
#######################################################
#                                                     #
#                        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  116 (  944),  selected  116 , name one
# Molecule2: number of CA atoms  157 ( 1259),  selected  116 , 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:    43      27_A - 69_A        4.98    15.07
  LCS_AVERAGE:     23.31

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      33_A - 54_A        2.00    14.49
  LCS_AVERAGE:     10.21

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19       7_A - 25_A        0.99    19.80
  LCS_AVERAGE:      7.01

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  116
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     E     7_A     E     7_A     19   20   27      5    7   17   19   19   19   21   22   22   23   23   23   25   27   28   30   32   35   37   44 
LCS_GDT     A     8_A     A     8_A     19   20   27      5   13   17   19   19   19   21   22   22   23   23   23   26   27   30   32   34   35   38   44 
LCS_GDT     S     9_A     S     9_A     19   20   29      5    5   17   19   19   19   21   22   22   23   29   31   36   38   41   42   44   44   44   44 
LCS_GDT     L    10_A     L    10_A     19   20   41      9   13   17   19   19   19   21   22   22   24   29   31   36   39   42   42   44   44   44   45 
LCS_GDT     Q    11_A     Q    11_A     19   20   41      5   13   16   19   19   19   21   22   22   23   25   31   32   36   41   42   44   44   44   44 
LCS_GDT     A    12_A     A    12_A     19   20   41      4    6   17   19   19   19   21   22   22   23   29   31   36   39   42   42   44   44   44   45 
LCS_GDT     F    13_A     F    13_A     19   20   41      4   12   17   19   19   19   21   22   26   31   33   34   36   39   42   42   44   44   44   45 
LCS_GDT     F    14_A     F    14_A     19   20   41      4   13   17   19   19   19   21   22   22   23   29   31   36   39   42   42   44   44   44   45 
LCS_GDT     E    15_A     E    15_A     19   20   41      9   13   17   19   19   19   21   22   22   23   25   31   36   39   42   42   44   44   44   45 
LCS_GDT     V    16_A     V    16_A     19   20   41      9   13   17   19   19   19   21   22   26   31   33   34   36   39   42   42   44   44   44   45 
LCS_GDT     H    17_A     H    17_A     19   20   41      9   13   17   19   19   19   21   22   27   31   33   34   36   39   42   42   44   44   45   51 
LCS_GDT     T    18_A     T    18_A     19   20   41      9   13   17   19   19   19   21   22   22   23   25   29   36   39   42   42   44   44   44   48 
LCS_GDT     R    19_A     R    19_A     19   20   41      9   13   17   19   19   19   21   22   22   27   31   34   36   39   42   42   44   44   44   46 
LCS_GDT     L    20_A     L    20_A     19   20   41      9   13   17   19   19   19   21   23   27   31   33   34   36   39   42   42   44   44   50   55 
LCS_GDT     V    21_A     V    21_A     19   20   41      9   13   17   19   19   19   21   23   27   31   33   34   36   39   42   44   48   59   63   67 
LCS_GDT     H    22_A     H    22_A     19   20   41      9   13   17   19   19   19   21   22   27   31   33   34   36   39   42   42   46   53   60   65 
LCS_GDT     R    23_A     R    23_A     19   20   41      9   13   17   19   19   19   21   22   27   31   33   34   36   39   42   42   44   47   50   59 
LCS_GDT     L    24_A     L    24_A     19   20   41      9   13   17   19   19   19   21   23   27   31   33   34   36   39   42   45   48   52   55   65 
LCS_GDT     A    25_A     A    25_A     19   20   41      6   13   17   19   19   19   21   23   27   31   33   34   36   40   43   48   55   59   63   67 
LCS_GDT     G    26_A     G    26_A      5   20   41      4    5    6    6   12   19   21   23   27   31   33   34   36   39   42   45   55   59   63   67 
