
#######################################################
#                                                     #
#                        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       4.69     6.36
  LCS_AVERAGE:     95.68

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      10_A - 132_A       1.70     7.01
  LCS_AVERAGE:     87.17

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    82      50_A - 131_A       0.99     7.21
  LONGEST_CONTINUOUS_SEGMENT:    82      51_A - 132_A       0.98     7.22
  LCS_AVERAGE:     54.55

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    4    5    6    7    7    7    8    8    8    8    8    9    9   10   12   14   16   17   22 
LCS_GDT     H     2_A     H     2_A      4    7   10      3    4    5    6    7    7    7    8    8    8    8    9    9   11   16   17   20   21   35   39 
LCS_GDT     H     3_A     H     3_A      4    7   10      3    4    4    5    7    7    7    8    8    8    8   10   10   14   16   18   29   29   43   49 
LCS_GDT     H     4_A     H     4_A      4    7  129      3    4    5    6    7    7    7    8   15   17   18   24   25   28   36   37   42   42   56   60 
LCS_GDT     H     5_A     H     5_A      4    7  129      3    3    4    6    7    7    7    8    8   10   12   19   22   28   29   32   42   42   45   60 
LCS_GDT     H     6_A     H     6_A      4    7  129      3    4    5    6    7    7   10   11   12   13   20   24   29   33   37   39   42   52   56   60 
LCS_GDT     E     7_A     E     7_A      4    7  129      3    4    5    6    7    9   15   19   24   29   33   38   45   50   62   76   89  101  112  117 
LCS_GDT     N     8_A     N     8_A      4    5  129      3    3    4    4   13   18   21   35   45   62   73   94  107  119  121  124  125  125  125  125 
LCS_GDT     L     9_A     L     9_A      3    5  129      3    3    3    5    7   11   15   17   27   41   49   70   87  102  120  124  125  125  125  125 
LCS_GDT     Y    10_A     Y    10_A      3  123  129      3    4    5    5   13   20   30   38   45   64   82  103  117  123  123  124  125  125  125  125 
LCS_GDT     F    11_A     F    11_A      3  123  129      3    5   18   33   52   72   94  111  119  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q    12_A     Q    12_A     63  123  129      8   34   99  116  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     S    13_A     S    13_A     63  123  129     10   40  100  116  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     S    14_A     S    14_A     70  123  129     21   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     A    15_A     A    15_A     70  123  129     15   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     K    16_A     K    16_A     70  123  129     23   76  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q    17_A     Q    17_A     70  123  129     23   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     D    18_A     D    18_A     70  123  129     23   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     F    19_A     F    19_A     70  123  129     23   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     A    20_A     A    20_A     70  123  129     23   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     E    21_A     E    21_A     70  123  129     23   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     G    22_A     G    22_A     70  123  129     21   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     V    23_A     V    23_A     70  123  129     21   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     K    24_A     K    24_A     70  123  129     23   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     L    25_A     L    25_A     70  123  129     23   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     W    26_A     W    26_A     70  123  129     23   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q    27_A     Q    27_A     70  123  129     36   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     E    28_A     E    28_A     70  123  129     23   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     N    29_A     N    29_A     70  123  129     23   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     A    30_A     A    30_A     70  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     V    31_A     V    31_A     70  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     L    32_A     L    32_A     70  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     W    33_A     W    33_A     70  123  129     23   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     T    34_A     T    34_A     70  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     R    35_A     R    35_A     70  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     