
#######################################################
#                                                     #
#                        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  117 (  950),  selected  116 , name one
# Molecule2: number of CA atoms  116 (  942),  selected  116 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:C  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    61      57_B - 117_B       4.53    16.43
  LCS_AVERAGE:     36.16

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      70_B - 100_B       1.88    16.54
  LCS_AVERAGE:     14.05

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17      81_B - 97_B        0.96    16.59
  LONGEST_CONTINUOUS_SEGMENT:    17      82_B - 98_B        0.98    16.75
  LCS_AVERAGE:      7.27

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     T     2_C     T     2_B      5    5   12      3    4    5    5    5    6    8    8    9   10   10   10   11   11   14   16   17   24   27   28 
LCS_GDT     K     3_C     K     3_B      5    5   14      3    4    5    5    5    7    8    9    9   10   10   13   13   14   14   16   17   19   23   28 
LCS_GDT     S     4_C     S     4_B      5    5   15      3    4    5    5    7    7    8    9   10   11   12   13   14   16   18   20   22   24   27   29 
LCS_GDT     K     5_C     K     5_B      5    7   16      3    4    5    5    7    7    8    9   12   12   13   15   16   18   24   26   27   27   28   29 
LCS_GDT     M     6_C     M     6_B      5    7   18      3    4    5    5    7    8    9   11   12   13   16   18   23   24   25   26   27   27   28   29 
LCS_GDT     L     7_C     L     7_B      4    7   18      3    4    4    5    5    7    8   11   12   13   20   20   23   24   25   26   27   27   28   29 
LCS_GDT     S     8_C     S     8_B      5    9   18      3    4    5    7    8    9   11   13   16   16   20   20   23   24   25   26   27   27   28   29 
LCS_GDT     N     9_C     N     9_B      6    9   18      3    4    6    7    8    9   11   13   16   16   20   20   23   24   25   26   27   27   28   29 
LCS_GDT     I    10_C     I    10_B      6    9   18      4    5    6    7    8    9   11   13   16   16   20   20   23   24   25   26   27   27   28   29 
LCS_GDT     V    11_C     V    11_B      6    9   18      4    5    6    7    8    9   11   13   16   16   20   20   23   24   25   26   27   27   28   29 
LCS_GDT     I    12_C     I    12_B      6    9   18      4    5    6    7    8    9   11   13   16   16   20   20   23   24   25   26   27   27   28   29 
LCS_GDT     Q    13_C     Q    13_B      6    9   18      4    5    6    7    8    9   11   13   16   16   20   20   23   24   25   26   27   27   28   29 
LCS_GDT     E    14_C     E    14_B      6    9   18      3    5    6    7    8    9   11   13   16   16   20   20   23   24   25   26   27   27   32   36 
LCS_GDT     V    15_C     V    15_B      5    9   18      4    4    6    6    8    9    9   11   13   16   20   20   23   24   25   26   27   27   28   29 
LCS_GDT     K    16_C     K    16_B      5    9   18      4    5    6    7    8    9   11   13   16   16   20   20   26   44   50   53   66   69   74   76 
LCS_GDT     F    17_C     F    17_B      5    8   18      4    5    6    6    8    9   11   13   16   23   33   58   63   65   68   70   72   73   75   76 
LCS_GDT     A    18_C     A    18_B      5    8   18      4    5    6   17   26   28   33   43   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     I    19_C     I    19_B      5    8   18      4    5    8   13   20   27   33   42   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     E    20_C     E    20_B      5    8   18      4    5    8    8   10   11   11   13   17   22   31   36   52   59   61   65   67   71   74   76 
LCS_GDT     D    21_C     D    21_B      3    8   18      0    3    8    9   10   11   11   13   13   15   16   25   27   30   36   47   53   58   59   68 
LCS_GDT     Y    22_C     Y    22_B      3    8   18      3    3    4    6    8    9   11   13   15   16   20   20   23   24   28   28   39   44   53   55 
LCS_GDT     C    23_C     C    23_B      3   10   18      3    3    5    7    9   10   10   13   15   16   19   20   22   24   28   37   39   45   57   63 
LCS_GDT     A    24_C     A    24_B      5   10   17      3    4    5    7    9   10   10   13   15   16   19   20   22   24   28   30   37   44   48   55 
LCS_GDT     I    25_C     I    25_B      5   10   15      4    4    5    7    9   10   10   13   15   16   19   20   22   24   28   32   37   44   51   63 
LCS_GDT     L    26_C     L    26_B      5   10   15      4    4    5    7    9   10   10   13   15   16   19   20   32   35   46   51   58   66   69   72 
LCS_GDT     S    27_C     S    27_B      5   10   16      4    4    5    7    9   10   10   13   15   20   22   31   34   40   46   51   59   67   69   72 
LCS_GDT     F    28_C     F    28_B      5   10   21      4    4    5    7    9   10   10   12   16   24   25   31   36   43   58   62   66   67   69   72 
LCS_GDT     A    29_C     A    29_B      5   10   21      3    4    5    7    9   10   10   11   16   16   22   24   24   26   32   40   51   58   63   70 
