
#######################################################
#                                                     #
#                        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       3.34     3.34
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   128       4_A - 148_A       1.98     3.40
  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     3.55
  LONGEST_CONTINUOUS_SEGMENT:    38       6_A - 43_A        0.99     3.53
  LCS_AVERAGE:     24.57

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   22   39   53   75  108  119  123  123  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K     5_A     K     5_A     38  128  131     11   73   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     T     6_A     T     6_A     38  128  131     35   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     V     7_A     V     7_A     38  128  131     23   76   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     Y     8_A     Y     8_A     38  128  131     36   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     G     9_A     G     9_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    10_A     L    10_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     N    11_A     N    11_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     E    12_A     E    12_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     Y    13_A     Y    13_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    14_A     A    14_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    15_A     A    15_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    16_A     L    16_A     38  128  131     35   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     D    17_A     D    17_A     38  128  131     25   72   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     G    18_A     G    18_A     38  128  131      3    6   38  106  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     I    19_A     I    19_A     38  128  131     22   71   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     N    20_A     N    20_A     38  128  131      9   51   93  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    21_A     L    21_A     38  128  131      9   61   96  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     E    22_A     E    22_A     38  128  131      9   51   96  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     V    23_A     V    23_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    24_A     A    24_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    25_A     A    25_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K    26_A     K    26_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    27_A     L    27_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     D    28_A     D    28_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     T    29_A     T    29_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     G    30_A     G    30_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    31_A     A    31_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K    32_A     K    32_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     T    33_A     T    33_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    34_A     A    34_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S    35_A     S    35_A     38  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    36_A     L    36_A     38  128  131     38   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S    37_A     S    37_A     38  128  131     22   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    38_A     A    38_A     38  128  131     24   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    39_A     R    39_A     38  128  131      9   52   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     D    40_A     D    40_A     38  128  131     17   68   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     I    41_A     I    41_A     38  128  131     17   68   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K    42_A     K    42_A     38  128  131     17   68   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    43_A     R    43_A     38  128  131     10   54   95  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     F    44_A     F    44_A     36  128  131     10   26   87  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K    45_A     K    45_A     36  128  131      7   48   89  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    46_A     R    46_A     36  128  131     10   48   89  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     N    47_A     N    47_A     36  128  131     17   56   90  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     