
#######################################################
#                                                     #
#                        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:   131       2_A - 132_A       4.69     5.06
  LCS_AVERAGE:     98.55

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   124       9_A - 132_A       1.97     5.55
  LCS_AVERAGE:     88.45

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    58      17_A - 74_A        0.98     5.79
  LCS_AVERAGE:     33.61

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   10      0    3    3    3    3    5    5    6    9   12   16   20   22   27   28   30   32   33   34   36 
LCS_GDT     H     2_A     H     2_A      3    4  131      3    3    3    3    4    5    6    8    9   12   16   20   22   27   28   30   45   51   53   60 
LCS_GDT     H     3_A     H     3_A      3    4  131      3    3    3    3    5    5    6    8    9   10   16   20   22   45   58   65   72   78  111  119 
LCS_GDT     H     4_A     H     4_A      3    4  131      3    3    3    3    5    5    8    9   10   13   16   20   22   45   58   65   72   78   84   90 
LCS_GDT     H     5_A     H     5_A      3    5  131      3    3    3    4    5    7    8   12   16   24   27   33   34   34   36   38   45   51   53   60 
LCS_GDT     H     6_A     H     6_A      4    5  131      4    4    4    4    5    8   14   18   30   32   34   35   36   40   45   52   55   67   76   93 
LCS_GDT     E     7_A     E     7_A      4    5  131      4    4    4    4    5    6    6    9   19   29   34   39   48   59   69   89  108  122  126  126 
LCS_GDT     N     8_A     N     8_A      4    5  131      4    4    4    4    5    6    6   23   47   82   95  109  124  125  125  125  125  125  126  126 
LCS_GDT     L     9_A     L     9_A      4  124  131      4    4    4    4    5    5   17   23   70   82   95  115  124  125  125  125  125  125  126  126 
LCS_GDT     Y    10_A     Y    10_A      3  124  131      3    3    3    4   65   95  119  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     F    11_A     F    11_A     22  124  131      4    5    8   14   33   70  115  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    12_A     Q    12_A     33  124  131      4    5   23   52   97  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S    13_A     S    13_A     54  124  131     13   26   64   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S    14_A     S    14_A     54  124  131     16   44   81   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A    15_A     A    15_A     54  124  131      8   27   58   89  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     K    16_A     K    16_A     57  124  131      8   23   64   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    17_A     Q    17_A     58  124  131     16   45   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     D    18_A     D    18_A     58  124  131     16   44   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     F    19_A     F    19_A     58  124  131     16   44   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A    20_A     A    20_A     58  124  131     16   49   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E    21_A     E    21_A     58  124  131     16   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     G    22_A     G    22_A     58  124  131     16   48   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     V    23_A     V    23_A     58  124  131     20   49   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     K    24_A     K    24_A     58  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    25_A     L    25_A     58  124  131     20   48   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     W    26_A     W    26_A     58  124  131     16   44   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    27_A     Q    27_A     58  124  131     16   44   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E    28_A     E    28_A     58  124  131     16   44   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     N    29_A     N    29_A     58  124  131     16   44   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A    30_A     A    30_A     58  124  131     14   42   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     V    31_A     V    31_A     58  124  131     16   44   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    32_A     L    32_A     58  124  131     16   44   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     W    33_A     W    33_A     58  124  131     10   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     T    34_A     T    34_A     58  124  131     14   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     R    35_A     R    35_A     58  124  131     15   49   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    36_A     L    36_A     58  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     