
#######################################################
#                                                     #
#                        LGA                          #
#                  ---------------                    #
#                                                     #
#               Local-Global Alignment                #
#        A Method for Finding 3-D Similarities        #
#               in Protein Structures                 #
#                                                     #
#                  ------------ 10/2009               #
#                                                     #
#      Adam Zemla (adamz@llnl.gov)                    #
#      Lawrence Livermore National Laboratory, CA     #
#                                                     #
#######################################################

!!!   License for LGA program has expired  !!!
#   For updated version of the LGA program   #
# please contact Adam Zemla:  adamz@llnl.gov #

# Molecule1: number of CA atoms  132 ( 1072),  selected  132 , name one
# Molecule2: number of CA atoms  132 ( 1072),  selected  132 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:A  -ch2:A  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   129       4_A - 132_A       4.65     6.15
  LCS_AVERAGE:     95.68

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      10_A - 132_A       1.82     6.79
  LCS_AVERAGE:     87.16

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    79      51_A - 129_A       0.99     6.92
  LCS_AVERAGE:     50.13

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  132
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     H     1_A     H     1_A      4    7   10      3    3    4    6    6    6    7    8    8    8    8    8    9    9   10   10   10   10   10   10 
LCS_GDT     H     2_A     H     2_A      4    7   10      3    4    5    6    6    6    7    8    8    8    8    8    9    9   10   13   15   18   19   21 
LCS_GDT     H     3_A     H     3_A      4    7   10      3    4    5    6    6    6    7    8    8    8    8    8    9   10   14   15   21   23   33   38 
LCS_GDT     H     4_A     H     4_A      4    7  129      3    4    5    6    6    6    7    8    8    8   11   14   16   18   20   26   31   37   38   41 
LCS_GDT     H     5_A     H     5_A      4    7  129      3    4    5    6    6    6    7    8    8   10   16   18   19   20   22   26   36   37   42   44 
LCS_GDT     H     6_A     H     6_A      4    7  129      3    4    4    6    6    8    8   10   12   15   18   22   25   30   33   36   39   45   47   52 
LCS_GDT     E     7_A     E     7_A      4    7  129      3    4    5    5    7   10   11   14   21   24   30   33   37   41   44   48   59   74   96  109 
LCS_GDT     N     8_A     N     8_A      4    5  129      3    4    4    4    9   15   19   24   30   41   65   87  103  113  120  124  125  125  125  125 
LCS_GDT     L     9_A     L     9_A      3    4  129      3    3    3    5    6   10   12   18   21   29   36   47   65   78  101  122  125  125  125  125 
LCS_GDT     Y    10_A     Y    10_A      3  123  129      3    3    4    5    9   17   20   30   36   44   59   78   96  117  123  124  125  125  125  125 
LCS_GDT     F    11_A     F    11_A      3  123  129      3    3    6   27   47   67   86  105  118  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q    12_A     Q    12_A     53  123  129      6   17   34   82  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     S    13_A     S    13_A     56  123  129      8   30   93  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     S    14_A     S    14_A     57  123  129     27   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     A    15_A     A    15_A     57  123  129     18   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     K    16_A     K    16_A     57  123  129     17   30  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q    17_A     Q    17_A     57  123  129     36   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     D    18_A     D    18_A     57  123  129     27   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     F    19_A     F    19_A     57  123  129     18   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     A    20_A     A    20_A     57  123  129     18   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     E    21_A     E    21_A     57  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     G    22_A     G    22_A     57  123  129     18   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     V    23_A     V    23_A     57  123  129     18   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     K    24_A     K    24_A     57  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     L    25_A     L    25_A     57  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     W    26_A     W    26_A     57  123  129     18   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q    27_A     Q    27_A     57  123  129     18   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     E    28_A     E    28_A     57  123  129     42   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     N    29_A     N    29_A     57  123  129     18   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     A    30_A     A    30_A     57  123  129     19   42   99  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     V    31_A     V    31_A     57  123  129     19   58  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     L    32_A     L    32_A     57  123  129     18   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     W    33_A     W    33_A     57  123  129     18   78  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     T    34_A     T    34_A     57  123  129     19   42  100  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     R    35_A     R    35_A     57  123  129     18   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     L    36_A     L    36_A     57  123  129     35   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     V    37_A     V    37_A     57  123  129     19   78  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q    38_A     Q    38_A     57  123  129     19   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     A    39_A     A    39_A     57  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     F    40_A     F    40_A     57  123  129     40   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q    41_A     Q    41_A     57  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     S    42_A     S    42_A     57  123  129     42   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     G    43_A     G    43_A     57  123  129     19   76  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     D    44_A     D    44_A     57  123  129     19   62  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q    45_A     Q    45_A     57  123  129     12   40   89  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     S    46_A     S    46_A     57  123  129     12   36   70  112  118  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     T    47_A     T    47_A     57  123  129     19   42  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     V    48_A     V    48_A     57  123  129     12   62  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     D    49_A     D    49_A     57  123  129     14   36   75  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     S    50_A     S    50_A     57  123  129     19   42   85  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     L    51_A     L    51_A     79  123  129     19   76  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     L    52_A     L    52_A     79  123  129     14   42   97  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     