G    48_A     G    48_A     36  128  131     17   54   89  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     E    49_A     E    49_A     36  128  131     17   55   90  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S    50_A     S    50_A     36  128  131     17   56   96  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     W    51_A     W    51_A     36  128  131     15   61   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     V    52_A     V    52_A     36  128  131     29   78   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    53_A     R    53_A     36  128  131     29   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     F    54_A     F    54_A     36  128  131     29   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     Y    55_A     Y    55_A     36  128  131     22   69   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    56_A     L    56_A     36  128  131     18   69   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    57_A     A    57_A     36  128  131      3    4   31   81  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     I    58_A     I    58_A     36  128  131      3   71   97  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     D    59_A     D    59_A      5  128  131      4    4    5   23   44   70  107  121  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    60_A     A    60_A      5  128  131      4    4    5    5   32   50   68   87  109  118  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    61_A     A    61_A      5  128  131      4    4    5    6   10   21   59   97  116  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     H    62_A     H    62_A      5  128  131      4    4   17   66   74  101  118  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S    63_A     S    63_A     12  128  131      4   11   25   43  106  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     H    64_A     H    64_A     37  128  131     10   18   83  105  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     P    65_A     P    65_A     37  128  131     10   72   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     I    66_A     I    66_A     37  128  131     30   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     E    67_A     E    67_A     37  128  131     10   62   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    68_A     R    68_A     37  128  131     10   40   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     P    69_A     P    69_A     37  128  131     10   23   87  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    70_A     L    70_A     37  128  131     29   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    71_A     A    71_A     37  128  131     29   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    72_A     R    72_A     37  128  131     27   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     V    73_A     V    73_A     37  128  131     27   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S    74_A     S    74_A     37  128  131     27   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K    75_A     K    75_A     37  128  131      3   64   95  111  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A    93_A     A    93_A     37  128  131     13   67   95  111  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R    94_A     R    94_A     37  128  131     34   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     P    95_A     P    95_A     37  128  131     27   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     V    96_A     V    96_A     37  128  131     35   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     I    97_A     I    97_A     37  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     E    98_A     E    98_A     37  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L    99_A     L    99_A     37  128  131     38   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     D   100_A     D   100_A     37  128  131     27   71   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     I   101_A     I   101_A     37  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     C   102_A     C   102_A     37  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     M   103_A     M   103_A     37  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     G   104_A     G   104_A     37  128  131     19   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S   105_A     S   105_A     37  128  131     35   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   106_A     A   106_A     37  128  131     19   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     M   107_A     M   107_A     37  