LCS_GDT     I    27_A     I    27_A      5    6   43      4    5    6    6    8   10   20   23   27   31   33   34   40   49   54   56   57   59   63   67 
LCS_GDT     E    28_A     E    28_A      5    6   43      4    5    6    6   12   16   22   27   29   34   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     P    29_A     P    29_A      5   10   43      4    8   10   14   21   22   26   29   31   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     D    30_A     D    30_A      8   20   43      5    7   10   14   22   27   28   30   33   35   37   40   48   51   54   56   57   58   62   67 
LCS_GDT     P    31_A     P    31_A      8   20   43      5    7   12   18   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     R    32_A     R    32_A      8   20   43      5    7   10   13   20   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     F    33_A     F    33_A      8   22   43      5    7   10   14   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     E    34_A     E    34_A      8   22   43      5    7   12   18   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     I    35_A     I    35_A      8   22   43      3    7   12   18   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     L    36_A     L    36_A      8   22   43      4    7   10   18   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     D    37_A     D    37_A     12   22   43      4    6   10   18   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     K    38_A     K    38_A     12   22   43      7   10   12   18   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     Y    39_A     Y    39_A     12   22   43      7   11   12   18   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     I    40_A     I    40_A     12   22   43      4   11   12   18   22   27   28   30   33   35   37   39   48   51   54   56   57   59   63   67 
LCS_GDT     F    41_A     F    41_A     12   22   43      4   11   12   17   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     R    42_A     R    42_A     12   22   43      4   11   12   18   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     Q    43_A     Q    43_A     12   22   43      7   11   12   18   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     I    44_A     I    44_A     12   22   43      7   11   12   18   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     V    45_A     V    45_A     12   22   43      7   11   12   18   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     A    46_A     A    46_A     12   22   43      7   11   12   18   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     D    47_A     D    47_A     12   22   43      7   11   12   18   22   27   28   30   33   35   37   38   42   49   52   54   57   59   63   67 
LCS_GDT     N    48_A     N    48_A     12   22   43      7   11   12   18   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     P    49_A     P    49_A     12   22   43      5   11   12   18   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     E    50_A     E    50_A      6   22   43      5    5    7   13   15   20   25   29   33   35   37   38   48   51   54   56   57   59   63   67 
LCS_GDT     E    51_A     E    51_A      9   22   43      6    9    9   12   14   20   25   29   32   35   37   38   40   49   54   56   57   59   63   67 
LCS_GDT     R    52_A     R    52_A      9   22   43      6   10   12   18   22   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     E    53_A     E    53_A      9   22   43      6    9   11   18   22   27   28   30   33   35   37   39   48   51   54   56   57   59   63   67 
LCS_GDT     K    54_A     K    54_A      9   22   43      6    9   12   18   22   27   28   30   33   35   37   39   48   51   54   56   57   59   63   67 