K    53_A     K    53_A     79  123  129     19   42   79  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q    54_A     Q    54_A     79  123  129     19   47  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     L    55_A     L    55_A     79  123  129     19   60  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     D    56_A     D    56_A     79  123  129     14   36   56  109  118  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     A    57_A     A    57_A     79  123  129     14   41   75  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     N    58_A     N    58_A     79  123  129     19   42  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     A    59_A     A    59_A     79  123  129     19   37   59  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     A    60_A     A    60_A     79  123  129     12   42   78  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     R    61_A     R    61_A     79  123  129     18   71  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     V    62_A     V    62_A     79  123  129     13   75  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     E    63_A     E    63_A     79  123  129     12   62  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q    64_A     Q    64_A     79  123  129     20   76  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     L    65_A     L    65_A     79  123  129     37   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     L    66_A     L    66_A     79  123  129     21   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q    67_A     Q    67_A     79  123  129     21   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     R    68_A     R    68_A     79  123  129     33   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     I    69_A     I    69_A     79  123  129     28   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     I    70_A     I    70_A     79  123  129     12   76  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     S    71_A     S    71_A     79  123  129     12   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     E    72_A     E    72_A     79  123  129     12   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     T    73_A     T    73_A     79  123  129     11   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     G    74_A     G    74_A     79  123  129      9   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     D    75_A     D    75_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     E    76_A     E    76_A     79  123  129     41   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     L    77_A     L    77_A     79  123  129     40   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     A    78_A     A    78_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     R    79_A     R    79_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     K    80_A     K    80_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     G    81_A     G    81_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     E    82_A     E    82_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     S    83_A     S    83_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     L    84_A     L    84_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     F    85_A     F    85_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q    86_A     Q    86_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     R    87_A     R    87_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     N    88_A     N    88_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q    89_A     Q    89_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q    90_A     Q    90_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     L    91_A     L    91_A     79  123  129     40   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     F    92_A     F    92_A     79  123  129     40   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     S    93_A     S    93_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q    94_A     Q    94_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     L    95_A     L    95_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     K    96_A     K    96_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     T    97_A     T    97_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     L    98_A     L    98_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     F    99_A     F    99_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     S   100_A     S   100_A     79  123  129     42   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q   101_A     Q   101_A     79  123  129     32   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     G   102_A     G   102_A     79  123  129     32   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     D   103_A     D   103_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     E   104_A     E   104_A     79  123  129     16   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     D   105_A     D   105_A     79  123  129     38   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     T   106_A     T   106_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     A   107_A     A   107_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     K   108_A     K   108_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     A   109_A     A   109_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     V   110_A     V   110_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     L   111_A     L   111_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     E   112_A     E   112_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     E   113_A     E   113_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     I   114_A     I   114_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q   115_A     Q   115_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     S   116_A     S   116_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     N   117_A     N   117_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     L   118_A     L   118_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     N   119_A     N   119_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q   120_A     Q   120_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     I   121_A     I   121_A     79  123  129     43   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q   122_A     Q   122_A     79  123  129     40   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q   123_A     Q   123_A     79  123  129     21   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     I   124_A     I   124_A     79  123  129     21   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     I   125_A     I   125_A     79  123  129     38   79  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     T   126_A     T   126_A     79  123  129     21   76  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     E   127_A     E   127_A     79  123  129     21   76  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     A   128_A     A   128_A     79  123  129     12   72  101  112  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     Q   129_A     Q   129_A     79  123  129     12   52  100  110  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     K   130_A     K   130_A     78  123  129     13   46   76  108  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     R   131_A     R   131_A     78  123  129      7   27   76  108  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_GDT     L   132_A     L   132_A     78  123  129      3   18   55   83  119  121  121  121  121  122  122  122  122  122  123  124  125  125  125  125 
LCS_AVERAGE  LCS_A:  77.66  (  50.13   87.16   95.68 )

