
#######################################################
#                                                     #
#                        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:   132       1_A - 132_A       4.30     4.30
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   123      10_A - 132_A       2.00     4.60
  LCS_AVERAGE:     87.06

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    59      12_A - 70_A        0.90     4.98
  LCS_AVERAGE:     39.62

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      3    3  132      0    3    3    3    3    3    5    7    8    8    9   10   11   11   16   17   18   19   19   26 
LCS_GDT     H     2_A     H     2_A      4    5  132      3    4    4    5    5    6    7    8   11   11   12   13   16   16   18   20   98  101  109  114 
LCS_GDT     H     3_A     H     3_A      4    5  132      3    4    4    5    5    7    7    8   11   12   12   14   17   18  105  112  117  123  124  125 
LCS_GDT     H     4_A     H     4_A      4    5  132      3    4    4    5    5    7    8   10   15   17   28   43   47  102  105  119  120  125  127  127 
LCS_GDT     H     5_A     H     5_A      4    5  132      3    4    5    6    9   14   18   23   38   57   81   90  110  116  123  124  125  126  127  127 
LCS_GDT     H     6_A     H     6_A      4    5  132      3    3    4    5    5    7    7   10   15   21   27   41   48   63   75   87  107  122  124  127 
LCS_GDT     E     7_A     E     7_A      4    5  132      3    3    4    4    5    7    7    9   12   15   20   26   33   46   61   76  100  111  124  127 
LCS_GDT     N     8_A     N     8_A      4    4  132      3    3    4    4    5    6    7   59   88  104  113  118  119  122  124  125  125  126  127  127 
LCS_GDT     L     9_A     L     9_A      3    3  132      3    3    4    4    4    7    7   24   60   86  113  118  118  123  124  125  125  126  127  127 
LCS_GDT     Y    10_A     Y    10_A      3  123  132      3    3    4    4    6    7   15   33   70  104  113  118  118  123  124  125  125  126  127  127 
LCS_GDT     F    11_A     F    11_A      3  123  132      3    8   25   45   73   97  109  116  118  120  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q    12_A     Q    12_A     59  123  132     26   44   79  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     S    13_A     S    13_A     59  123  132     23   44   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     S    14_A     S    14_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     A    15_A     A    15_A     59  123  132     28   44   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     K    16_A     K    16_A     59  123  132     28   44   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q    17_A     Q    17_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     D    18_A     D    18_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     F    19_A     F    19_A     59  123  132     28   44   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     A    20_A     A    20_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     E    21_A     E    21_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     G    22_A     G    22_A     59  123  132     28   44   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     V    23_A     V    23_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     K    24_A     K    24_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     L    25_A     L    25_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     W    26_A     W    26_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q    27_A     Q    27_A     59  123  132     25   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     E    28_A     E    28_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     N    29_A     N    29_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     A    30_A     A    30_A     59  123  132     25   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     V    31_A     V    31_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     L    32_A     L    32_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     W    33_A     W    33_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     T    34_A     T    34_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     R    35_A     R    35_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     L    36_A     L    36_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     V    37_A     V    37_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q    38_A     Q    38_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     A    39_A     A    39_A     59  123  132     25   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     F    40_A     F    40_A     59  123  132     22   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q    41_A     Q    41_A     59  123  132     28   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     