LCS_GDT     S    30_C     S    30_B      5   10   21      3    4    5    7    9   10   10   11   12   14   22   24   24   26   31   36   40   43   46   54 
LCS_GDT     D    31_C     D    31_B      3   10   25      3    3    5    7    9   10   10   11   12   14   16   18   20   22   26   27   40   43   46   49 
LCS_GDT     S    32_C     S    32_B      3   10   25      3    3    5    7    9   10   13   15   17   20   22   23   23   23   31   36   40   43   46   49 
LCS_GDT     Y    33_C     Y    33_B      3    4   25      3    3    4    5    7   10   13   15   17   20   22   23   23   23   26   30   33   35   39   43 
LCS_GDT     E    34_C     E    34_B      4    5   25      3    4    4    5   10   13   15   15   17   20   22   23   23   23   26   29   32   35   44   51 
LCS_GDT     V    35_C     V    35_B      4   14   25      3    4    6    9   12   13   15   17   18   20   22   28   33   40   44   51   58   63   69   72 
LCS_GDT     P    36_C     P    36_B      4   14   25      3    4    4    9   12   14   17   21   25   32   40   51   54   57   62   65   66   67   69   72 
LCS_GDT     E    37_C     E    37_B      4   14   25      3    4    4    9   12   14   29   37   44   52   57   60   61   63   65   66   67   71   74   76 
LCS_GDT     Q    38_C     Q    38_B      4   14   25      3    4   13   27   33   37   42   47   51   57   60   63   64   64   68   70   72   73   75   76 
LCS_GDT     Y    39_C     Y    39_B      6   14   25      3    4    6   13   21   28   40   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     F    40_C     F    40_B      6   14   25      3    5    7    9   12   22   35   42   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     I    41_C     I    41_B      6   14   25      3    5    7   13   20   26   35   44   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     I    42_C     I    42_B      6   14   25      3    5    7   13   20   27   35   44   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     T    43_C     T    43_B      6   14   25      3    5    7   13   20   26   33   39   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     R    44_C     R    44_B      6   14   25      3    5    7    9   20   25   33   39   47   56   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     S    45_C     S    45_B      6   14   25      3    5    7    8   12   25   32   40   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     T    46_C     T    46_B      4   14   25      3    4    6    9   12   26   40   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     T    47_C     T    47_B      4   14   25      3    4    6    9   12   29   38   47   51   57   60   63   64   64   67   70   72   73   75   76 
LCS_GDT     E    48_C     E    48_B      3   14   25      3    4    6    9   12   13   15   40   43   43   48   51   58   60   63   66   68   72   75   76 
LCS_GDT     R    49_C     R    49_B      4   12   25      3    4   14   19   23   35   38   40   43   49   52   55   60   62   65   67   69   73   75   76 
LCS_GDT     S    50_C     S    50_B      4   12   25      3    4    6    8   11   23   28   32   43   43   46   51   55   57   63   65   66   68   71   73 
LCS_GDT     G    51_C     G    51_B      4    7   25      3    4    5    6   10   12   17   20   20   33   46   48   55   58   61   65   66   68   71   73 
LCS_GDT     G    52_C     G    52_B      4    7   25      3    4    5    6    6    7   12   17   18   29   38   44   54   59   62   64   67   69   71   74 
LCS_GDT     I    53_C     I    53_B      4    8   25      3    4    5    6    8   11   11   12   13   19   24   28   35   40   46   50   59   64   68   71 
LCS_GDT     P    54_C     P    54_B      5    8   25      3    4    7    9   10   11   11   13   15   20   22   23   23   23   30   34   46   51   56   64 
LCS_GDT     E    55_C     E    55_B      6    8   25      3    4    8    9   10   11   11   13   13   15   20   20   23   24   26   29   38   48   51   55 
LCS_GDT     G    56_C     G    56_B      6    8   13      3    4    8    9   10   11   11   13   16   16   20   20   23   31   35   48   51   52   67   69 
LCS_GDT     D    57_C     D    57_B      6    8   61      3    4    8    9   10   11   11   13   19   21   27   34   45   52   56   64   67   70   74   76 
LCS_GDT     I    58_C     I    58_B      6    8   61      3    4    8    9   10   11   13   20   28   38   49   61   64   64   66   68   70   73   75   76 
LCS_GDT     Y    59_C     Y    59_B      6    8   61      3    4    8   11   14   16   25   26   34   49   59   63   64   65   68   70   72   73   75   76 
LCS_GDT     L    60_C     L    60_B      6    8   61      3    4    7    9   10   11   11   13   19   24   33   51   57   61   68   70   72   73   75   76 
LCS_GDT     E    61_C     E    61_B      4    6   61      3    7   13   24   26   28   30   38   44   48   49   54   57   62   68   70   72   73   75   76 
LCS_GDT     S    62_C     S    62_B      4    6   61      3    4    7   15   26   26   30   32   39   45   49   54   57   61   67   70   72   73   75   76 
LCS_GDT     N    63_C     N    63_B      4    6   61      3    4    5    5   18   23   30   32   39   46   49   54   57   61   67   70   72   73   75   76 