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     79    101    112    119    121    121    121    121    122    122    122    122    122    123    124    125    125    125    125 
GDT PERCENT_AT  32.58  59.85  76.52  84.85  90.15  91.67  91.67  91.67  91.67  92.42  92.42  92.42  92.42  92.42  93.18  93.94  94.70  94.70  94.70  94.70
GDT RMS_LOCAL    0.35   0.57   0.82   1.04   1.17   1.21   1.21   1.21   1.21   1.44   1.44   1.44   1.44   1.44   1.82   2.27   2.56   2.56   2.56   2.56
GDT RMS_ALL_AT   7.05   7.00   6.94   6.95   6.93   6.93   6.93   6.93   6.93   6.86   6.86   6.86   6.86   6.86   6.79   6.66   6.59   6.59   6.59   6.59

# Checking swapping
#   possible swapping detected:  F    11_A      F    11_A
#   possible swapping detected:  F    40_A      F    40_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  E   104_A      E   104_A
#   possible swapping detected:  E   112_A      E   112_A
#   possible swapping detected:  E   113_A      E   113_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     1_A      H     1_A    33.390     0    0.081   1.227    36.810    0.000    0.000
LGA    H     2_A      H     2_A    30.513     0    0.242   0.404    32.052    0.000    0.000
LGA    H     3_A      H     3_A    27.780     0    0.026   0.245    28.640    0.000    0.000
LGA    H     4_A      H     4_A    27.382     0    0.315   0.262    30.115    0.000    0.000
LGA    H     5_A      H     5_A    25.900     0    0.307   0.359    28.048    0.000    0.000
LGA    H     6_A      H     6_A    25.660     0    0.226   1.503    31.055    0.000    0.000
LGA    E     7_A      E     7_A    23.005     0    0.362   1.087    26.693    0.000    0.000
LGA    N     8_A      N     8_A    16.406     0    0.429   0.372    19.185    0.000    0.000
LGA    L     9_A      L     9_A    14.856     0    0.683   0.844    19.125    0.000    0.000
LGA    Y    10_A      Y    10_A    12.908     0    0.338   1.335    22.788    0.000    0.000
LGA    F    11_A      F    11_A     8.724     0    0.633   0.540    17.006   11.429    4.199
LGA    Q    12_A      Q    12_A     2.629     0    0.669   1.088     5.703   52.619   41.640
LGA    S    13_A      S    13_A     2.290     0    0.036   0.611     3.000   70.952   66.349
LGA    S    14_A      S    14_A     0.702     0    0.158   0.170     1.254   90.595   92.143
LGA    A    15_A      A    15_A     0.860     0    0.019   0.028     1.176   88.214   86.857
LGA    K    16_A      K    16_A     1.120     0    0.018   0.753     3.209   85.952   79.947
LGA    Q    17_A      Q    17_A     0.393     0    0.026   1.417     4.716   97.619   77.090
LGA    D    18_A      D    18_A     0.545     0    0.035   0.269     1.397   92.857   90.536
LGA    F    19_A      F    19_A     0.852     0    0.016   1.223     6.231   90.476   64.545
LGA    A    20_A      A    20_A     0.614     0    0.016   0.025     0.682   90.476   90.476
LGA    E    21_A      E    21_A     0.541     0    0.050   0.944     3.558   90.476   75.079
LGA    G    22_A      G    22_A     0.876     0    0.044   0.044     0.989   90.476   90.476
LGA    V    23_A      V    23_A     1.049     0    0.017   0.067     1.112   81.429   81.429
LGA    K    24_A      K    24_A     0.926     0    0.060   0.855     3.342   88.214   77.513
LGA    L    25_A      L    25_A     0.807     0    0.009   0.059     1.034   85.952   89.405
LGA    W    26_A      W    26_A     1.214     0    0.025   1.099     9.424   81.429   41.973
LGA    Q    27_A      Q    27_A     1.354     0    0.017   0.051     1.939   81.429   77.619