S    42_A     S    42_A     59  123  132     20   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     G    43_A     G    43_A     59  123  132     18   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     D    44_A     D    44_A     59  123  132     18   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q    45_A     Q    45_A     59  123  132     12   34   62  102  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     S    46_A     S    46_A     59  123  132     12   36   62  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     T    47_A     T    47_A     59  123  132     18   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     V    48_A     V    48_A     59  123  132     12   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     D    49_A     D    49_A     59  123  132     12   47   77  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     S    50_A     S    50_A     59  123  132     18   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     L    51_A     L    51_A     59  123  132     18   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     L    52_A     L    52_A     59  123  132     12   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     K    53_A     K    53_A     59  123  132     14   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q    54_A     Q    54_A     59  123  132     18   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     L    55_A     L    55_A     59  123  132     18   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     D    56_A     D    56_A     59  123  132     18   47   77  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     A    57_A     A    57_A     59  123  132     18   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     N    58_A     N    58_A     59  123  132     14   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     A    59_A     A    59_A     59  123  132     18   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     A    60_A     A    60_A     59  123  132     14   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     R    61_A     R    61_A     59  123  132     14   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     V    62_A     V    62_A     59  123  132     12   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     E    63_A     E    63_A     59  123  132     14   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q    64_A     Q    64_A     59  123  132     14   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     L    65_A     L    65_A     59  123  132     14   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     L    66_A     L    66_A     59  123  132     14   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q    67_A     Q    67_A     59  123  132     14   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     R    68_A     R    68_A     59  123  132     14   46   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     I    69_A     I    69_A     59  123  132      6   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     I    70_A     I    70_A     59  123  132      8   44   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     S    71_A     S    71_A      5  123  132      3    5   41   74  107  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     E    72_A     E    72_A      5  123  132      3    5   20   56   88  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     T    73_A     T    73_A      5  123  132      3    5   14   31   78  116  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     G    74_A     G    74_A      4  123  132      3   13   18   32   66   85  100  120  121  121  121  122  122  122  124  125  125  126  127  127 
LCS_GDT     D    75_A     D    75_A     58  123  132      8   49   58   72  107  117  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     E    76_A     E    76_A     58  123  132     23   50   69   92  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     L    77_A     L    77_A     58  123  132     11   50   82  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     A    78_A     A    78_A     58  123  132     11   49   58   86  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     R    79_A     R    79_A     58  123  132     19   50   68   88  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     K    80_A     K    80_A     58  123  132     21   50   78  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     G    81_A     G    81_A     58  123  132     10   50   72  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     E    82_A     E    82_A     58  123  132     16   50   70   98  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     S    83_A     S    83_A     58  123  132     13   50   65   91  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     L    84_A     L    84_A     58  123  132     13   50   72  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     F    