   59.167   46.476
LGA    P    65_A      P    65_A     1.135     0    0.032   0.249     2.040   77.143   76.599
LGA    I    66_A      I    66_A     0.524     0    0.161   0.183     0.718   92.857   92.857
LGA    E    67_A      E    67_A     1.214     0    0.101   0.763     4.151   79.286   62.169
LGA    R    68_A      R    68_A     1.440     0    0.051   0.435     2.420   81.429   78.355
LGA    P    69_A      P    69_A     1.878     0    0.032   0.393     2.378   75.000   74.150
LGA    L    70_A      L    70_A     0.643     0    0.120   1.254     3.078   85.952   82.143
LGA    A    71_A      A    71_A     1.102     0    0.058   0.080     1.490   83.690   83.238
LGA    R    72_A      R    72_A     1.168     0    0.015   1.095     5.432   81.429   57.403
LGA    V    73_A      V    73_A     1.362     0    0.133   0.132     1.949   81.429   77.755
LGA    S    74_A      S    74_A     1.334     0    0.106   0.193     2.649   73.214   75.952
LGA    K    75_A      K    75_A     2.240     4    0.076   0.122     2.541   66.786   36.032
LGA    A    93_A      A    93_A     1.365     0    0.537   0.586     3.683   69.762   70.381
LGA    R    94_A      R    94_A     0.732     4    0.054   0.716     3.409   88.214   52.251
LGA    P    95_A      P    95_A     0.869     0    0.045   0.245     0.998   90.476   90.476
LGA    V    96_A      V    96_A     0.645     0    0.029   0.922     2.537   90.476   84.422
LGA    I    97_A      I    97_A     0.952     0    0.038   0.654     2.489   85.952   82.738
LGA    E    98_A      E    98_A     1.128     0    0.052   0.493     3.165   79.286   72.434
LGA    L    99_A      L    99_A     1.203     0    0.018   1.379     4.181   81.429   73.750
LGA    D   100_A      D   100_A     1.392     0    0.079   0.101     2.266   81.429   76.131
LGA    I   101_A      I   101_A     0.612     0    0.025   0.664     1.846   90.476   88.274
LGA    C   102_A      C   102_A     0.459     0    0.031   0.125     1.118   95.238   93.730
LGA    M   103_A      M   103_A     0.887     0    0.033   1.022     4.104   85.952   77.202
LGA    G   104_A      G   104_A     1.274     0    0.114   0.114     1.470   81.429   81.429
LGA    S   105_A      S   105_A     1.172     0    0.142   0.676     1.541   81.429   78.571
LGA    A   106_A      A   106_A     1.282     0    0.094   0.117     1.637   81.429   79.714
LGA    M   107_A      M   107_A     0.855     0    0.073   1.110     4.168   88.214   75.417
LGA    R   108_A      R   108_A     1.172     0    0.090   0.598     3.225   81.429   75.541
LGA    S   109_A      S   109_A     1.301     0    0.074   0.656     2.315   81.429   77.222
LGA    I   110_A      I   110_A     0.924     0    0.046   0.698     1.742   88.214   86.012
LGA    E   111_A      E   111_A     0.916     0    0.034   0.675     1.799   90.476   84.497
LGA    V   112_A      V   112_A     0.606     0    0.021   0.077     0.835   90.476   90.476
LGA    N   113_A      N   113_A     0.662     0    0.066   0.272     1.291   90.476   88.214
LGA    L   114_A      L   114_A     0.732     0    0.050   0.059     0.980   90.476   90.476
LGA    T   115_A      T   115_A     0.651     0    0.021   1.009     1.949   88.214   84.150
LGA    D   116_A      D   116_A     1.288     0    0.354   0.649     1.848   88.214   83.750
LGA    R   117_A      R   117_A     1.657     0    0.154   1.481    11.648   79.405   39.091
LGA    S   118_A      S   118_A     1.219     0    0.655   0.890     5.872   75.119   61.984
LGA    A   119_A      A   119_A     5.076     0    0.628   0.564     7.656   31.190   26.381
LGA    F   120_A      F   120_A     3.383     0    0.555   1.470     8.296   67.976   34.026
LGA    Q   121_A      Q   121_A     3.023     0    0.559   0.621     8.833   55.476   30.899