LGA    E    28_A      E    28_A     1.044     0    0.024   0.671     3.400   81.429   68.466
LGA    N    29_A      N    29_A     1.124     0    0.038   0.582     1.706   81.429   80.357
LGA    A    30_A      A    30_A     1.796     0    0.017   0.024     2.076   72.857   71.238
LGA    V    31_A      V    31_A     1.632     0    0.010   0.034     1.816   75.000   74.082
LGA    L    32_A      L    32_A     1.187     0    0.024   0.054     1.281   81.429   84.821
LGA    W    33_A      W    33_A     1.440     0    0.030   1.187     9.115   77.143   42.041
LGA    T    34_A      T    34_A     1.693     0    0.006   0.054     2.127   72.857   70.544
LGA    R    35_A      R    35_A     1.362     0    0.022   1.629     9.174   81.429   48.095
LGA    L    36_A      L    36_A     1.069     0    0.012   0.795     2.727   81.429   78.452
LGA    V    37_A      V    37_A     1.371     0    0.021   0.064     1.788   81.429   77.755
LGA    Q    38_A      Q    38_A     1.310     0    0.015   0.148     2.442   83.690   74.974
LGA    A    39_A      A    39_A     0.677     0    0.035   0.047     0.844   95.238   94.286
LGA    F    40_A      F    40_A     0.616     0    0.041   0.179     2.032   92.857   80.216
LGA    Q    41_A      Q    41_A     0.665     0    0.077   0.105     2.465   92.857   80.000
LGA    S    42_A      S    42_A     0.691     0    0.081   0.081     1.271   88.214   85.952
LGA    G    43_A      G    43_A     1.027     0    0.042   0.042     1.943   83.929   83.929
LGA    D    44_A      D    44_A     1.565     0    0.023   0.058     2.147   77.143   73.988
LGA    Q    45_A      Q    45_A     2.423     0    0.043   1.463     5.547   60.952   51.005
LGA    S    46_A      S    46_A     2.857     0    0.034   0.058     3.195   60.952   57.302
LGA    T    47_A      T    47_A     1.789     0    0.023   0.058     2.123   75.119   74.150
LGA    V    48_A      V    48_A     1.350     0    0.077   0.108     2.068   77.143   75.374
LGA    D    49_A      D    49_A     2.565     0    0.039   0.057     3.797   60.952   54.643
LGA    S    50_A      S    50_A     2.245     0    0.023   0.675     4.005   68.810   62.857
LGA    L    51_A      L    51_A     0.993     0    0.045   0.079     1.452   83.690   87.083
LGA    L    52_A      L    52_A     1.802     0    0.065   0.156     2.707   72.976   67.917
LGA    K    53_A      K    53_A     2.254     0    0.035   0.093     3.121   64.762   60.582
LGA    Q    54_A      Q    54_A     1.449     0    0.019   0.668     2.226   79.286   77.672
LGA    L    55_A      L    55_A     1.327     0    0.042   0.075     2.059   75.119   79.405
LGA    D    56_A      D    56_A     2.614     0    0.041   0.282     3.702   59.048   54.583
LGA    A    57_A      A    57_A     2.431     0    0.140   0.140     2.855   62.857   63.238
LGA    N    58_A      N    58_A     1.479     0    0.071   0.120     1.778   75.000   81.667
LGA    A    59_A      A    59_A     2.434     0    0.051   0.063     2.887   64.762   63.238
LGA    A    60_A      A    60_A     2.230     0    0.034   0.031     2.518   68.810   66.476
LGA    R    61_A      R    61_A     1.026     0    0.011   0.863     2.433   88.333   80.909
LGA    V    62_A      V    62_A     1.028     0    0.031   0.072     1.972   85.952   81.565
LGA    E    63_A      E    63_A     1.326     0    0.017   0.218     1.899   81.429   79.524
LGA    Q    64_A      Q    64_A     0.851     0    0.018   0.101     1.371   88.214   85.450
LGA    L    65_A      L    65_A     0.268     0    0.036   0.081     0.610   95.238   97.619
LGA    L    66_A      L    66_A     0.915     0    0.066   0.096     1.362   90.476   85.952