LCS_GDT     I    55_A     I    55_A      9   19   43      6    9    9   14   21   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     R    56_A     R    56_A      9   16   43      6    9    9   12   19   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     L    57_A     L    57_A      9   16   43      5    9    9   15   22   27   28   30   33   35   37   38   48   51   54   56   57   59   63   67 
LCS_GDT     D    58_A     D    58_A      9   16   43      6    9    9   14   21   27   28   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     Y    59_A     Y    59_A      9   16   43      3    9    9   12   14   17   18   27   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     G    60_A     G    60_A      5   16   43      3    4    8   12   14   17   26   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     R    61_A     R    61_A      8   14   43      3    4    9   10   14   18   21   27   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     A    62_A     A    62_A      8   14   43      3    5   10   11   13   15   17   19   22   27   35   40   46   51   54   56   57   58   62   67 
LCS_GDT     A    63_A     A    63_A      8   14   43      3    6    9   11   13   13   16   18   22   26   33   40   48   51   54   56   57   59   63   67 
LCS_GDT     E    64_A     E    64_A      8   14   43      3    6    9   11   13   13   14   15   17   20   27   39   48   51   54   56   57   59   63   67 
LCS_GDT     I    65_A     I    65_A      8   14   43      4    6    9   11   13   13   14   15   17   18   22   31   38   41   46   56   57   59   63   67 
LCS_GDT     F    66_A     F    66_A      8   14   43      4    6    9   11   13   13   14   15   17   18   21   24   32   40   46   49   52   59   63   67 
LCS_GDT     R    67_A     R    67_A      8   14   43      4    6    9   11   13   13   14   15   17   18   22   30   37   40   46   56   57   59   63   67 
LCS_GDT     D    68_A     D    68_A      8   14   43      4    6    9   11   13   13   14   15   17   18   22   30   37   40   43   47   54   59   63   67 
LCS_GDT     A    69_A     A    69_A      8   14   43      4    5    9   11   13   13   14   15   16   18   19   23   30   40   43   45   48   50   54   67 
LCS_GDT     L    70_A     L    70_A      6   14   27      4    5    6   11   13   13   14   15   17   18   21   22   26   28   32   34   36   44   53   56 
LCS_GDT     A    71_A     A    71_A      6   14   27      4    5    6    7   13   13   14   15   16   17   20   22   26   28   32   34   36   43   49   56 
LCS_GDT     R    72_A     R    72_A      6   14   27      3    5    9   11   13   13   14   15   17   18   21   22   26   31   34   39   44   50   53   56 
LCS_GDT     D    73_A     D    73_A      6   14   28      4    5    9   11   13   13   14   15   17   17   19   22   22   27   30   32   37   43   50   56 
LCS_GDT     I    74_A     I    74_A      5   14   34      4    4    7    9   11   12   14   15   17   18   21   22   26   28   32   39   44   47   53   56 
LCS_GDT     T    75_A     T    75_A      5    8   34      4    4    5    7    7   11   12   14   17   19   24   26   29   31   34   38   44   50   53   56 
LCS_GDT     T    76_A     T    76_A      5    8   34      4    4    5    7    7   12   16   19   22   25   28   29   30   31   34   37   44   48   51   56 
LCS_GDT     P    77_A     P    77_A      5    8   34      3    3    5    7   10   15   20   21   22   25   28   29   30   34   40   45   48   50   53   56 
LCS_GDT     E    78_A     E    78_A      5    8   34      3    3    5    7    7   12   17   20   22   25   28   29   30   34   37   43   45   48   53   56 
LCS_GDT     A    79_A     A    79_A      4    8   34      3    4    5    7    7    9   14   20   22   25   28   29   30   34   40   43   47   52   55   61 
LCS_GDT     F    80_A     F    80_A      9   10   34      4    9    9    9    9   10   16   20   22   25   28   29   32   36   43   45   49   59   63   67 
LCS_GDT     N    81_A     N    81_A      9   10   34      4    9    9    9    9   10   11   12   17   21   27   31   34   39   43   45   49   59   63   67 