L    36_A     L    36_A     70  123  129     23   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     V    37_A     V    37_A     70  123  129     23   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q    38_A     Q    38_A     70  123  129     23   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     A    39_A     A    39_A     70  123  129     23   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     F    40_A     F    40_A     70  123  129     21   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q    41_A     Q    41_A     70  123  129     23   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     S    42_A     S    42_A     70  123  129     39   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     G    43_A     G    43_A     70  123  129     21   85  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     D    44_A     D    44_A     70  123  129     21   75  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q    45_A     Q    45_A     70  123  129     11   48   85  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     S    46_A     S    46_A     70  123  129     11   40   85  116  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     T    47_A     T    47_A     70  123  129     21   63  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     V    48_A     V    48_A     70  123  129     11   71  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     D    49_A     D    49_A     81  123  129     19   51   91  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     S    50_A     S    50_A     82  123  129     21   53  107  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     L    51_A     L    51_A     82  123  129     21   81  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     L    52_A     L    52_A     82  123  129     16   59  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     K    53_A     K    53_A     82  123  129     21   53  107  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q    54_A     Q    54_A     82  123  129     21   63  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     L    55_A     L    55_A     82  123  129     21   65  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     D    56_A     D    56_A     82  123  129     21   46   87  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     A    57_A     A    57_A     82  123  129     21   48   95  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     N    58_A     N    58_A     82  123  129     21   67  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     A    59_A     A    59_A     82  123  129     21   46  100  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     A    60_A     A    60_A     82  123  129     21   48   90  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     R    61_A     R    61_A     82  123  129     20   76  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     V    62_A     V    62_A     82  123  129     19   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     E    63_A     E    63_A     82  123  129     14   64  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q    64_A     Q    64_A     82  123  129     15   75  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     L    65_A     L    65_A     82  123  129     24   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     L    66_A     L    66_A     82  123  129     19   81  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q    67_A     Q    67_A     82  123  129     19   81  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     R    68_A     R    68_A     82  123  129     24   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     I    69_A     I    69_A     82  123  129     24   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     I    70_A     I    70_A     82  123  129     11   81  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     S    71_A     S    71_A     82  123  129     12   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     E    72_A     E    72_A     82  123  129     14   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     T    73_A     T    73_A     82  123  129     14   85  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     G    74_A     G    74_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     D    75_A     D    75_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     E    76_A     E    76_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     L    77_A     L    77_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     A    78_A     A    78_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     R    79_A     R    79_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     K    80_A     K    80_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     G    