LCS_GDT     L    64_C     L    64_B      4    6   61      3    4    5    5    6    7    8   15   26   29   36   50   56   59   67   70   72   73   75   76 
LCS_GDT     F    65_C     F    65_B      3    6   61      3    3    4    5    6    7    8   20   26   35   46   54   57   65   68   70   72   73   75   76 
LCS_GDT     L    66_C     L    66_B      3    6   61      3    3    7    8   13   18   24   34   41   46   51   58   63   65   68   70   72   73   75   76 
LCS_GDT     D    67_C     D    67_B      4    6   61      3    3    5    6   12   18   22   36   41   46   54   59   63   65   68   70   72   73   75   76 
LCS_GDT     F    68_C     F    68_B      4    6   61      3    3    5    6    9   18   25   36   41   49   59   63   64   65   68   70   72   73   75   76 
LCS_GDT     N    69_C     N    69_B      4    6   61      3    3    5    6    9   16   21   36   41   47   56   63   64   65   68   70   72   73   75   76 
LCS_GDT     P    70_C     P    70_B      4   31   61      1    4    6   12   16   27   33   43   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     Y    71_C     Y    71_B      4   31   61      3    4    9   24   28   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     G    72_C     G    72_B      9   31   61      5   16   22   25   28   37   43   45   50   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     L    73_C     L    73_B     15   31   61      6   16   22   25   32   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     S    74_C     S    74_B     15   31   61      8   13   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     G    75_C     G    75_B     15   31   61      6   16   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     Y    76_C     Y    76_B     15   31   61      6   16   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     L    77_C     L    77_B     15   31   61      8   15   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     L    78_C     L    78_B     15   31   61      8   15   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     S    79_C     S    79_B     15   31   61      8   15   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     E    80_C     E    80_B     15   31   61      3    6   18   30   34   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     P    81_C     P    81_B     17   31   61      6   15   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     N    82_C     N    82_B     17   31   61      8   16   22   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     C    83_C     C    83_B     17   31   61      8   16   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     V    84_C     V    84_B     17   31   61      8   16   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     D    85_C     D    85_B     17   31   61      8   16   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     L    86_C     L    86_B     17   31   61      8   16   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     L    87_C     L    87_B     17   31   61      7   16   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     I    88_C     I    88_B     17   31   61      5   16   22   27   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     E    89_C     E    89_B     17   31   61      3   14   22   25   31   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     P    90_C     P    90_B     17   31   61      3   12   22   25   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     N    91_C     N    91_B     17   31   61      3   10   22   25   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     N    92_C     N    92_B     17   31   61      6   16   22   25   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     Y    93_C     Y    93_B     17   31   61      6   13   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     V    94_C     V    94_B     17   31   61      8   16   22   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     R    95_C     R    95_B     17   31   61      6   16   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     L    96_C     L    96_B     17   31   61      8   16   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     R    97_C     R    97_B     17   31   61      8   16   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     L    98_C     L    98_B     17   31   61      4    8   19   24   29   37   42   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     I    99_C     I    99_B      4   31   61      4    4    5   17   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     E   100_C     E   100_B      4   31   61      4    4    4    9   34   39   43   45   49   55   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     K   101_C     K   101_B      4   18   61      4    4    4    5    5    8   15   33   45   48   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     I   102_C     I   102_B      3   18   61      3    3   11   22   26   34   42   45   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     D   103_C     D   103_B     14   18   61      8   12   14   31   34   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     I   104_C     I   104_B     14   18   61      8   12   