LCS_GDT     A    82_A     A    82_A      9   10   34      7    9    9    9    9   10   11   12   17   18   21   26   30   34   40   45   48   50   53   56 
LCS_GDT     Y    83_A     Y    83_A      9   10   34      7    9    9    9    9   10   11   14   17   20   25   29   30   31   36   39   45   48   51   56 
LCS_GDT     L    84_A     L    84_A      9   10   34      7    9    9    9    9   14   20   21   22   25   28   29   30   31   37   40   45   48   51   56 
LCS_GDT     E    85_A     E    85_A      9   10   34      7    9    9    9    9   10   11   16   21   25   28   29   30   34   37   41   45   48   51   56 
LCS_GDT     A    86_A     A    86_A      9   10   34      7    9    9    9    9   10   10   11   15   19   21   29   30   31   32   35   37   42   48   52 
LCS_GDT     L    87_A     L    87_A      9   10   34      7    9    9    9   10   13   17   21   22   24   28   29   30   31   32   34   36   40   44   46 
LCS_GDT     G    88_A     G    88_A      9   10   34      7    9    9    9    9   12   20   21   22   25   28   29   30   31   32   34   36   41   44   46 
LCS_GDT     P    89_A     P    89_A      4   10   34      3    3    4    5    8   13   20   21   22   25   28   29   30   31   32   34   36   40   44   46 
LCS_GDT     D    90_A     D    90_A      5   18   34      4    5    6   12   16   17   20   21   22   25   28   29   30   31   32   36   39   41   45   49 
LCS_GDT     A    91_A     A    91_A      5   18   34      4    5    5   10   13   19   20   21   22   25   28   29   30   32   34   35   39   44   48   53 
LCS_GDT     V    92_A     V    92_A     16   18   34      4   10   15   16   18   19   20   21   22   25   28   29   32   33   35   38   45   47   50   56 
LCS_GDT     R    93_A     R    93_A     16   18   34      4   13   15   16   18   19   20   21   22   25   28   29   30   32   35   36   39   46   50   55 
LCS_GDT     T    94_A     T    94_A     16   18   34      7   13   15   16   18   19   20   21   22   25   28   29   30   32   35   36   39   43   47   55 
LCS_GDT     V    95_A     V    95_A     16   18   34      7   13   15   16   18   19   20   21   22   25   28   29   32   34   36   41   45   47   54   59 
LCS_GDT     Q    96_A     Q    96_A     16   18   34      7   13   15   16   18   19   20   21   22   28   31   32   34   36   38   43   47   55   60   65 
LCS_GDT     D    97_A     D    97_A     16   18   34      7   13   15   16   18   19   20   21   22   25   28   29   30   32   37   40   46   53   60   65 
LCS_GDT     L    98_A     L    98_A     16   18   34      7   13   15   16   18   19   20   21   22   25   28   29   30   32   37   40   47   59   63   67 
LCS_GDT     T    99_A     T    99_A     16   18   34      7   13   15   16   18   25   28   29   32   34   37   38   40   49   54   56   57   59   63   67 
LCS_GDT     R   100_A     R   100_A     16   18   34      7   13   15   16   18   19   26   30   33   35   37   39   48   51   54   56   57   59   63   67 
LCS_GDT     R   101_A     R   101_A     16   18   34      7   13   15   16   18   19   21   22   25   26   32   38   48   51   54   56   57   59   63   67 
LCS_GDT     F   102_A     F   102_A     16   18   34      7   13   15   16   18   19   21   30   33   35   37   40   48   51   54   56   57   59   63   67 
LCS_GDT     V   103_A     V   103_A     16   18   34      7   13   15   16   18   19   20   25   30   34   36   40   48   51   54   56   57   59   63   67 
LCS_GDT     D   104_A     D   104_A     16   18   34      7   13   15   16   18   19   20   25   30   33   35   40   48   51   54   56   57   59   63   67 
LCS_GDT     V   105_A     V   105_A     16   18   34      7   13   15   16   18   19   20   21   24   27   33   38   42   47   50   54   56   58   59   61 
LCS_GDT     I   106_A     I   106_A     16   18   34      7   13   15   16   18   19   20   21   23   27   30   38   42   44   49   52   55   57   59   61 