V    37_A     V    37_A     58  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    38_A     Q    38_A     58  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A    39_A     A    39_A     58  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     F    40_A     F    40_A     58  124  131     18   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    41_A     Q    41_A     58  124  131     15   49   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S    42_A     S    42_A     58  124  131     15   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     G    43_A     G    43_A     58  124  131     15   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     D    44_A     D    44_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    45_A     Q    45_A     58  124  131     17   42   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S    46_A     S    46_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     T    47_A     T    47_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     V    48_A     V    48_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     D    49_A     D    49_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S    50_A     S    50_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    51_A     L    51_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    52_A     L    52_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     K    53_A     K    53_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    54_A     Q    54_A     58  124  131      9   40   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    55_A     L    55_A     58  124  131     17   43   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     D    56_A     D    56_A     58  124  131     17   42   81   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A    57_A     A    57_A     58  124  131     17   43   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     N    58_A     N    58_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A    59_A     A    59_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A    60_A     A    60_A     58  124  131     17   42   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     R    61_A     R    61_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     V    62_A     V    62_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E    63_A     E    63_A     58  124  131     17   43   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    64_A     Q    64_A     58  124  131     17   43   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    65_A     L    65_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    66_A     L    66_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    67_A     Q    67_A     58  124  131     17   41   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     R    68_A     R    68_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     I    69_A     I    69_A     58  124  131     17   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     I    70_A     I    70_A     58  124  131     11   32   81   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S    71_A     S    71_A     58  124  131     11   48   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E    72_A     E    72_A     58  124  131     17   39   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     T    73_A     T    73_A     58  124  131     17   41   69   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     G    74_A     G    74_A     58  124  131      3    8   62   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     D    75_A     D    75_A     23  124  131      3    5    5    6   21   26   51  105  120  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E    76_A     E    76_A     28  124  131      3   16   20   55  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    77_A     L    77_A     28  124  131      3   20   26   55  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A    78_A     A    78_A     30  124  131     14   23   40   78  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     R    79_A     R    79_A     30  124  131     11   23   40   77  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     K    80_A     K    80_A     30  124  131     14   23   52   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     G    81_A     G    81_A     30  124  131     14   23   49   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E    82_A     E    82_A     30  124  131     14   23   49   85  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S    83_A     S    83_A     36  124  131     14   23   49   92  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    84_A     L    84_A     38  124  131     14   23   49   93  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     F    85_A     F    85_A     40  124  131     14   23   49   92  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    86_A     Q    