LGA    Y   122_A      Y   122_A     1.434     0    0.024   0.323     1.797   79.286   83.730
LGA    P   123_A      P   123_A     0.895     0    0.044   0.100     1.020   88.214   89.184
LGA    L   124_A      L   124_A     0.747     0    0.076   0.089     1.111   90.476   89.345
LGA    L   125_A      L   125_A     0.575     0    0.060   0.342     1.311   90.476   91.726
LGA    I   126_A      I   126_A     0.496     0    0.060   1.138     2.448   92.857   83.214
LGA    G   127_A      G   127_A     0.478     0    0.056   0.056     0.503   95.238   95.238
LGA    S   128_A      S   128_A     0.657     0    0.041   0.056     1.137   90.476   88.968
LGA    E   129_A      E   129_A     0.979     0    0.032   0.270     2.147   90.476   80.794
LGA    A   130_A      A   130_A     0.675     0    0.028   0.030     0.745   95.238   94.286
LGA    L   131_A      L   131_A     0.351     0    0.052   0.174     0.628   95.238   96.429
LGA    K   132_A      K   132_A     0.542     0    0.029   0.850     4.391   90.476   74.286
LGA    R   133_A      R   133_A     0.555     0    0.063   1.061     2.621   95.238   80.476
LGA    F   134_A      F   134_A     0.291     0    0.060   0.230     0.729   97.619   96.537
LGA    D   135_A      D   135_A     0.882     0    0.043   1.191     3.100   90.476   84.286
LGA    A   136_A      A   136_A     0.494     0    0.085   0.099     0.883   95.238   94.286
LGA    L   137_A      L   137_A     1.031     0    0.121   1.099     4.269   88.214   71.429
LGA    V   138_A      V   138_A     0.273     0    0.059   0.072     0.733   95.238   93.197
LGA    D   139_A      D   139_A     0.412     0    0.033   0.151     0.822  100.000   95.238
LGA    P   140_A      P   140_A     0.538     0    0.032   0.338     1.935   92.857   89.320
LGA    S   141_A      S   141_A     0.277     0    0.104   0.599     1.839  100.000   95.476
LGA    L   142_A      L   142_A     0.434     0    0.035   0.083     0.780   95.238   94.048
LGA    K   143_A      K   143_A     0.928     0    0.098   1.308     7.581   85.952   64.656
LGA    Y   144_A      Y   144_A     0.939     0    0.033   0.076     1.535   88.214   82.976
LGA    A   145_A      A   145_A     1.131     0    0.076   0.075     1.667   85.952   83.333
LGA    A   146_A      A   146_A     0.968     0    0.173   0.172     1.643   83.810   81.619
LGA    G   147_A      G   147_A     1.537     0    0.079   0.079     5.902   55.476   55.476
LGA    K   148_A      K   148_A     8.354     4    0.034   0.051     9.893    7.024    3.280
LGA    P   149_A      P   149_A    13.836     0    0.114   0.266    16.002    0.000    0.000
LGA    A   150_A      A   150_A    17.971     0    0.408   0.417    20.032    0.000    0.000
LGA    C   151_A      C   151_A    23.738     0    0.573   0.591    26.276    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      131     524    524  100.00     992    992  100.00               131
SUMMARY(RMSD_GDC):     3.360          3.418                  3.639           78.495   72.073

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  159  131    4.0    123    1.51    84.924    90.112     7.638

LGA_LOCAL      RMSD:   1.510  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.470  Number of assigned atoms:  131 
Std_ASGN_ATOMS RMSD:   3.360  Standard rmsd on all 131 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.063518 * X  +   0.544110 * Y  +   0.836606 * Z  + -29.749111
  Y_new =  -0.638308 * X  +  -0.622257 * Y  +   0.453165 * Z  +  11.814605
  Z_new =   0.767156 * X  +  -0.562796 * Y  +   0.307785 * Z  +  -9.429927 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.471613 -0.874396 -1.070347   [DEG:  -84.3172  -50.0992  -61.3264 ]
ZXZ:  2.067223  1.257932  2.203727   [DEG:  118.4431   72.0742  126.2643 ]
 
# END of job