LCS_GDT     R   107_A     R   107_A     16   18   34      7   11   15   16   18   19   20   21   23   27   32   38   42   43   48   52   55   57   59   60 
LCS_GDT     A   108_A     A   108_A      3   11   34      3    3    4    6   12   15   18   24   30   33   35   40   48   51   54   56   57   59   63   67 
LCS_GDT     D   109_A     D   109_A     10   11   33      7    9   10   11   12   15   18   25   30   33   35   40   48   51   54   56   57   59   63   67 
LCS_GDT     P   110_A     P   110_A     10   11   24      7    9   10   11   12   15   18   25   30   33   35   40   48   51   54   56   57   59   63   67 
LCS_GDT     E   111_A     E   111_A     10   11   23      7    9   10   11   12   15   17   25   30   33   35   40   48   51   54   56   57   59   63   67 
LCS_GDT     A   112_A     A   112_A     10   11   23      7    9   10   11   12   15   17   25   30   33   35   40   48   51   54   56   57   59   63   67 
LCS_GDT     I   113_A     I   113_A     10   11   23      7    9   10   11   12   15   18   25   30   33   35   40   48   51   54   56   57   59   63   67 
LCS_GDT     A   114_A     A   114_A     10   11   23      7    9   10   11   12   15   18   25   30   33   35   40   48   51   54   56   57   59   63   67 
LCS_GDT     K   115_A     K   115_A     10   11   23      7    9   10   11   12   15   18   24   30   33   35   39   45   51   54   56   57   59   63   67 
LCS_GDT     L   116_A     L   116_A     10   11   23      7    9   10   11   12   15   17   25   30   33   35   40   48   51   54   56   57   59   63   67 
LCS_GDT     L   117_A     L   117_A     10   11   23      7    9   10   11   12   15   18   25   30   33   35   40   48   51   54   56   57   59   63   67 
LCS_GDT     N   118_A     N   118_A     10   11   23      3    4    9   11   12   13   18   24   30   33   35   40   48   51   54   56   57   59   63   67 
LCS_GDT     I   119_A     I   119_A      3    4   23      3    3    3    3    5    6    9   11   14   19   29   29   31   33   37   40   50   52   60   67 
LCS_GDT     S   120_A     S   120_A      3    4   22      3    3    3    3    5    6    7    9   12   13   15   16   19   22   31   34   35   38   54   58 
LCS_GDT     K   121_A     K   121_A      3    3   20      3    3    3    3    4    5    5    6    8    8   10   35   36   39   41   43   46   48   52   58 
LCS_GDT     E   122_A     E   122_A      3    3   12      3    3    3    3    3    4    5    6    8    8    8   11   25   27   35   35   39   46   48   53 
LCS_AVERAGE  LCS_A:  13.51  (   7.01   10.21   23.31 )

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      9     13     17     19     22     27     28     30     33     35     37     40     48     51     54     56     57     59     63     67 
GDT PERCENT_AT   5.73   8.28  10.83  12.10  14.01  17.20  17.83  19.11  21.02  22.29  23.57  25.48  30.57  32.48  34.39  35.67  36.31  37.58  40.13  42.68
GDT RMS_LOCAL    0.26   0.56   0.84   0.99   1.73   2.07   2.14   2.47   2.83   3.04   3.33   4.17   4.73   4.88   5.21   5.38   5.44   6.05   6.61   6.84
GDT RMS_ALL_AT  20.38  17.17  19.85  19.80  14.85  15.27  15.19  15.89  16.24  15.97  15.50  17.63  16.71  16.72  16.27  16.15  16.17  15.29  14.59  14.70

# Checking swapping
#   possible swapping detected:  E     7_A      E     7_A
#   possible swapping detected:  F    13_A      F    13_A
#   possible swapping detected:  E    28_A      E    28_A
#   possible swapping detected:  D    30_A      D    30_A
#   possible swapping detected:  D    37_A      D    37_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    51_A      E    51_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  Y    59_A      Y    59_A
#   possible swapping detected:  F    80_A      F    80_A
#   possible swapping detected:  Y    83_A      Y    83_A
#   possible swapping detected:  E    85_A      E    85_A
#   possible swapping detected:  D    97_A      D    97_A
#   possible swapping detected:  D   104_A      D   104_A
#   possible swapping detected:  D   109_A      D   109_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A    30.427     0    0.585   0.933    31.683    0.000    0.000
LGA    A     8_A      A     8_A    35.448     0    0.042   0.046    37.935    0.000    0.000