86_A     40  124  131     14   25   56   92  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     R    87_A     R    87_A     40  124  131     14   27   56   93  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     N    88_A     N    88_A     40  124  131     14   23   49   92  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    89_A     Q    89_A     40  124  131     14   27   60   93  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    90_A     Q    90_A     40  124  131     14   27   56   92  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    91_A     L    91_A     40  124  131     14   27   60   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     F    92_A     F    92_A     40  124  131     14   27   60   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S    93_A     S    93_A     40  124  131     12   27   60   92  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q    94_A     Q    94_A     40  124  131     10   42   71   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    95_A     L    95_A     40  124  131     12   23   60   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     K    96_A     K    96_A     40  124  131      8   23   46   93  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     T    97_A     T    97_A     40  124  131      8   25   65   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L    98_A     L    98_A     40  124  131      8   44   80   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     F    99_A     F    99_A     40  124  131      8   27   65   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S   100_A     S   100_A     40  124  131      8   27   65   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q   101_A     Q   101_A     40  124  131      8   27   70   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     G   102_A     G   102_A     40  124  131      8   44   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     D   103_A     D   103_A     40  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E   104_A     E   104_A     40  124  131     18   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     D   105_A     D   105_A     40  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     T   106_A     T   106_A     40  124  131     15   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A   107_A     A   107_A     40  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     K   108_A     K   108_A     40  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A   109_A     A   109_A     40  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     V   110_A     V   110_A     40  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L   111_A     L   111_A     40  124  131     18   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E   112_A     E   112_A     40  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E   113_A     E   113_A     40  124  131     18   48   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     I   114_A     I   114_A     40  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q   115_A     Q   115_A     40  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     S   116_A     S   116_A     40  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     N   117_A     N   117_A     40  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L   118_A     L   118_A     40  124  131     15   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     N   119_A     N   119_A     40  124  131     12   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q   120_A     Q   120_A     40  124  131     18   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     I   121_A     I   121_A     40  124  131     20   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q   122_A     Q   122_A     40  124  131     12   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q   123_A     Q   123_A     40  124  131     18   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     I   124_A     I   124_A     40  124  131     20   48   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     I   125_A     I   125_A     37  124  131      5   41   70   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     T   126_A     T   126_A     35  124  131      5   33   81   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     E   127_A     E   127_A     35  124  131     10   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     A   128_A     A   128_A     35  124  131      9   45   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     Q   129_A     Q   129_A     35  124  131      5   33   79   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     K   130_A     K   130_A     35  124  131      5   33   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     R   131_A     R   131_A     35  124  131      9   50   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_GDT     L   132_A     L   132_A     35  124  131      8   42   82   95  115  119  120  122  122  122  123  123  124  125  125  125  125  125  126  126 