85_A     F    85_A     58  123  132     10   50   59   91  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q    86_A     Q    86_A     58  123  132     16   43   58   80  109  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     R    87_A     R    87_A     58  123  132     11   50   72  102  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     N    88_A     N    88_A     58  123  132     25   50   72  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q    89_A     Q    89_A     58  123  132     23   50   73  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q    90_A     Q    90_A     58  123  132     23   50   79  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     L    91_A     L    91_A     58  123  132     28   50   79  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     F    92_A     F    92_A     58  123  132     28   50   79  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     S    93_A     S    93_A     58  123  132     28   50   79  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q    94_A     Q    94_A     58  123  132     23   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     L    95_A     L    95_A     58  123  132     13   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     K    96_A     K    96_A     58  123  132     11   46   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     T    97_A     T    97_A     58  123  132     13   49   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     L    98_A     L    98_A     58  123  132     23   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     F    99_A     F    99_A     58  123  132     21   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     S   100_A     S   100_A     58  123  132     13   48   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q   101_A     Q   101_A     58  123  132     20   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     G   102_A     G   102_A     58  123  132     23   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     D   103_A     D   103_A     58  123  132     23   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     E   104_A     E   104_A     58  123  132     21   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     D   105_A     D   105_A     58  123  132     23   50   73  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     T   106_A     T   106_A     58  123  132     23   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     A   107_A     A   107_A     58  123  132     23   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     K   108_A     K   108_A     58  123  132     23   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     A   109_A     A   109_A     58  123  132     23   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     V   110_A     V   110_A     58  123  132     23   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     L   111_A     L   111_A     58  123  132     23   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     E   112_A     E   112_A     58  123  132     23   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     E   113_A     E   113_A     58  123  132     23   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     I   114_A     I   114_A     58  123  132     25   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q   115_A     Q   115_A     58  123  132     23   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     S   116_A     S   116_A     58  123  132     23   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     N   117_A     N   117_A     58  123  132     28   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     L   118_A     L   118_A     58  123  132     21   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     N   119_A     N   119_A     58  123  132     21   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q   120_A     Q   120_A     58  123  132     23   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     I   121_A     I   121_A     58  123  132     21   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q   122_A     Q   122_A     58  123  132     15   50   77  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q   123_A     Q   123_A     58  123  132     21   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     I   124_A     I   124_A     58  123  132     23   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     I   125_A     I   125_A     58  123  132     15   50   62  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     T   126_A     T   126_A     58  123  132     15   50   77  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     E   127_A     E   127_A     58  123  132     21   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     A   128_A     A   128_A     58  123  132     21   50   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     Q   129_A     Q   129_A     58  123  132     16   50   81  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     K   130_A     K   130_A     58  123  132     18   43   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     R   131_A     R   131_A     58  123  132     19   47   83  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_GDT     L   132_A     L   132_A     58  123  132     20   50   72  104  115  118  120  120  121  121  121  122  122  123  124  125  125  126  127  127 