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R   108_A     R   108_A     37  128  131     27   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S   109_A     S   109_A     37  128  131     31   77   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     I   110_A     I   110_A     37  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     E   111_A     E   111_A     37  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     V   112_A     V   112_A     37  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     N   113_A     N   113_A     37  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   114_A     L   114_A     37  128  131     34   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     T   115_A     T   115_A     37  128  131     34   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     D   116_A     D   116_A     37  128  131      9   63   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R   117_A     R   117_A     37  128  131      3   46   92  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S   118_A     S   118_A     37  128  131     24   75   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   119_A     A   119_A      3  128  131      1    3    3    9   27   83  118  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     F   120_A     F   120_A      3  128  131      1    3    5   21  113  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     Q   121_A     Q   121_A     27  128  131      8   41   75  102  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     Y   122_A     Y   122_A     27  128  131     36   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     P   123_A     P   123_A     27  128  131     39   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   124_A     L   124_A     27  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   125_A     L   125_A     27  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     I   126_A     I   126_A     27  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     G   127_A     G   127_A     27  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S   128_A     S   128_A     27  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     E   129_A     E   129_A     27  128  131     36   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   130_A     A   130_A     27  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   131_A     L   131_A     27  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K   132_A     K   132_A     27  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     R   133_A     R   133_A     27  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     F   134_A     F   134_A     27  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     D   135_A     D   135_A     27  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   136_A     A   136_A     27  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   137_A     L   137_A     27  128  131     31   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     V   138_A     V   138_A     27  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     D   139_A     D   139_A     27  128  131     36   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     P   140_A     P   140_A     27  128  131     29   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     S   141_A     S   141_A     27  128  131     36   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     L   142_A     L   142_A     27  128  131     39   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K   143_A     K   143_A     27  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     Y   144_A     Y   144_A     27  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   145_A     A   145_A     27  128  131     41   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     A   146_A     A   146_A     27  128  131     27   79   98  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     G   147_A     G   147_A     27  128  131      7   39   90  112  116  119  121  123  124  125  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     K   148_A     K   148_A      5  128  131      3    4    6   13   24   37   50   72   93  117  126  127  128  128  128  128  128  129  129  129 
LCS_GDT     P   149_A     P   149_A      5    6  131      3    4    6    7    8    8    8    9   10   10   26   38   53   79   94  120  127  129  129  129 
LCS_GDT     A   150_A     A   150_A      5    6  131      3    4    6    7    8    8    8    9   10   10   10   13   15   17   19   32   54   61   66  121 
LCS_GDT     C   151_A     C   151_A      3    6  131      3    3    5    5    7    7    7    9   10   10   10   10   14   15   15   16   22   24   25   26 