LGA    S     9_A      S     9_A    32.960     0    0.092   0.185    33.675    0.000    0.000
LGA    L    10_A      L    10_A    27.218     0    0.282   0.856    29.311    0.000    0.000
LGA    Q    11_A      Q    11_A    30.916     0    0.044   1.055    37.380    0.000    0.000
LGA    A    12_A      A    12_A    31.203     0    0.069   0.070    32.473    0.000    0.000
LGA    F    13_A      F    13_A    23.874     0    0.068   1.452    26.462    0.000    0.000
LGA    F    14_A      F    14_A    22.154     0    0.054   1.280    27.023    0.000    0.000
LGA    E    15_A      E    15_A    27.004     0    0.053   1.311    34.815    0.000    0.000
LGA    V    16_A      V    16_A    24.751     0    0.049   0.181    27.669    0.000    0.000
LGA    H    17_A      H    17_A    18.050     0    0.072   0.896    20.452    0.000    0.000
LGA    T    18_A      T    18_A    19.620     0    0.034   1.126    22.590    0.000    0.000
LGA    R    19_A      R    19_A    24.202     0    0.034   1.069    33.102    0.000    0.000
LGA    L    20_A      L    20_A    21.478     0    0.065   1.362    23.246    0.000    0.000
LGA    V    21_A      V    21_A    15.789     0    0.037   1.208    17.704    0.000    0.000
LGA    H    22_A      H    22_A    18.925     0    0.073   1.359    21.043    0.000    0.000
LGA    R    23_A      R    23_A    23.718     0    0.033   1.099    32.615    0.000    0.000
LGA    L    24_A      L    24_A    20.175     0    0.220   0.970    21.035    0.000    0.000
LGA    A    25_A      A    25_A    15.861     0    0.085   0.078    17.569    0.000    0.000
LGA    G    26_A      G    26_A    18.629     0    0.351   0.351    18.629    0.000    0.000
LGA    I    27_A      I    27_A    14.117     0    0.043   1.180    15.704    0.000    0.000
LGA    E    28_A      E    28_A     9.247     0    0.029   1.233    11.096    3.929    2.328
LGA    P    29_A      P    29_A     5.970     0    0.650   0.628     9.040   25.238   16.735
LGA    D    30_A      D    30_A     1.647     0    0.616   1.385     6.323   72.976   50.000
LGA    P    31_A      P    31_A     2.442     0    0.056   0.151     3.337   64.881   62.789
LGA    R    32_A      R    32_A     2.653     0    0.127   1.284    12.334   66.905   30.260
LGA    F    33_A      F    33_A     1.754     0    0.066   1.218     5.810   79.286   55.065
LGA    E    34_A      E    34_A     1.989     0    0.062   0.150     5.442   75.000   53.810
LGA    I    35_A      I    35_A     1.986     0    0.046   0.096     3.486   75.000   66.131
LGA    L    36_A      L    36_A     1.361     0    0.075   0.156     3.020   81.429   72.262
LGA    D    37_A      D    37_A     1.517     0    0.056   0.830     4.621   83.810   66.429
LGA    K    38_A      K    38_A     0.544     0    0.150   0.945     2.702   92.857   86.878
LGA    Y    39_A      Y    39_A     1.870     0    0.031   1.550    12.275   75.000   35.635
LGA    I    40_A      I    40_A     3.127     0    0.032   0.641     7.119   55.476   40.179
LGA    F    41_A      F    41_A     3.015     0    0.051   0.275     7.184   61.071   36.320
LGA    R    42_A      R    42_A     1.751     0    0.051   1.240     8.418   77.143   49.307
LGA    Q    43_A      Q    43_A     2.119     0    0.031   0.564     4.639   67.024   52.698
LGA    I    44_A      I    44_A     2.354     0    0.074   1.009     4.853   70.833   59.048
LGA    V    45_A      V    45_A     0.622     0    0.048   1.175     3.028   88.214   82.109
LGA    A    46_A      A    46_A     2.268     0    0.069   0.067     3.134   63.333   62.095
LGA    D    47_A      D    47_A     3.239     0    0.110   0.141     4.047   50.119   46.786
LGA    N    48_A      N    48_A     2.226     0    0.372   1.028     5.650   68.929   53.571