81_A     G    81_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     E    82_A     E    82_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     S    83_A     S    83_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     L    84_A     L    84_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     F    85_A     F    85_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q    86_A     Q    86_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     R    87_A     R    87_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     N    88_A     N    88_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q    89_A     Q    89_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q    90_A     Q    90_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     L    91_A     L    91_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     F    92_A     F    92_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     S    93_A     S    93_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q    94_A     Q    94_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     L    95_A     L    95_A     82  123  129     39   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     K    96_A     K    96_A     82  123  129     21   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     T    97_A     T    97_A     82  123  129     21   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     L    98_A     L    98_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     F    99_A     F    99_A     82  123  129     21   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     S   100_A     S   100_A     82  123  129     21   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q   101_A     Q   101_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     G   102_A     G   102_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     D   103_A     D   103_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     E   104_A     E   104_A     82  123  129     19   83  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     D   105_A     D   105_A     82  123  129     21   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     T   106_A     T   106_A     82  123  129     35   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     A   107_A     A   107_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     K   108_A     K   108_A     82  123  129     37   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     A   109_A     A   109_A     82  123  129     37   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     V   110_A     V   110_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     L   111_A     L   111_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     E   112_A     E   112_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     E   113_A     E   113_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     I   114_A     I   114_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q   115_A     Q   115_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     S   116_A     S   116_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     N   117_A     N   117_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     L   118_A     L   118_A     82  123  129     35   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     N   119_A     N   119_A     82  123  129     35   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q   120_A     Q   120_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     I   121_A     I   121_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q   122_A     Q   122_A     82  123  129     35   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q   123_A     Q   123_A     82  123  129     35   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     I   124_A     I   124_A     82  123  129     41   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     I   125_A     I   125_A     82  123  129     37   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     T   126_A     T   126_A     82  123  129     26   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     E   127_A     E   127_A     82  123  129     26   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     A   128_A     A   128_A     82  123  129     24   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     Q   129_A     Q   129_A     82  123  129     16   86  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     K   130_A     K   130_A     82  123  129     18   34  108  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     R   131_A     R   131_A     82  123  129      7   34  104  117  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_GDT     L   132_A     L   132_A     82  123  129      3   18   49  114  121  121  121  121  121  122  122  122  122  123  123  124  125  125  125  125 