LCS_AVERAGE  LCS_A:  73.38  (  24.57   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     41     79     98    112    116    119    121    123    124    125    126    127    128    128    128    128    128    129    129    129 
GDT PERCENT_AT  31.30  60.31  74.81  85.50  88.55  90.84  92.37  93.89  94.66  95.42  96.18  96.95  97.71  97.71  97.71  97.71  97.71  98.47  98.47  98.47
GDT RMS_LOCAL    0.34   0.63   0.84   1.07   1.13   1.20   1.30   1.47   1.56   1.63   1.74   1.87   1.98   1.98   1.98   1.98   1.98   2.27   2.27   2.27
GDT RMS_ALL_AT   3.55   3.54   3.53   3.48   3.48   3.48   3.47   3.45   3.44   3.43   3.42   3.41   3.40   3.40   3.40   3.40   3.40   3.37   3.37   3.37

# Checking swapping
#   possible swapping detected:  D    17_A      D    17_A
#   possible swapping detected:  F    44_A      F    44_A
#   possible swapping detected:  D    59_A      D    59_A
#   possible swapping detected:  E    67_A      E    67_A
#   possible swapping detected:  E    98_A      E    98_A
#   possible swapping detected:  E   111_A      E   111_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A     5.689     4    0.559   0.534     7.606   31.071   14.603
LGA    K     5_A      K     5_A     1.204     0    0.589   1.389    11.186   85.952   46.561
LGA    T     6_A      T     6_A     0.540     0    0.071   0.084     1.218   90.595   89.252
LGA    V     7_A      V     7_A     1.022     0    0.047   1.035     2.788   85.952   80.544
LGA    Y     8_A      Y     8_A     0.509     0    0.029   0.111     0.710   95.238   96.825
LGA    G     9_A      G     9_A     0.255     0    0.071   0.071     0.623   97.619   97.619
LGA    L    10_A      L    10_A     0.628     0    0.026   1.157     4.540   92.857   76.905
LGA    N    11_A      N    11_A     0.283     0    0.029   1.249     4.214  100.000   78.929
LGA    E    12_A      E    12_A     0.359     0    0.039   0.084     0.684   95.238   97.884
LGA    Y    13_A      Y    13_A     0.576     0    0.048   0.196     2.434   90.476   79.603
LGA    A    14_A      A    14_A     0.492     0    0.053   0.070     0.519   95.238   96.190
LGA    A    15_A      A    15_A     0.468     0    0.018   0.040     0.504   97.619   98.095
LGA    L    16_A      L    16_A     0.745     0    0.082   0.125     1.517   88.214   83.750
LGA    D    17_A      D    17_A     1.196     0    0.621   0.743     3.203   75.357   73.393
LGA    G    18_A      G    18_A     2.462     0    0.080   0.080     2.462   68.810   68.810
LGA    I    19_A      I    19_A     1.436     0    0.510   1.063     3.140   71.429   68.333
LGA    N    20_A      N    20_A     2.115     0    0.110   0.921     5.853   66.786   52.738
LGA    L    21_A      L    21_A     1.779     0    0.082   0.892     3.336   72.857   68.988
LGA    E    22_A      E    22_A     1.872     0    0.033   0.169     6.194   75.000   51.534
LGA    V    23_A      V    23_A     0.948     0    0.116   0.149     2.549   92.857   80.884
LGA    A    24_A      A    24_A     1.046     0    0.065   0.070     1.304   83.690   83.238
LGA    A    25_A      A    25_A     0.456     0    0.064   0.069     0.559   97.619   98.095
LGA    K    26_A      K    26_A     0.498     0    0.077   0.918     3.178   95.238   86.296
LGA    L    27_A      L    27_A     0.380     0    0.061   0.151     0.757  100.000   97.619
LGA    D    28_A      D    28_A     0.296     0    0.036   0.108     0.625  100.000   98.810
LGA    T    29_A      T    29_A     0.415     0    0.076   0.066     0.754   97.619   94.558
LGA    G    30_A      G    30_A     0.639     0    0.127   0.127     0.639   95.238   95.238
LGA    A    31_A      A    31_A     0.522     0    0.020   0.026     0.677   90.476   90.476
LGA    K    32_A      K    32_A     0.673     0    0.017   0.706     2.777   90.476   75.661
LGA    T    33_A      T    33_A     0.882     0    0.018   0.103     1.387   90.476   86.599
LGA    A    34_A      A    34_A     0.729     0    0.053   0.052     0.816   90.476   90.476
LGA    S    35_A      S    35_A     0.630     0    0.047   0.710     2.434   90.476   86.190
LGA    L    36_A      L    36_A     0.925     0    0.053   0.059     1.482   90.476   87.083
LGA    S    37_A      S    37_A     1.035     0    0.036   0.075     1.668   85.952   83.016
LGA    A    38_A      A    38_A     0.762     0    0.049   0.072     1.593   83.810   85.143
LGA    R    39_A      R    39_A     1.637     0    0.090   0.715     7.758   79.286   46.320
LGA    D    40_A      D    40_A     1.438     0    0.030   0.090     1.869   79.286   78.214
LGA    I    41_A      I    41_A     1.367     0    0.059   0.544     1.749   79.286   76.071
LGA    K    42_A      K    42_A     1.502     4    0.150   0.166     1.629   79.286   43.333