LCS_AVERAGE  LCS_A:  75.56  (  39.62   87.06  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     28     50     83    104    115    118    120    120    121    121    121    122    122    123    124    125    125    126    127    127 
GDT PERCENT_AT  21.21  37.88  62.88  78.79  87.12  89.39  90.91  90.91  91.67  91.67  91.67  92.42  92.42  93.18  93.94  94.70  94.70  95.45  96.21  96.21
GDT RMS_LOCAL    0.32   0.64   1.07   1.26   1.43   1.52   1.59   1.59   1.65   1.65   1.65   1.76   1.76   2.15   2.20   2.40   2.40   2.63   2.88   2.88
GDT RMS_ALL_AT   5.04   5.01   4.63   4.58   4.58   4.63   4.65   4.65   4.68   4.68   4.68   4.64   4.64   4.55   4.57   4.53   4.53   4.47   4.41   4.41

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  Y    10_A      Y    10_A
#   possible swapping detected:  F    19_A      F    19_A
#   possible swapping detected:  E    21_A      E    21_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  F    40_A      F    40_A
#   possible swapping detected:  D    75_A      D    75_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  F    85_A      F    85_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F    99_A      F    99_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    21.570     0    0.670   0.552    26.911    0.000    0.000
LGA    H     2_A      H     2_A    19.531     0    0.681   1.180    24.736    0.000    0.000
LGA    H     3_A      H     3_A    14.384     0    0.258   0.202    16.961    0.000    0.000
LGA    H     4_A      H     4_A    14.758     0    0.455   1.044    16.577    0.000    0.000
LGA    H     5_A      H     5_A    13.543     0    0.658   1.379    19.652    0.000    0.000
LGA    H     6_A      H     6_A    17.544     0    0.103   1.212    24.104    0.000    0.000
LGA    E     7_A      E     7_A    18.120     0    0.603   0.939    24.448    0.000    0.000
LGA    N     8_A      N     8_A    11.826     0    0.552   0.893    14.220    0.000    0.893
LGA    L     9_A      L     9_A    11.314     0    0.609   0.642    14.740    0.119    0.060
LGA    Y    10_A      Y    10_A    10.949     0    0.435   1.354    19.825    0.714    0.238
LGA    F    11_A      F    11_A     6.876     0    0.614   0.526    15.272   21.667    8.528
LGA    Q    12_A      Q    12_A     1.856     0    0.590   1.018     6.668   67.143   44.815
LGA    S    13_A      S    13_A     1.390     0    0.078   0.588     3.229   81.548   76.270
LGA    S    14_A      S    14_A     0.837     0    0.075   0.651     2.514   83.690   80.397
LGA    A    15_A      A    15_A     1.321     0    0.023   0.022     1.615   81.429   79.714
LGA    K    16_A      K    16_A     1.299     0    0.020   1.097     4.525   83.690   72.434
LGA    Q    17_A      Q    17_A     1.012     0    0.016   1.587     5.516   85.952   69.683
LGA    D    18_A      D    18_A     0.981     0    0.013   0.114     1.402   90.476   87.083
LGA    F    19_A      F    19_A     0.876     0    0.057   1.152     5.356   88.214   68.182
LGA    A    20_A      A    20_A     0.638     0    0.018   0.018     0.718   90.476   90.476
LGA    E    21_A      E    21_A     0.512     0    0.024   0.674     2.927   92.857   76.720
LGA    G    22_A      G    22_A     0.889     0    0.077   0.077     0.889   90.476   90.476
LGA    V    23_A      V    23_A     0.576     0    0.019   0.021     0.801   95.238   93.197
LGA    K    24_A      K    24_A     0.459     0    0.056   0.988     5.119   95.238   75.556
LGA    L    25_A      L    25_A     0.568     0    0.019   0.030     0.805   90.476   90.476
LGA    W    26_A      W    26_A     0.561     0    0.034   1.250     9.271   90.476   47.687
LGA    Q    27_A      Q    27_A     0.752     0    0.014   0.072     1.484   90.476   86.455
LGA    E    28_A      E    28_A     0.423     0    0.023   0.672     2.814   95.238   80.529
LGA    N    29_A      N    29_A     0.533     0    0.045   0.066     0.669   92.857   95.238
LGA    A    30_A      A    30_A     0.939     0    0.009   0.010     1.072   88.214   86.857
LGA    V    31_A      V    31_A     0.854     0    0.020   0.019     0.955   90.476   90.476
LGA    L    32_A      L    32_A     0.843     0    0.012   0.040     0.982   90.476   90.476
LGA    W    33_A      W    33_A     1.003     0    0.016   1.245     8.961   83.690   46.020
LGA    T    34_A      T    34_A     1.132     0    0.016   0.027     1.324   81.429   81.429
LGA    R    35_A      R    35_A     0.997     0    0.006   1.676     8.334   88.214   54.848
LGA    L    36_A      L    36_A     0.994     0    0.018   0.894     2.616   83.690   79.702