LCS_AVERAGE  LCS_A:  79.13  (  54.55   87.17   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     41     86    108    117    121    121    121    121    121    122    122    122    122    123    123    124    125    125    125    125 
GDT PERCENT_AT  31.06  65.15  81.82  88.64  91.67  91.67  91.67  91.67  91.67  92.42  92.42  92.42  92.42  93.18  93.18  93.94  94.70  94.70  94.70  94.70
GDT RMS_LOCAL    0.38   0.65   0.86   1.03   1.10   1.10   1.10   1.10   1.10   1.33   1.33   1.33   1.33   1.70   1.70   2.13   2.42   2.42   2.42   2.42
GDT RMS_ALL_AT   7.23   7.21   7.17   7.17   7.15   7.15   7.15   7.15   7.15   7.08   7.08   7.08   7.08   7.01   7.01   6.90   6.83   6.83   6.83   6.83

# Checking swapping
#   possible swapping detected:  F    11_A      F    11_A
#   possible swapping detected:  F    19_A      F    19_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:  D    75_A      D    75_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  F    92_A      F    92_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
#   possible swapping detected:  E   127_A      E   127_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H     1_A      H     1_A    35.126     0    0.150   1.056    38.811    0.000    0.000
LGA    H     2_A      H     2_A    32.898     0    0.101   0.465    36.640    0.000    0.000
LGA    H     3_A      H     3_A    29.254     0    0.175   0.381    30.447    0.000    0.000
LGA    H     4_A      H     4_A    28.872     0    0.428   0.410    31.211    0.000    0.000
LGA    H     5_A      H     5_A    26.887     0    0.132   0.688    29.214    0.000    0.000
LGA    H     6_A      H     6_A    26.408     0    0.352   1.491    32.709    0.000    0.000
LGA    E     7_A      E     7_A    22.233     0    0.007   1.071    23.952    0.000    0.000
LGA    N     8_A      N     8_A    15.566     0    0.408   0.545    18.300    0.000    0.000
LGA    L     9_A      L     9_A    14.403     0    0.695   0.747    19.031    0.000    0.000
LGA    Y    10_A      Y    10_A    12.348     0    0.325   1.307    22.513    0.119    0.040
LGA    F    11_A      F    11_A     8.426     0    0.656   0.454    16.695   12.024    4.416
LGA    Q    12_A      Q    12_A     2.128     0    0.677   1.091     4.632   56.429   50.053
LGA    S    13_A      S    13_A     2.428     0    0.034   0.122     2.914   68.810   64.921
LGA    S    14_A      S    14_A     1.070     0    0.162   0.227     1.506   86.190   86.111
LGA    A    15_A      A    15_A     0.481     0    0.025   0.025     0.787   92.857   92.381
LGA    K    16_A      K    16_A     1.086     0    0.025   0.767     3.403   85.952   79.947
LGA    Q    17_A      Q    17_A     0.588     0    0.024   1.419     5.006   95.238   72.857
LGA    D    18_A      D    18_A     0.372     0    0.027   0.211     0.818  100.000   98.810
LGA    F    19_A      F    19_A     0.719     0    0.013   0.146     1.081   90.476   88.831
LGA    A    20_A      A    20_A     0.726     0    0.018   0.024     0.752   90.476   90.476
LGA    E    21_A      E    21_A     0.518     0    0.036   0.976     3.853   90.476   76.931
LGA    G    22_A      G    22_A     0.786     0    0.041   0.041     0.877   90.476   90.476
LGA    V    23_A      V    23_A     0.922     0    0.009   0.031     1.052   90.476   87.891
LGA    K    24_A      K    24_A     0.705     0    0.064   0.858     3.456   90.476   78.519
LGA    L    25_A      L    25_A     0.657     0    0.013   0.047     0.749   90.476   91.667
LGA    W    26_A      W    26_A     0.862     0    0.039   1.647     6.543   90.476   66.667
LGA    Q    27_A      Q    27_A     0.668     0    0.015   0.072     1.043   90.476   89.471
LGA    E    28_A      E    28_A     0.737     0    0.020   0.677     3.643   90.476   71.746
LGA    N    29_A      N    29_A     0.777     0    0.028   0.116     0.974   90.476   90.476
LGA    A    30_A      A    30_A     0.856     0    0.019   0.025     0.965   90.476   90.476
LGA    V    31_A      V    31_A     0.747     0    0.010   0.035     0.806   90.476   90.476
LGA    L    32_A      L    32_A     0.803     0    0.016   0.028     0.959   90.476   90.476
LGA    W    33_A      W    33_A     0.997     0    0.051   1.116     8.198   90.476   49.320
LGA    T    34_A      T    34_A     0.806     0    0.005   0.069     0.909   90.476   90.476
LGA    R    35_A      R    35_A     0.941     0    0.018   1.617     8.850   90.476   52.424
LGA    L    36_A      L    36_A     0.942     0    0.009   0.938     3.144   85.952   80.952
LGA    V    37_A      V    37_A     1.144     0    0.026   0.050     1.371   81.429   81.429
LGA    Q    38_A      Q    38_A     1.065     0    0.015   0.157     1.719   85.952   82.487
LGA    A    39_A      A    39_A     0.864     0    0.013   0.021     0.955   90.476   90.476