LGA    R    43_A      R    43_A     1.995     0    0.030   0.892     8.021   64.881   39.913
LGA    F    44_A      F    44_A     2.596     0    0.112   1.129     5.357   62.857   51.775
LGA    K    45_A      K    45_A     2.371     0    0.036   0.965     4.711   62.857   54.815
LGA    R    46_A      R    46_A     2.473     0    0.042   1.088     2.601   64.762   68.528
LGA    N    47_A      N    47_A     2.182     0    0.052   0.883     4.016   64.762   56.786
LGA    G    48_A      G    48_A     2.301     0    0.079   0.079     2.582   62.857   62.857
LGA    E    49_A      E    49_A     1.952     0    0.034   0.775     4.219   70.833   64.497
LGA    S    50_A      S    50_A     1.578     0    0.057   0.678     2.623   77.143   74.524
LGA    W    51_A      W    51_A     1.294     0    0.080   1.172     5.146   81.429   59.728
LGA    V    52_A      V    52_A     0.554     0    0.029   1.172     2.676   90.476   83.401
LGA    R    53_A      R    53_A     0.581     0    0.041   1.221     5.954   90.476   70.649
LGA    F    54_A      F    54_A     0.625     0    0.017   0.151     0.625   92.857   95.671
LGA    Y    55_A      Y    55_A     1.343     0    0.092   1.330     8.211   83.690   53.849
LGA    L    56_A      L    56_A     1.223     0    0.130   0.264     2.252   79.286   75.119
LGA    A    57_A      A    57_A     2.949     0    0.658   0.601     4.390   69.048   62.667
LGA    I    58_A      I    58_A     1.561     0    0.681   1.507     3.338   69.048   65.119
LGA    D    59_A      D    59_A     6.007     0    0.542   1.219    11.168   18.929    9.821
LGA    A    60_A      A    60_A     8.121     0    0.093   0.092     9.234    7.976    6.667
LGA    A    61_A      A    61_A     7.229     0    0.175   0.175     7.497   14.405   13.524
LGA    H    62_A      H    62_A     5.559     0    0.622   1.281    11.740   22.857   11.905
LGA    S    63_A      S    63_A     3.902     0    0.651   0.780     5.729   46.786   40.000
LGA    H    64_A      H    64_A     2.688     0    0.165   1.134     4.562   59.167   56.333
LGA    P    65_A      P    65_A     1.414     0    0.044   0.245     2.238   79.286   77.823
LGA    I    66_A      I    66_A     0.386     0    0.198   0.973     2.389   95.238   84.226
LGA    E    67_A      E    67_A     1.233     0    0.117   0.689     3.626   79.286   66.561
LGA    R    68_A      R    68_A     1.403     0    0.042   0.814     4.434   81.429   69.913
LGA    P    69_A      P    69_A     1.789     0    0.028   0.394     2.264   77.143   75.374
LGA    L    70_A      L    70_A     0.572     0    0.120   1.060     3.418   88.214   82.262
LGA    A    71_A      A    71_A     0.955     0    0.067   0.086     1.403   85.952   86.857
LGA    R    72_A      R    72_A     1.112     0    0.021   1.246     5.269   83.690   68.918
LGA    V    73_A      V    73_A     1.248     0    0.121   0.114     1.829   81.429   77.755
LGA    S    74_A      S    74_A     1.173     0    0.105   0.520     2.970   73.214   71.905
LGA    K    75_A      K    75_A     1.950     4    0.054   0.073     2.443   70.952   39.630
LGA    A    93_A      A    93_A     1.903     0    0.495   0.543     3.446   67.143   68.286
LGA    R    94_A      R    94_A     0.758     4    0.088   0.677     3.322   88.214   52.251
LGA    P    95_A      P    95_A     0.917     0    0.039   0.247     1.109   90.476   89.184
LGA    V    96_A      V    96_A     0.553     0    0.020   0.072     0.817   90.476   90.476
LGA    I    97_A      I    97_A     0.892     0    0.031   0.661     2.399   85.952   82.738
LGA    E    98_A      E    98_A     1.187     0    0.046   0.729     2.838   79.286   74.921
LGA    L    99_A      L    99_A     1.181     0    0.020   1.381     4.168   81.429   73.750
LGA    D   100_A      D   100_A     1.440     0    0.065   0.114     2.730   81.429   74.167
LGA    I   101_A      I   101_A     0.600     0    0.018   0.658     1.828   90.476   88.274
LGA    C   102_A      C   102_A     0.458     0    0.017   0.110     1.269   95.238   93.730
LGA    M   103_A      M   103_A     0.799     0    0.026   1.038     3.481   88.214   78.869
LGA    G   104_A      G   104_A     1.254     0    0.114   0.114     1.492   81.429   81.429
LGA    S   105_A      S   105_A     1.183     0    0.135   0.664     1.609   81.429   80.000
LGA    A   106_A      A   106_A     1.231     0    0.086   0.107     1.632   85.952   83.333
LGA    M   107_A      M   107_A     0.836     0    0.064   1.170     4.518   90.476   74.226
LGA    R   108_A      R   108_A     1.200     0    0.107   0.750     3.174   81.429   77.100
LGA    S   109_A      S   109_A     1.311     0    0.097   0.664     2.293   81.429   77.222
LGA    I   110_A      I   110_A     0.904     0    0.044   0.713     2.332   88.214   86.131