LGA    P    49_A      P    49_A     1.547     0    0.114   0.158     2.997   71.786   70.068
LGA    E    50_A      E    50_A     4.570     0    0.172   1.053     5.551   33.571   37.884
LGA    E    51_A      E    51_A     4.827     0    0.288   1.316     6.694   40.476   30.582
LGA    R    52_A      R    52_A     1.814     0    0.040   0.898     3.094   71.548   68.831
LGA    E    53_A      E    53_A     3.074     0    0.045   1.272     9.955   59.167   32.593
LGA    K    54_A      K    54_A     2.793     0    0.045   0.336     4.049   67.143   57.090
LGA    I    55_A      I    55_A     2.057     0    0.054   1.324     6.261   68.810   55.833
LGA    R    56_A      R    56_A     2.537     0    0.080   1.772     6.458   59.762   48.268
LGA    L    57_A      L    57_A     2.560     0    0.123   1.312     4.604   69.048   58.095
LGA    D    58_A      D    58_A     1.863     0    0.084   0.274     3.876   65.952   58.036
LGA    Y    59_A      Y    59_A     4.934     0    0.586   1.438    15.721   33.571   13.532
LGA    G    60_A      G    60_A     4.064     0    0.153   0.153     5.182   34.405   34.405
LGA    R    61_A      R    61_A     6.891     0    0.576   1.432    11.702   14.762    6.537
LGA    A    62_A      A    62_A     9.862     0    0.119   0.115    11.179    0.952    0.762
LGA    A    63_A      A    63_A     9.401     0    0.043   0.054    10.198    0.833    0.952
LGA    E    64_A      E    64_A     9.574     0    0.053   0.371    10.254    0.595    0.741
LGA    I    65_A      I    65_A     9.825     0    0.048   1.312    12.305    0.238    1.786
LGA    F    66_A      F    66_A    11.217     0    0.030   0.632    13.152    0.000    0.000
LGA    R    67_A      R    67_A    11.203     0    0.057   1.482    16.752    0.000    0.000
LGA    D    68_A      D    68_A    11.416     0    0.145   0.223    12.974    0.000    0.000
LGA    A    69_A      A    69_A    10.928     0    0.042   0.047    13.845    0.000    0.095
LGA    L    70_A      L    70_A    15.142     0    0.063   0.289    18.049    0.000    0.000
LGA    A    71_A      A    71_A    18.505     0    0.111   0.109    20.639    0.000    0.000
LGA    R    72_A      R    72_A    17.065     0    0.235   0.941    17.951    0.000    0.000
LGA    D    73_A      D    73_A    16.771     0    0.505   1.393    20.568    0.000    0.000
LGA    I    74_A      I    74_A    18.110     0    0.584   0.728    21.330    0.000    0.000
LGA    T    75_A      T    75_A    17.669     0    0.714   1.455    19.355    0.000    0.000
LGA    T    76_A      T    76_A    20.469     0    0.071   1.316    25.152    0.000    0.000
LGA    P    77_A      P    77_A    18.856     0    0.609   0.776    21.699    0.000    0.000
LGA    E    78_A      E    78_A    21.294     0    0.398   0.526    27.511    0.000    0.000
LGA    A    79_A      A    79_A    19.585     0    0.059   0.088    20.144    0.000    0.000
LGA    F    80_A      F    80_A    15.373     0    0.604   1.287    17.289    0.000    0.000
LGA    N    81_A      N    81_A    14.442     0    0.042   0.082    17.514    0.000    0.000
LGA    A    82_A      A    82_A    19.340     0    0.073   0.072    22.726    0.000    0.000
LGA    Y    83_A      Y    83_A    23.295     0    0.015   1.326    25.433    0.000    0.000
LGA    L    84_A      L    84_A    22.266     0    0.039   0.201    25.112    0.000    0.000
LGA    E    85_A      E    85_A    22.980     0    0.031   1.295    26.944    0.000    0.000
LGA    A    86_A      A    86_A    28.245     0    0.050   0.051    32.084    0.000    0.000
LGA    L    87_A      L    87_A    30.793     0    0.029   1.362    34.178    0.000    0.000
LGA    G    88_A      G    88_A    31.700     0    0.274   0.274    31.700    0.000    0.000
LGA    P    89_A      P    89_A    30.031     0    0.594   0.533    34.180    0.000    0.000
LGA    D    90_A      D    90_A    27.554     0    0.377   0.976    29.599    0.000    0.000