LGA    F    40_A      F    40_A     0.948     0    0.027   0.144     1.909   90.476   80.823
LGA    Q    41_A      Q    41_A     1.002     0    0.068   0.102     2.220   88.214   79.735
LGA    S    42_A      S    42_A     0.766     0    0.110   0.109     1.197   88.214   88.968
LGA    G    43_A      G    43_A     0.849     0    0.076   0.076     1.575   86.190   86.190
LGA    D    44_A      D    44_A     1.240     0    0.017   0.060     1.835   81.548   79.345
LGA    Q    45_A      Q    45_A     2.498     0    0.068   1.514     5.934   64.762   49.894
LGA    S    46_A      S    46_A     2.682     0    0.023   0.059     2.985   60.952   59.683
LGA    T    47_A      T    47_A     1.436     0    0.026   0.067     1.798   79.286   78.980
LGA    V    48_A      V    48_A     1.185     0    0.037   0.076     1.910   81.429   78.980
LGA    D    49_A      D    49_A     2.228     0    0.031   0.073     3.291   66.786   61.071
LGA    S    50_A      S    50_A     1.947     0    0.027   0.663     3.778   72.857   66.587
LGA    L    51_A      L    51_A     0.903     0    0.051   0.079     1.290   88.214   90.536
LGA    L    52_A      L    52_A     1.459     0    0.033   0.091     1.946   77.143   75.000
LGA    K    53_A      K    53_A     1.827     0    0.021   0.085     2.362   72.857   69.259
LGA    Q    54_A      Q    54_A     1.309     0    0.018   0.648     1.877   81.429   79.524
LGA    L    55_A      L    55_A     1.157     0    0.014   0.124     1.551   79.286   82.619
LGA    D    56_A      D    56_A     2.162     0    0.045   0.279     2.937   66.786   61.964
LGA    A    57_A      A    57_A     1.960     0    0.031   0.029     1.977   72.857   72.857
LGA    N    58_A      N    58_A     1.170     0    0.038   0.122     1.424   81.429   85.952
LGA    A    59_A      A    59_A     1.842     0    0.059   0.071     2.154   72.857   71.238
LGA    A    60_A      A    60_A     2.164     0    0.022   0.025     2.469   68.810   68.000
LGA    R    61_A      R    61_A     1.053     0    0.018   1.088     6.427   85.952   66.104
LGA    V    62_A      V    62_A     0.861     0    0.011   0.072     1.585   90.476   86.667
LGA    E    63_A      E    63_A     1.424     0    0.016   0.077     2.107   81.429   75.767
LGA    Q    64_A      Q    64_A     1.167     0    0.021   0.213     1.870   85.952   79.630
LGA    L    65_A      L    65_A     0.341     0    0.034   0.060     0.588   92.857   95.238
LGA    L    66_A      L    66_A     0.994     0    0.069   0.158     1.595   90.476   84.881
LGA    Q    67_A      Q    67_A     0.921     0    0.040   0.073     1.558   90.476   84.497
LGA    R    68_A      R    68_A     0.332     0    0.070   1.492     4.807   95.238   80.390
LGA    I    69_A      I    69_A     0.731     0    0.029   0.069     1.036   90.476   89.345
LGA    I    70_A      I    70_A     1.105     0    0.011   0.039     1.388   83.690   82.560
LGA    S    71_A      S    71_A     0.875     0    0.051   0.681     1.574   90.476   87.540
LGA    E    72_A      E    72_A     0.978     0    0.096   0.209     1.036   85.952   89.524
LGA    T    73_A      T    73_A     1.229     0    0.172   1.146     3.726   79.286   72.381
LGA    G    74_A      G    74_A     1.055     0    0.109   0.109     1.275   81.429   81.429
LGA    D    75_A      D    75_A     1.049     0    0.043   0.755     2.289   85.952   80.536
LGA    E    76_A      E    76_A     0.991     0    0.020   0.858     4.456   90.476   72.116
LGA    L    77_A      L    77_A     0.624     0    0.050   0.091     0.806   90.476   90.476
LGA    A    78_A      A    78_A     0.641     0    0.045   0.056     0.741   90.476   90.476
LGA    R    79_A      R    79_A     0.789     0    0.027   1.435     6.943   90.476   64.156
LGA    K    80_A      K    80_A     0.673     0    0.032   0.799     4.414   90.476   72.910
LGA    G    81_A      G    81_A     0.498     0    0.047   0.047     0.631   92.857   92.857
LGA    E    82_A      E    82_A     0.866     0    0.016   0.452     1.776   85.952   84.497
LGA    S    83_A      S    83_A     1.179     0    0.087   0.559     2.296   81.429   78.651
LGA    L    84_A      L    84_A     1.214     0    0.017   0.026     1.379   81.429   81.429
LGA    F    85_A      F    85_A     1.172     0    0.072   1.294     5.982   81.429   62.078
LGA    Q    86_A      Q    86_A     0.967     0    0.031   0.202     1.205   85.952   87.460
LGA    R    87_A      R    87_A     1.156     0    0.025   0.072     1.471   81.429   81.429
LGA    N    88_A      N    88_A     1.140     0    0.029   0.169     1.378   81.429   81.429
LGA    Q    89_A      Q    89_A     0.974     0    0.025   0.553     1.772   88.214   87.513
LGA    Q    90_A      Q    90_A     0.972     0    0.039   0.093     1.021   88.214   89.471