LCS_AVERAGE  LCS_A:  73.54  (  33.61   88.45   98.55 )

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     20     50     82     95    115    119    120    122    122    122    123    123    124    125    125    125    125    125    126    126 
GDT PERCENT_AT  15.15  37.88  62.12  71.97  87.12  90.15  90.91  92.42  92.42  92.42  93.18  93.18  93.94  94.70  94.70  94.70  94.70  94.70  95.45  95.45
GDT RMS_LOCAL    0.39   0.74   0.99   1.19   1.51   1.59   1.61   1.70   1.70   1.70   1.79   1.79   1.97   2.19   2.19   2.19   2.19   2.19   2.61   2.61
GDT RMS_ALL_AT   5.96   5.67   5.65   5.70   5.66   5.63   5.63   5.62   5.62   5.62   5.60   5.60   5.55   5.49   5.49   5.49   5.49   5.49   5.40   5.40

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  Y    10_A      Y    10_A
#   possible swapping detected:  F    11_A      F    11_A
#   possible swapping detected:  D    18_A      D    18_A
#   possible swapping detected:  F    19_A      F    19_A
#   possible swapping detected:  D    44_A      D    44_A
#   possible swapping detected:  D    49_A      D    49_A
#   possible swapping detected:  D    56_A      D    56_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    76_A      E    76_A
#   possible swapping detected:  E    82_A      E    82_A
#   possible swapping detected:  F    85_A      F    85_A
#   possible swapping detected:  D   103_A      D   103_A
#   possible swapping detected:  D   105_A      D   105_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    25.837     0    0.596   1.390    26.872    0.000    0.000
LGA    H     2_A      H     2_A    24.719     0    0.582   1.450    27.535    0.000    0.000
LGA    H     3_A      H     3_A    20.906     0    0.531   0.999    22.339    0.000    0.000
LGA    H     4_A      H     4_A    22.810     0    0.356   0.345    26.733    0.000    0.000
LGA    H     5_A      H     5_A    23.258     0    0.657   1.366    29.271    0.000    0.000
LGA    H     6_A      H     6_A    22.124     0    0.619   1.126    23.446    0.000    0.000
LGA    E     7_A      E     7_A    17.123     0    0.131   0.999    20.606    0.000    0.000
LGA    N     8_A      N     8_A    11.327     0    0.265   1.046    13.179    0.000    1.607
LGA    L     9_A      L     9_A     9.612     0    0.588   1.470    12.922    4.405    2.262
LGA    Y    10_A      Y    10_A     3.964     0    0.402   1.197    11.059   37.738   20.913
LGA    F    11_A      F    11_A     4.718     0    0.637   1.317     9.101   38.929   18.009
LGA    Q    12_A      Q    12_A     3.224     0    0.057   0.939     4.517   51.905   47.354
LGA    S    13_A      S    13_A     1.976     0    0.140   0.175     2.735   70.833   67.540
LGA    S    14_A      S    14_A     1.560     0    0.071   0.644     3.265   72.857   70.476
LGA    A    15_A      A    15_A     2.454     0    0.059   0.062     3.116   66.786   63.429
LGA    K    16_A      K    16_A     2.180     0    0.045   1.134     5.056   70.952   61.587
LGA    Q    17_A      Q    17_A     1.221     0    0.022   1.514     5.265   81.548   68.095
LGA    D    18_A      D    18_A     1.315     0    0.041   0.149     2.135   81.429   77.202
LGA    F    19_A      F    19_A     1.203     0    0.060   1.426     5.990   81.429   62.035
LGA    A    20_A      A    20_A     0.875     0    0.023   0.026     1.006   88.214   88.667
LGA    E    21_A      E    21_A     0.681     0    0.025   0.975     3.619   90.476   75.079
LGA    G    22_A      G    22_A     0.762     0    0.035   0.035     0.762   90.476   90.476
LGA    V    23_A      V    23_A     0.695     0    0.033   0.037     0.810   90.476   90.476
LGA    K    24_A      K    24_A     0.705     0    0.044   0.620     2.769   90.476   83.069
LGA    L    25_A      L    25_A     0.811     0    0.019   0.042     0.896   90.476   90.476
LGA    W    26_A      W    26_A     0.918     0    0.034   1.256     9.083   88.214   46.122
LGA    Q    27_A      Q    27_A     1.053     0    0.028   0.968     5.292   83.690   66.508
LGA    E    28_A      E    28_A     0.918     0    0.057   0.677     2.590   85.952   76.190
LGA    N    29_A      N    29_A     1.056     0    0.070   0.110     1.383   85.952   83.690
LGA    A    30_A      A    30_A     1.186     0    0.040   0.041     1.347   81.429   81.429
LGA    V    31_A      V    31_A     1.000     0    0.048   0.066     1.092   88.214   85.306
LGA    L    32_A      L    32_A     1.002     0    0.048   0.107     1.162   85.952   83.690
LGA    W    33_A      W    33_A     0.841     0    0.055   1.201     8.385   88.214   53.197
LGA    T    34_A      T    34_A     0.406     0    0.027   0.037     0.895  100.000   95.918
LGA    R    35_A      R    35_A     0.514     0    0.040   1.613     9.348   95.238   59.697
LGA    L    36_A      L    36_A     0.385     0    0.140   0.245     1.222  100.000   91.845