LGA    V    37_A      V    37_A     1.219     0    0.039   0.036     1.367   81.429   81.429
LGA    Q    38_A      Q    38_A     1.245     0    0.027   0.107     1.799   81.429   77.619
LGA    A    39_A      A    39_A     0.812     0    0.007   0.016     0.989   90.476   90.476
LGA    F    40_A      F    40_A     1.052     0    0.006   1.264     6.546   88.214   59.567
LGA    Q    41_A      Q    41_A     1.046     0    0.012   0.061     1.474   85.952   83.439
LGA    S    42_A      S    42_A     0.707     0    0.110   0.634     2.675   95.238   88.095
LGA    G    43_A      G    43_A     0.649     0    0.049   0.049     1.158   88.214   88.214
LGA    D    44_A      D    44_A     0.845     0    0.023   0.049     1.429   85.952   84.821
LGA    Q    45_A      Q    45_A     2.152     0    0.028   0.304     4.218   66.786   57.619
LGA    S    46_A      S    46_A     2.215     0    0.047   0.669     2.422   68.810   67.460
LGA    T    47_A      T    47_A     1.400     0    0.014   0.032     1.625   79.286   80.204
LGA    V    48_A      V    48_A     1.535     0    0.012   0.070     1.863   75.000   74.082
LGA    D    49_A      D    49_A     2.122     0    0.008   0.864     4.580   68.810   56.488
LGA    S    50_A      S    50_A     1.744     0    0.026   0.031     2.038   77.143   74.365
LGA    L    51_A      L    51_A     1.190     0    0.021   0.057     1.385   81.429   84.821
LGA    L    52_A      L    52_A     1.747     0    0.037   0.082     2.193   72.857   69.821
LGA    K    53_A      K    53_A     1.867     0    0.009   0.603     1.893   72.857   72.857
LGA    Q    54_A      Q    54_A     1.596     0    0.009   0.046     1.678   72.857   75.714
LGA    L    55_A      L    55_A     1.504     0    0.030   0.091     1.895   75.000   79.345
LGA    D    56_A      D    56_A     2.212     0    0.054   0.180     3.099   66.786   62.024
LGA    A    57_A      A    57_A     1.879     0    0.022   0.025     1.968   72.857   72.857
LGA    N    58_A      N    58_A     1.664     0    0.031   0.055     1.724   72.857   72.857
LGA    A    59_A      A    59_A     1.871     0    0.021   0.019     1.971   72.857   72.857
LGA    A    60_A      A    60_A     2.091     0    0.019   0.019     2.286   68.810   68.000
LGA    R    61_A      R    61_A     1.446     0    0.023   1.045     5.686   79.286   66.537
LGA    V    62_A      V    62_A     1.568     0    0.015   0.084     2.042   75.000   72.925
LGA    E    63_A      E    63_A     1.803     0    0.013   0.053     2.259   72.857   70.159
LGA    Q    64_A      Q    64_A     2.003     0    0.014   0.083     2.785   68.810   64.868
LGA    L    65_A      L    65_A     1.587     0    0.038   0.979     3.092   72.857   70.000
LGA    L    66_A      L    66_A     1.482     0    0.036   0.052     2.104   77.143   73.988
LGA    Q    67_A      Q    67_A     2.125     0    0.213   0.191     3.214   63.095   64.021
LGA    R    68_A      R    68_A     1.882     0    0.226   0.305     2.848   68.929   68.485
LGA    I    69_A      I    69_A     1.117     0    0.071   0.705     2.452   77.381   81.667
LGA    I    70_A      I    70_A     1.900     0    0.047   0.170     6.974   65.476   50.179
LGA    S    71_A      S    71_A     3.383     0    0.262   0.649     5.289   44.167   41.032
LGA    E    72_A      E    72_A     3.722     0    0.469   0.898     6.795   39.167   34.550
LGA    T    73_A      T    73_A     3.953     0    0.497   0.918     5.398   43.452   40.068
LGA    G    74_A      G    74_A     5.411     0    0.452   0.452     5.411   38.095   38.095
LGA    D    75_A      D    75_A     3.536     0    0.610   1.000     8.619   48.333   28.155
LGA    E    76_A      E    76_A     2.504     0    0.064   0.997     7.561   65.000   44.021
LGA    L    77_A      L    77_A     1.245     0    0.020   0.088     1.733   75.000   80.476
LGA    A    78_A      A    78_A     2.714     0    0.053   0.057     3.402   59.048   57.238
LGA    R    79_A      R    79_A     2.540     0    0.021   1.236     5.422   60.952   53.810
LGA    K    80_A      K    80_A     1.298     0    0.029   0.038     1.688   79.286   78.571
LGA    G    81_A      G    81_A     1.658     0    0.084   0.084     1.812   75.000   75.000
LGA    E    82_A      E    82_A     2.214     0    0.044   0.825     2.625   64.881   63.968
LGA    S    83_A      S    83_A     2.348     0    0.079   0.673     3.088   64.762   62.302
LGA    L    84_A      L    84_A     1.767     0    0.105   0.119     1.924   72.857   76.071
LGA    F    85_A      F    85_A     2.383     0    0.153   1.274     6.813   60.952   44.978
LGA    Q    86_A      Q    86_A     3.023     0    0.113   0.169     5.265   59.167   45.132
LGA    R    87_A      R    87_A     1.958     0    0.165   0.921     8.771   61.429   42.078
LGA    N    88_A      N    88_A     1.694     0    0.523   1.032     3.994   63.452   65.536
LGA    Q    89_A      Q    89_A     1.660     0    0.208   0.900     2.420   77.262   73.069