LGA    Q    67_A      Q    67_A     0.830     0    0.039   0.084     0.947   90.476   90.476
LGA    R    68_A      R    68_A     0.513     0    0.064   1.289     2.297   90.476   81.905
LGA    I    69_A      I    69_A     0.689     0    0.027   0.052     0.889   90.476   90.476
LGA    I    70_A      I    70_A     1.067     0    0.008   0.035     1.383   83.690   82.560
LGA    S    71_A      S    71_A     1.074     0    0.051   0.686     1.589   81.429   80.000
LGA    E    72_A      E    72_A     1.060     0    0.084   0.228     1.260   83.690   85.450
LGA    T    73_A      T    73_A     1.207     0    0.176   1.137     3.518   79.286   72.381
LGA    G    74_A      G    74_A     1.251     0    0.101   0.101     1.329   81.429   81.429
LGA    D    75_A      D    75_A     0.912     0    0.033   0.545     2.183   88.214   86.131
LGA    E    76_A      E    76_A     0.915     0    0.021   1.108     5.340   90.476   73.333
LGA    L    77_A      L    77_A     0.465     0    0.052   0.095     0.655   97.619   96.429
LGA    A    78_A      A    78_A     0.433     0    0.048   0.057     0.576   95.238   94.286
LGA    R    79_A      R    79_A     0.661     0    0.026   1.432     6.664   90.476   64.632
LGA    K    80_A      K    80_A     0.452     0    0.021   0.805     4.716   97.619   75.873
LGA    G    81_A      G    81_A     0.261     0    0.047   0.047     0.349  100.000  100.000
LGA    E    82_A      E    82_A     0.637     0    0.019   0.373     1.565   92.857   89.577
LGA    S    83_A      S    83_A     0.946     0    0.075   0.669     2.315   90.476   84.683
LGA    L    84_A      L    84_A     0.842     0    0.014   0.021     0.914   90.476   90.476
LGA    F    85_A      F    85_A     0.863     0    0.072   1.336     6.096   90.476   64.978
LGA    Q    86_A      Q    86_A     0.750     0    0.026   0.129     0.908   90.476   90.476
LGA    R    87_A      R    87_A     0.916     0    0.028   0.068     1.099   90.476   85.541
LGA    N    88_A      N    88_A     0.816     0    0.022   0.073     0.867   90.476   90.476
LGA    Q    89_A      Q    89_A     0.829     0    0.035   0.709     1.986   90.476   86.561
LGA    Q    90_A      Q    90_A     0.955     0    0.049   0.051     1.020   88.214   89.471
LGA    L    91_A      L    91_A     1.082     0    0.073   0.104     1.159   81.429   81.429
LGA    F    92_A      F    92_A     1.051     0    0.018   1.031     5.406   81.429   63.333
LGA    S    93_A      S    93_A     0.978     0    0.073   0.679     1.514   88.214   84.524
LGA    Q    94_A      Q    94_A     0.735     0    0.043   0.881     2.994   92.857   81.270
LGA    L    95_A      L    95_A     0.816     0    0.048   1.372     2.698   90.476   81.964
LGA    K    96_A      K    96_A     0.628     0    0.049   0.794     5.017   90.476   69.365
LGA    T    97_A      T    97_A     0.369     0    0.038   0.077     0.477  100.000  100.000
LGA    L    98_A      L    98_A     0.268     0    0.023   0.085     0.577  100.000   98.810
LGA    F    99_A      F    99_A     0.453     0    0.098   0.285     1.466   97.619   92.338
LGA    S   100_A      S   100_A     0.263     0    0.100   0.669     2.167  100.000   94.127
LGA    Q   101_A      Q   101_A     0.433     0    0.120   0.224     1.059   97.619   95.820
LGA    G   102_A      G   102_A     0.515     0    0.074   0.074     0.664   92.857   92.857
LGA    D   103_A      D   103_A     0.359     0    0.045   0.119     0.537   97.619   96.429
LGA    E   104_A      E   104_A     1.051     0    0.060   0.197     2.795   88.214   76.138