LGA    V    37_A      V    37_A     0.310     0    0.072   0.097     0.551   97.619   98.639
LGA    Q    38_A      Q    38_A     0.656     0    0.023   0.433     1.415   90.476   92.646
LGA    A    39_A      A    39_A     0.887     0    0.034   0.036     1.003   88.214   88.667
LGA    F    40_A      F    40_A     1.120     0    0.054   0.060     2.117   88.214   77.749
LGA    Q    41_A      Q    41_A     0.634     0    0.043   0.157     1.077   92.857   89.524
LGA    S    42_A      S    42_A     0.316     0    0.088   0.115     0.520   97.619   98.413
LGA    G    43_A      G    43_A     1.027     0    0.082   0.082     1.109   83.690   83.690
LGA    D    44_A      D    44_A     1.268     0    0.058   0.155     1.908   81.429   78.214
LGA    Q    45_A      Q    45_A     1.693     0    0.069   1.448     4.853   75.000   64.021
LGA    S    46_A      S    46_A     1.576     0    0.052   0.056     1.732   77.143   77.143
LGA    T    47_A      T    47_A     1.290     0    0.070   0.074     1.510   81.429   80.204
LGA    V    48_A      V    48_A     1.348     0    0.064   0.110     1.541   81.429   80.204
LGA    D    49_A      D    49_A     1.597     0    0.019   0.156     1.932   75.000   73.929
LGA    S    50_A      S    50_A     1.317     0    0.016   0.024     1.395   81.429   81.429
LGA    L    51_A      L    51_A     1.080     0    0.035   0.052     1.174   81.429   84.821
LGA    L    52_A      L    52_A     1.308     0    0.042   0.102     1.577   79.286   80.357
LGA    K    53_A      K    53_A     1.619     0    0.035   0.054     1.794   72.857   76.667
LGA    Q    54_A      Q    54_A     1.871     0    0.036   0.642     3.087   72.857   70.317
LGA    L    55_A      L    55_A     1.678     0    0.063   1.397     3.005   72.857   71.131
LGA    D    56_A      D    56_A     2.085     0    0.048   0.784     3.639   70.833   64.167
LGA    A    57_A      A    57_A     1.863     0    0.027   0.027     1.909   72.857   72.857
LGA    N    58_A      N    58_A     1.440     0    0.026   0.144     1.614   79.286   78.214
LGA    A    59_A      A    59_A     1.519     0    0.030   0.029     1.687   75.000   74.571
LGA    A    60_A      A    60_A     1.976     0    0.057   0.059     2.244   72.857   71.238
LGA    R    61_A      R    61_A     1.361     0    0.021   1.164     7.211   79.286   53.506
LGA    V    62_A      V    62_A     1.226     0    0.037   0.042     1.475   81.429   81.429
LGA    E    63_A      E    63_A     1.685     0    0.034   0.071     2.128   72.857   70.159
LGA    Q    64_A      Q    64_A     1.579     0    0.019   0.951     2.377   77.143   76.772
LGA    L    65_A      L    65_A     0.976     0    0.028   0.066     1.238   83.690   87.083
LGA    L    66_A      L    66_A     1.545     0    0.041   0.055     1.702   75.000   73.929
LGA    Q    67_A      Q    67_A     1.753     0    0.040   0.273     2.342   72.857   70.159
LGA    R    68_A      R    68_A     1.389     0    0.042   1.104     4.280   79.286   71.991
LGA    I    69_A      I    69_A     1.551     0    0.046   0.050     1.810   75.000   76.071
LGA    I    70_A      I    70_A     2.021     0    0.047   0.104     2.457   66.786   65.774
LGA    S    71_A      S    71_A     1.599     0    0.072   0.620     1.789   72.857   72.857
LGA    E    72_A      E    72_A     1.783     0    0.092   0.907     2.689   72.857   70.212
LGA    T    73_A      T    73_A     2.336     0    0.061   1.068     5.468   64.762   56.054
LGA    G    74_A      G    74_A     2.729     0    0.651   0.651     3.453   53.571   53.571
LGA    D    75_A      D    75_A     6.470     0    0.251   1.301    11.959   19.524    9.940
LGA    E    76_A      E    76_A     2.926     0    0.646   1.050     7.830   48.571   36.772
LGA    L    77_A      L    77_A     3.054     0    0.131   1.065     4.726   53.571   48.690
LGA    A    78_A      A    78_A     3.170     0    0.032   0.034     3.534   51.786   50.095
LGA    R    79_A      R    79_A     3.199     0    0.067   1.598     6.805   53.571   45.108
LGA    K    80_A      K    80_A     2.218     0    0.045   0.843     2.943   64.762   68.783
LGA    G    81_A      G    81_A     2.446     0    0.038   0.038     2.512   62.857   62.857
LGA    E    82_A      E    82_A     2.803     0    0.040   0.208     3.816   57.143   54.021
LGA    S    83_A      S    83_A     2.598     0    0.070   0.079     2.598   60.952   60.952
LGA    L    84_A      L    84_A     2.321     0    0.013   0.051     2.419   64.762   64.762
LGA    F    85_A      F    85_A     2.554     0    0.027   1.333     6.509   59.048   46.364
LGA    Q    86_A      Q    86_A     2.591     0    0.032   0.600     4.006   60.952   54.233
LGA    R    87_A      R    87_A     2.271     0    0.024   1.114     6.821   64.762   47.013
LGA    N    88_A      N    88_A     2.338     0    0.035   0.178     3.204   64.762   61.012
LGA    Q    89_A      Q    89_A     2.254     0    0.034   0.926     2.378   64.762   65.661