LGA    Q    90_A      Q    90_A     1.497     0    0.025   0.054     1.766   75.000   73.810
LGA    L    91_A      L    91_A     1.556     0    0.024   0.055     1.589   72.857   77.143
LGA    F    92_A      F    92_A     1.563     0    0.023   1.051     4.794   72.857   63.203
LGA    S    93_A      S    93_A     1.628     0    0.089   0.679     1.943   77.143   77.143
LGA    Q    94_A      Q    94_A     1.067     0    0.038   0.912     4.223   85.952   71.799
LGA    L    95_A      L    95_A     1.272     0    0.014   1.374     3.032   81.429   77.560
LGA    K    96_A      K    96_A     1.352     0    0.045   0.867     5.313   81.429   60.688
LGA    T    97_A      T    97_A     1.035     0    0.023   0.026     1.171   85.952   86.599
LGA    L    98_A      L    98_A     0.718     0    0.017   0.062     0.975   90.476   90.476
LGA    F    99_A      F    99_A     1.236     0    0.113   1.157     6.509   81.429   57.662
LGA    S   100_A      S   100_A     1.186     0    0.014   0.013     1.236   81.429   81.429
LGA    Q   101_A      Q   101_A     1.017     0    0.161   0.176     1.125   83.690   86.455
LGA    G   102_A      G   102_A     1.089     0    0.029   0.029     1.139   81.429   81.429
LGA    D   103_A      D   103_A     1.181     0    0.033   0.079     1.449   81.429   81.429
LGA    E   104_A      E   104_A     1.290     0    0.036   0.078     1.488   81.429   81.429
LGA    D   105_A      D   105_A     1.586     0    0.029   0.046     2.196   79.286   73.036
LGA    T   106_A      T   106_A     1.163     0    0.038   0.072     1.292   81.429   81.429
LGA    A   107_A      A   107_A     0.922     0    0.024   0.025     1.030   88.214   88.667
LGA    K   108_A      K   108_A     1.328     0    0.013   0.047     2.016   81.429   75.767
LGA    A   109_A      A   109_A     1.269     0    0.009   0.012     1.389   81.429   81.429
LGA    V   110_A      V   110_A     0.622     0    0.029   0.041     0.862   92.857   94.558
LGA    L   111_A      L   111_A     0.683     0    0.019   0.147     1.602   90.476   84.881
LGA    E   112_A      E   112_A     1.082     0    0.011   0.060     2.259   88.214   78.836
LGA    E   113_A      E   113_A     0.782     0    0.008   0.099     1.729   90.476   85.503
LGA    I   114_A      I   114_A     0.259     0    0.030   0.033     0.840  100.000   96.429
LGA    Q   115_A      Q   115_A     1.007     0    0.036   0.616     4.920   88.214   66.720
LGA    S   116_A      S   116_A     0.918     0    0.070   0.676     3.195   88.214   80.714
LGA    N   117_A      N   117_A     0.457     0    0.041   0.090     1.597  100.000   90.774
LGA    L   118_A      L   118_A     0.782     0    0.038   0.142     1.322   88.333   90.595
LGA    N   119_A      N   119_A     1.407     0    0.031   0.043     2.254   81.429   74.107
LGA    Q   120_A      Q   120_A     0.611     0    0.004   0.203     1.727   90.476   86.508
LGA    I   121_A      I   121_A     1.025     0    0.022   0.032     1.876   81.548   80.417
LGA    Q   122_A      Q   122_A     2.104     0    0.020   1.186     6.821   68.810   50.159
LGA    Q   123_A      Q   123_A     1.304     0    0.010   0.054     2.533   85.952   77.884
LGA    I   124_A      I   124_A     0.918     0    0.006   0.029     1.859   85.952   82.619
LGA    I   125_A      I   125_A     2.402     0    0.016   0.055     3.715   66.786   56.726
LGA    T   126_A      T   126_A     2.255     0    0.021   0.033     2.750   68.810   64.898
LGA    E   127_A      E   127_A     1.135     0    0.043   0.992     4.364   81.429   67.090
LGA    A   128_A      A   128_A     1.525     0    0.023   0.023     1.909   77.143   76.286
LGA    Q   129_A      Q   129_A     1.975     0    0.006   1.244     4.853   72.857   59.101
LGA    K   130_A      K   130_A     1.393     0    0.004   0.068     3.115   85.952   72.593
LGA    R   131_A      R   131_A     0.564     0    0.023   1.111     4.539   88.214   75.758
LGA    L   132_A      L   132_A     1.814     0    0.135   1.404     7.547   72.976   49.881

# 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):     4.304          4.185                  5.397           72.049   66.353

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  132    4.0    120    1.59    75.568    82.982     7.117

LGA_LOCAL      RMSD:   1.586  Number of atoms:  120  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.652  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   4.304  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.697406 * X  +  -0.487295 * Y  +  -0.525518 * Z  +  19.755974
  Y_new =   0.275535 * X  +   0.494602 * Y  +  -0.824287 * Z  +  16.306658
  Z_new =   0.661593 * X  +  -0.719661 * Y  +  -0.210671 * Z  +   2.477528 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.765329 -0.722941 -1.855576   [DEG:  158.4417  -41.4215 -106.3167 ]
ZXZ: -0.567567  1.783058  2.398210   [DEG:  -32.5192  102.1617  137.4073 ]
 
# END of job