LGA    L    91_A      L    91_A     1.048     0    0.060   0.089     1.139   83.690   82.560
LGA    F    92_A      F    92_A     1.004     0    0.012   0.117     1.727   85.952   80.736
LGA    S    93_A      S    93_A     0.946     0    0.100   0.694     1.699   90.476   86.032
LGA    Q    94_A      Q    94_A     0.609     0    0.034   0.879     3.142   92.857   79.683
LGA    L    95_A      L    95_A     0.900     0    0.024   1.382     2.888   90.476   80.833
LGA    K    96_A      K    96_A     0.868     0    0.043   0.799     5.769   90.476   66.138
LGA    T    97_A      T    97_A     0.558     0    0.020   0.039     0.668   92.857   94.558
LGA    L    98_A      L    98_A     0.522     0    0.007   0.060     0.780   92.857   91.667
LGA    F    99_A      F    99_A     0.720     0    0.099   1.435     5.485   90.476   70.303
LGA    S   100_A      S   100_A     0.538     0    0.108   0.657     1.902   95.238   90.714
LGA    Q   101_A      Q   101_A     0.433     0    0.124   0.215     1.347   92.976   92.698
LGA    G   102_A      G   102_A     0.637     0    0.072   0.072     1.145   90.595   90.595
LGA    D   103_A      D   103_A     0.737     0    0.027   0.120     0.995   90.476   90.476
LGA    E   104_A      E   104_A     1.427     0    0.051   0.184     3.199   81.429   69.735
LGA    D   105_A      D   105_A     1.288     0    0.007   0.099     1.864   81.429   78.214
LGA    T   106_A      T   106_A     0.857     0    0.006   0.119     0.991   90.476   90.476
LGA    A   107_A      A   107_A     0.704     0    0.021   0.027     0.816   90.476   90.476
LGA    K   108_A      K   108_A     0.919     0    0.016   1.168     6.230   90.476   71.587
LGA    A   109_A      A   109_A     0.844     0    0.031   0.045     0.876   90.476   90.476
LGA    V   110_A      V   110_A     0.548     0    0.011   0.063     0.689   90.476   90.476
LGA    L   111_A      L   111_A     0.729     0    0.023   0.058     0.848   90.476   90.476
LGA    E   112_A      E   112_A     0.658     0    0.021   0.087     0.871   90.476   90.476
LGA    E   113_A      E   113_A     0.618     0    0.010   0.138     1.189   90.476   89.471
LGA    I   114_A      I   114_A     0.633     0    0.058   0.135     0.937   90.476   90.476
LGA    Q   115_A      Q   115_A     0.503     0    0.032   0.949     3.786   90.476   80.000
LGA    S   116_A      S   116_A     0.683     0    0.119   0.556     2.022   90.476   86.190
LGA    N   117_A      N   117_A     0.849     0    0.024   0.043     1.225   90.476   85.952
LGA    L   118_A      L   118_A     0.802     0    0.057   0.097     1.109   90.476   89.345
LGA    N   119_A      N   119_A     0.430     0    0.015   0.054     0.571   97.619   95.238
LGA    Q   120_A      Q   120_A     0.443     0    0.025   0.655     2.177  100.000   90.847
LGA    I   121_A      I   121_A     0.528     0    0.011   0.053     1.227   97.619   91.786
LGA    Q   122_A      Q   122_A     0.512     0    0.018   0.884     3.625   95.238   78.413
LGA    Q   123_A      Q   123_A     0.600     0    0.043   0.138     1.218   92.857   90.529
LGA    I   124_A      I   124_A     0.613     0    0.036   0.638     1.835   92.857   88.333
LGA    I   125_A      I   125_A     0.377     0    0.007   0.088     1.278  100.000   94.107
LGA    T   126_A      T   126_A     0.733     0    0.054   0.090     1.359   90.476   87.891
LGA    E   127_A      E   127_A     0.705     0    0.052   0.841     3.274   88.214   77.619
LGA    A   128_A      A   128_A     0.597     0    0.020   0.043     0.982   90.476   92.381
LGA    Q   129_A      Q   129_A     1.068     0    0.021   1.231     5.777   81.548   61.640
LGA    K   130_A      K   130_A     1.611     0    0.123   0.125     1.926   75.000   73.810
LGA    R   131_A      R   131_A     1.744     0    0.122   1.473     5.197   72.857   60.260
LGA    L   132_A      L   132_A     1.982     0    0.452   0.462     3.334   63.095   73.393

# 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):     6.233          6.164                  7.168           79.311   74.465

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  132    4.0    121    1.10    84.848    87.807    10.103

LGA_LOCAL      RMSD:   1.098  Number of atoms:  121  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.145  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   6.233  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.500894 * X  +   0.063076 * Y  +  -0.863207 * Z  + -21.930155
  Y_new =  -0.272193 * X  +   0.958217 * Y  +  -0.087927 * Z  +  16.326691
  Z_new =   0.821594 * X  +   0.279001 * Y  +   0.497134 * Z  +  -7.287424 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.497773 -0.964201  0.511416   [DEG:  -28.5203  -55.2447   29.3020 ]
ZXZ: -1.469285  1.050504  1.243430   [DEG:  -84.1839   60.1894   71.2433 ]
 
# END of job