LGA    A    91_A      A    91_A    24.348     0    0.054   0.053    25.981    0.000    0.000
LGA    V    92_A      V    92_A    20.478     0    0.031   1.022    22.491    0.000    0.000
LGA    R    93_A      R    93_A    19.311     0    0.149   1.683    24.835    0.000    0.000
LGA    T    94_A      T    94_A    18.765     0    0.018   0.081    22.515    0.000    0.000
LGA    V    95_A      V    95_A    14.742     0    0.045   0.071    17.888    0.000    0.000
LGA    Q    96_A      Q    96_A    10.930     0    0.034   0.729    12.859    1.905    0.847
LGA    D    97_A      D    97_A    11.284     0    0.036   1.383    13.747    0.357    0.179
LGA    L    98_A      L    98_A     9.854     0    0.041   1.227    14.569    6.905    3.452
LGA    T    99_A      T    99_A     4.515     0    0.061   0.224     7.301   39.881   31.769
LGA    R   100_A      R   100_A     3.982     0    0.037   1.597     9.718   32.024   19.394
LGA    R   101_A      R   101_A     7.899     0    0.058   1.488    10.949   10.595    4.069
LGA    F   102_A      F   102_A     4.461     0    0.060   0.323     6.865   25.714   36.450
LGA    V   103_A      V   103_A     6.318     0    0.027   1.325     9.717   13.452   15.918
LGA    D   104_A      D   104_A    10.031     0    0.043   1.350    13.269    1.190    0.655
LGA    V   105_A      V   105_A    12.458     0    0.037   0.086    15.218    0.000    0.000
LGA    I   106_A      I   106_A    13.098     0    0.060   1.412    16.161    0.000    0.000
LGA    R   107_A      R   107_A    15.240     0    0.292   1.399    21.666    0.000    0.000
LGA    A   108_A      A   108_A    11.168     0    0.673   0.632    13.387    0.000    0.571
LGA    D   109_A      D   109_A    13.240     0    0.426   1.317    16.988    0.000    0.000
LGA    P   110_A      P   110_A    13.224     0    0.031   0.361    14.786    0.000    0.000
LGA    E   111_A      E   111_A    14.574     0    0.061   0.265    16.020    0.000    0.000
LGA    A   112_A      A   112_A    13.433     0    0.029   0.039    13.829    0.000    0.000
LGA    I   113_A      I   113_A    11.446     0    0.036   0.621    12.151    0.000    0.238
LGA    A   114_A      A   114_A    12.710     0    0.040   0.055    13.372    0.000    0.000
LGA    K   115_A      K   115_A    13.748     0    0.037   0.840    15.881    0.000    0.000
LGA    L   116_A      L   116_A    11.582     0    0.035   0.966    12.255    0.000    0.893
LGA    L   117_A      L   117_A    10.982     0    0.214   0.962    11.187    0.000    0.655
LGA    N   118_A      N   118_A    11.916     0    0.443   0.911    18.186    0.000    0.000
LGA    I   119_A      I   119_A    12.021     0    0.577   1.327    14.146    0.119    0.060
LGA    S   120_A      S   120_A    10.700     0    0.572   0.719    11.724    1.905    1.270
LGA    K   121_A      K   121_A     7.164     0    0.061   0.065     9.947    4.167    7.407
LGA    E   122_A      E   122_A    13.595     0    0.592   0.876    21.108    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     944    944  100.00               157
SUMMARY(RMSD_GDC):    12.472         12.331                 12.920           14.199   11.340

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  116  157    4.0     30    2.47    18.790    16.837     1.166

LGA_LOCAL      RMSD:   2.473  Number of atoms:   30  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  15.889  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:  12.472  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.309533 * X  +  -0.478963 * Y  +   0.821452 * Z  +  -2.971066
  Y_new =  -0.950656 * X  +  -0.136762 * Y  +   0.278477 * Z  +  10.759172
  Z_new =  -0.021037 * X  +  -0.867117 * Y  +  -0.497661 * Z  + -17.384405 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.256023  0.021038 -2.091823   [DEG:  -71.9648    1.2054 -119.8526 ]
ZXZ:  1.897643  2.091696 -3.117337   [DEG:  108.7269  119.8454 -178.6102 ]
 
# END of job