LGA    Q    90_A      Q    90_A     2.428     0    0.027   0.552     3.348   64.762   61.429
LGA    L    91_A      L    91_A     1.960     0    0.084   0.176     2.203   70.833   71.845
LGA    F    92_A      F    92_A     2.108     0    0.076   0.067     2.275   64.762   64.762
LGA    S    93_A      S    93_A     2.285     0    0.091   0.105     2.616   68.810   64.921
LGA    Q    94_A      Q    94_A     1.447     0    0.048   1.556     6.350   79.286   62.169
LGA    L    95_A      L    95_A     1.830     0    0.046   1.392     2.759   72.857   71.071
LGA    K    96_A      K    96_A     2.144     0    0.029   0.803     7.238   66.786   46.085
LGA    T    97_A      T    97_A     1.686     0    0.038   0.032     1.801   77.143   75.306
LGA    L    98_A      L    98_A     1.129     0    0.044   0.142     1.382   81.429   85.952
LGA    F    99_A      F    99_A     1.687     0    0.075   0.104     1.849   72.857   72.857
LGA    S   100_A      S   100_A     1.730     0    0.058   0.685     2.411   72.857   71.508
LGA    Q   101_A      Q   101_A     1.557     0    0.063   0.592     3.034   75.000   76.190
LGA    G   102_A      G   102_A     1.252     0    0.058   0.058     1.294   85.952   85.952
LGA    D   103_A      D   103_A     0.574     0    0.109   0.217     1.627   90.476   87.202
LGA    E   104_A      E   104_A     0.888     0    0.087   0.871     3.340   90.476   75.556
LGA    D   105_A      D   105_A     0.481     0    0.055   0.165     0.693   92.857   96.429
LGA    T   106_A      T   106_A     0.982     0    0.081   1.023     3.415   90.476   79.728
LGA    A   107_A      A   107_A     0.878     0    0.036   0.034     0.978   90.476   90.476
LGA    K   108_A      K   108_A     0.964     0    0.027   1.039     7.007   85.952   63.968
LGA    A   109_A      A   109_A     1.083     0    0.037   0.045     1.183   81.429   81.429
LGA    V   110_A      V   110_A     0.977     0    0.061   0.065     1.041   88.214   89.184
LGA    L   111_A      L   111_A     1.054     0    0.061   0.073     1.063   83.690   83.690
LGA    E   112_A      E   112_A     1.194     0    0.033   0.066     1.509   81.429   80.476
LGA    E   113_A      E   113_A     1.260     0    0.057   0.100     2.028   85.952   78.730
LGA    I   114_A      I   114_A     0.558     0    0.035   0.068     0.862   92.857   95.238
LGA    Q   115_A      Q   115_A     0.756     0    0.039   1.102     4.633   90.476   71.799
LGA    S   116_A      S   116_A     0.930     0    0.081   0.553     2.268   90.476   86.190
LGA    N   117_A      N   117_A     0.643     0    0.035   0.324     1.551   90.476   88.274
LGA    L   118_A      L   118_A     0.393     0    0.042   0.062     1.441   95.238   90.595
LGA    N   119_A      N   119_A     1.314     0    0.053   0.097     2.041   83.690   77.262
LGA    Q   120_A      Q   120_A     1.254     0    0.068   0.282     2.432   83.690   75.926
LGA    I   121_A      I   121_A     0.544     0    0.054   0.700     3.269   95.238   85.536
LGA    Q   122_A      Q   122_A     0.669     0    0.035   1.204     5.282   92.857   70.688
LGA    Q   123_A      Q   123_A     1.028     0    0.057   0.166     2.250   88.214   77.937
LGA    I   124_A      I   124_A     1.259     0    0.048   0.641     3.144   83.690   70.476
LGA    I   125_A      I   125_A     2.020     0    0.070   0.648     5.260   72.976   58.571
LGA    T   126_A      T   126_A     1.665     0    0.086   1.104     4.249   79.286   72.653
LGA    E   127_A      E   127_A     0.872     0    0.051   1.022     4.481   90.476   73.598
LGA    A   128_A      A   128_A     1.331     0    0.033   0.031     1.619   77.143   76.286
LGA    Q   129_A      Q   129_A     2.115     0    0.061   1.032     3.981   68.810   63.333
LGA    K   130_A      K   130_A     1.513     0    0.023   0.070     3.505   77.143   66.296
LGA    R   131_A      R   131_A     0.995     0    0.048   1.073     5.694   83.810   63.853
LGA    L   132_A      L   132_A     1.677     0    0.301   1.321     4.589   77.143   71.012

# 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):     5.047          4.935                  5.839           72.209   66.814

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  132  132    4.0    122    1.70    74.242    83.170     6.785

LGA_LOCAL      RMSD:   1.698  Number of atoms:  122  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   5.623  Number of assigned atoms:  132 
Std_ASGN_ATOMS RMSD:   5.047  Standard rmsd on all 132 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.300591 * X  +  -0.476892 * Y  +   0.825966 * Z  + -22.778929
  Y_new =   0.576699 * X  +  -0.598885 * Y  +  -0.555657 * Z  +  13.072340
  Z_new =   0.759647 * X  +   0.643359 * Y  +   0.095003 * Z  +  -8.815989 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.090312 -0.862770  1.424188   [DEG:   62.4703  -49.4331   81.6000 ]
ZXZ:  0.978604  1.475649  0.868094   [DEG:   56.0699   84.5485   49.7381 ]
 
# END of job