LGA    D   105_A      D   105_A     0.917     0    0.017   0.137     1.586   90.476   84.881
LGA    T   106_A      T   106_A     0.539     0    0.008   0.118     0.747   92.857   94.558
LGA    A   107_A      A   107_A     0.385     0    0.021   0.026     0.467  100.000  100.000
LGA    K   108_A      K   108_A     0.600     0    0.017   1.200     6.032   90.476   72.487
LGA    A   109_A      A   109_A     0.629     0    0.030   0.045     0.629   90.476   90.476
LGA    V   110_A      V   110_A     0.463     0    0.010   0.046     0.602   97.619   94.558
LGA    L   111_A      L   111_A     0.438     0    0.034   0.070     0.495  100.000  100.000
LGA    E   112_A      E   112_A     0.381     0    0.020   0.110     0.690  100.000   98.942
LGA    E   113_A      E   113_A     0.392     0    0.012   0.113     1.032  100.000   93.704
LGA    I   114_A      I   114_A     0.413     0    0.025   0.061     0.689  100.000   97.619
LGA    Q   115_A      Q   115_A     0.296     0    0.040   0.272     2.792  100.000   87.143
LGA    S   116_A      S   116_A     0.399     0    0.111   0.566     1.988  100.000   95.476
LGA    N   117_A      N   117_A     0.535     0    0.010   0.063     0.756   97.619   94.048
LGA    L   118_A      L   118_A     0.381     0    0.033   0.050     0.739  100.000   96.429
LGA    N   119_A      N   119_A     0.288     0    0.012   0.091     0.535  100.000   98.810
LGA    Q   120_A      Q   120_A     0.469     0    0.022   0.689     2.368   97.619   89.788
LGA    I   121_A      I   121_A     0.340     0    0.037   0.066     0.783  100.000   97.619
LGA    Q   122_A      Q   122_A     0.358     0    0.030   0.914     3.721   95.238   78.413
LGA    Q   123_A      Q   123_A     0.800     0    0.028   0.081     1.134   88.214   86.455
LGA    I   124_A      I   124_A     0.831     0    0.038   0.669     1.665   90.476   87.143
LGA    I   125_A      I   125_A     0.480     0    0.015   0.046     0.744   95.238   96.429
LGA    T   126_A      T   126_A     0.976     0    0.066   0.097     1.506   85.952   84.082
LGA    E   127_A      E   127_A     1.051     0    0.068   0.983     3.467   81.548   74.339
LGA    A   128_A      A   128_A     1.213     0    0.042   0.056     1.682   79.286   81.524
LGA    Q   129_A      Q   129_A     1.620     0    0.033   1.275     6.064   72.976   56.402
LGA    K   130_A      K   130_A     2.158     0    0.100   0.123     2.444   66.786   65.661
LGA    R   131_A      R   131_A     2.377     0    0.079   1.456     4.958   62.857   56.104
LGA    L   132_A      L   132_A     2.727     0    0.423   0.451     4.019   50.357   59.583

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      132     528    528  100.00    1072   1072  100.00               132
SUMMARY(RMSD_GDC):     6.050          5.979                  6.966           78.718   73.738

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  132    4.0    121    1.21    82.576    86.606     9.206

LGA_LOCAL      RMSD:   1.214  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   6.929  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   6.050  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.946132 * X  +   0.004046 * Y  +  -0.323755 * Z  + -22.029770
  Y_new =   0.103082 * X  +  -0.951657 * Y  +   0.289350 * Z  +  13.973598
  Z_new =  -0.306933 * X  +  -0.307136 * Y  +  -0.900810 * Z  +  -5.404060 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.108523  0.311968 -2.812998   [DEG:    6.2179   17.8745 -161.1729 ]
ZXZ: -2.300137  2.692429 -2.356526   [DEG: -131.7882  154.2648 -135.0190 ]
 
# END of job