LGA    E   111_A      E   111_A     0.844     0    0.035   0.731     1.868   90.476   83.545
LGA    V   112_A      V   112_A     0.560     0    0.026   0.084     0.776   90.476   90.476
LGA    N   113_A      N   113_A     0.572     0    0.073   0.477     1.721   92.857   88.333
LGA    L   114_A      L   114_A     0.697     0    0.051   0.096     0.929   90.476   90.476
LGA    T   115_A      T   115_A     0.606     0    0.019   0.981     2.036   88.214   82.993
LGA    D   116_A      D   116_A     1.379     0    0.357   0.643     1.981   88.214   84.881
LGA    R   117_A      R   117_A     1.706     0    0.145   1.238    11.889   79.405   39.091
LGA    S   118_A      S   118_A     1.147     0    0.650   0.878     5.836   75.119   61.984
LGA    A   119_A      A   119_A     5.222     0    0.617   0.555     7.816   28.571   24.286
LGA    F   120_A      F   120_A     3.552     0    0.559   1.478     8.212   61.905   31.818
LGA    Q   121_A      Q   121_A     2.899     0    0.560   0.565     8.996   57.262   33.651
LGA    Y   122_A      Y   122_A     1.303     0    0.035   0.414     1.646   79.286   85.278
LGA    P   123_A      P   123_A     0.863     0    0.043   0.097     0.992   90.476   90.476
LGA    L   124_A      L   124_A     0.717     0    0.082   0.107     1.050   90.476   89.345
LGA    L   125_A      L   125_A     0.573     0    0.056   1.200     3.129   90.476   82.440
LGA    I   126_A      I   126_A     0.436     0    0.066   1.187     2.690   95.238   83.452
LGA    G   127_A      G   127_A     0.448     0    0.059   0.059     0.484  100.000  100.000
LGA    S   128_A      S   128_A     0.606     0    0.030   0.045     0.923   92.857   92.063
LGA    E   129_A      E   129_A     1.001     0    0.035   0.785     2.188   88.214   80.688
LGA    A   130_A      A   130_A     0.655     0    0.026   0.029     0.747   95.238   94.286
LGA    L   131_A      L   131_A     0.346     0    0.051   0.187     0.629   95.238   96.429
LGA    K   132_A      K   132_A     0.523     0    0.029   0.608     2.635   90.476   84.974
LGA    R   133_A      R   133_A     0.577     0    0.069   1.444     6.271   95.238   63.550
LGA    F   134_A      F   134_A     0.275     0    0.089   0.243     0.795   97.619   95.671
LGA    D   135_A      D   135_A     0.940     0    0.030   0.940     3.511   88.214   74.048
LGA    A   136_A      A   136_A     0.412     0    0.087   0.104     0.929   95.238   94.286
LGA    L   137_A      L   137_A     1.014     0    0.117   0.934     4.594   88.214   69.881
LGA    V   138_A      V   138_A     0.238     0    0.061   0.070     0.809   95.238   93.197
LGA    D   139_A      D   139_A     0.480     0    0.032   0.194     1.122  100.000   92.976
LGA    P   140_A      P   140_A     0.726     0    0.027   0.337     2.296   90.476   84.218
LGA    S   141_A      S   141_A     0.370     0    0.100   0.592     1.992   97.619   93.889
LGA    L   142_A      L   142_A     0.167     0    0.044   0.142     1.124   97.619   92.976
LGA    K   143_A      K   143_A     0.886     0    0.102   0.684     1.944   88.214   85.503
LGA    Y   144_A      Y   144_A     1.029     0    0.053   0.092     2.270   83.690   75.159
LGA    A   145_A      A   145_A     1.155     0    0.078   0.076     1.698   85.952   83.333
LGA    A   146_A      A   146_A     0.934     0    0.169   0.168     1.697   83.810   81.619
LGA    G   147_A      G   147_A     1.850     0    0.176   0.176     4.907   55.714   55.714
LGA    K   148_A      K   148_A     8.037     4    0.379   0.435    10.055    6.667    3.492
LGA    P   149_A      P   149_A    13.109     0    0.105   0.119    15.850    0.000    0.000
LGA    A   150_A      A   150_A    18.119     0    0.289   0.286    20.315    0.000    0.000
LGA    C   151_A      C   151_A    23.281     0    0.545   0.538    26.083    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):     3.336          3.406                  3.650           79.013   71.907

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  159  131    4.0    123    1.47    84.351    89.804     7.845

LGA_LOCAL      RMSD:   1.468  Number of atoms:  123  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.449  Number of assigned atoms:  131 
Std_ASGN_ATOMS RMSD:   3.336  Standard rmsd on all 131 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.046725 * X  +   0.557220 * Y  +   0.829049 * Z  + -29.347658
  Y_new =  -0.620097 * X  +  -0.634496 * Y  +   0.461406 * Z  +  11.801220
  Z_new =   0.783133 * X  +  -0.535650 * Y  +   0.315883 * Z  +  -9.069160 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.495587 -0.899688 -1.037970   [DEG:  -85.6908  -51.5483  -59.4713 ]
ZXZ:  2.078653  1.249409  2.170692   [DEG:  119.0981   71.5859  124.3715 ]
 
# END of job