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     L   105_C     L   105_B     14   18   61      8   12   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     E   106_C     E   106_B     14   18   61      8   12   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     V   107_C     V   107_B     14   18   61      8   12   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     E   108_C     E   108_B     14   18   61      8   12   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     N   109_C     N   109_B     14   18   61      8   12   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     H   110_C     H   110_B     14   18   61      8   12   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     L   111_C     L   111_B     14   18   61      8   13   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     K   112_C     K   112_B     14   18   61      8   12   24   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     F   113_C     F   113_B     14   18   61      8   12   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     L   114_C     L   114_B     14   18   61      8   13   25   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     F   115_C     F   115_B     14   18   61      8   12   24   31   35   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     D   116_C     D   116_B     14   18   61      5   12   17   27   34   39   43   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_GDT     N   117_C     N   117_B      3   16   61      3    5    9   12   21   34   41   47   51   57   60   63   64   65   68   70   72   73   75   76 
LCS_AVERAGE  LCS_A:  19.16  (   7.27   14.05   36.16 )

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      8     16     25     31     35     39     43     47     51     57     60     63     64     65     68     70     72     73     75     76 
GDT PERCENT_AT   6.90  13.79  21.55  26.72  30.17  33.62  37.07  40.52  43.97  49.14  51.72  54.31  55.17  56.03  58.62  60.34  62.07  62.93  64.66  65.52
GDT RMS_LOCAL    0.16   0.71   1.13   1.30   1.72   1.84   2.08   2.50   2.84   3.24   3.40   3.67   3.78   4.08   4.32   4.51   4.64   4.73   4.96   5.06
GDT RMS_ALL_AT  16.76  16.91  16.82  16.83  16.58  16.60  16.53  16.40  16.36  16.29  16.29  16.25  16.23  16.27  16.25  16.27  16.26  16.24  16.24  16.22

# Checking swapping
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  D    21_C      D    21_B
#   possible swapping detected:  Y    22_C      Y    22_B
#   possible swapping detected:  F    28_C      F    28_B
#   possible swapping detected:  E    34_C      E    34_B
#   possible swapping detected:  E    37_C      E    37_B
#   possible swapping detected:  Y    39_C      Y    39_B
#   possible swapping detected:  F    65_C      F    65_B
#   possible swapping detected:  F    68_C      F    68_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E    89_C      E    89_B
#   possible swapping detected:  E   100_C      E   100_B
#   possible swapping detected:  D   103_C      D   103_B
#   possible swapping detected:  F   113_C      F   113_B
#   possible swapping detected:  D   116_C      D   116_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B    47.215     0    0.090   1.085    48.780    0.000    0.000
LGA    K     3_C      K     3_B    45.533     0    0.043   1.121    49.528    0.000    0.000
LGA    S     4_C      S     4_B    43.835     0    0.125   0.232    45.092    0.000    0.000
LGA    K     5_C      K     5_B    41.984     0    0.590   1.053    42.663    0.000    0.000
LGA    M     6_C      M     6_B    42.000     0    0.152   0.681    44.537    0.000    0.000
LGA    L     7_C      L     7_B    41.333     0    0.673   0.589    41.880    0.000    0.000
LGA    S     8_C      S     8_B    42.869     0    0.072   0.115    43.214    0.000    0.000
LGA    N     9_C      N     9_B    42.428     0    0.040   0.966    45.495    0.000    0.000
LGA    I    10_C      I    10_B    40.382     0    0.074   1.611    40.607    0.000    0.000
LGA    V    11_C      V    11_B    37.109     0    0.046   0.092    40.476    0.000    0.000
LGA    I    12_C      I    12_B    30.536     0    0.029   0.738    32.704    0.000    0.000
LGA    Q    13_C      Q    13_B    27.132     0    0.678   0.898    32.949    0.000    0.000
LGA    E    14_C      E    14_B    21.388     0    0.049   0.787    23.351    0.000    0.000
LGA    V    15_C      V    15_B    20.528     0    0.574   0.573    24.154    0.000    0.000
LGA    K    16_C      K    16_B    14.525     0    0.067   1.237    16.965    0.000    0.000
LGA    F    17_C      F    17_B    10.308     0    0.149   1.452    11.325    3.690    4.113
LGA    A    18_C      A    18_B     7.383     0    0.032   0.056     8.896    9.524    8.190
LGA    I    19_C      I    19_B     7.418     0    0.129   1.093    11.134    5.714    4.881
LGA    E    20_C      E    20_B    11.324     0    0.151   0.938    12.382    0.357    0.159
LGA    D    21_C      D    21_B    16.116     0    0.351   1.038    18.662    0.000    0.000
LGA    Y    22_C      Y    22_B    19.954     0    0.576   1.434    26.919    0.000    0.000
LGA    C    23_C      C    23_B    18.806     0    0.144   0.721    19.755    0.000    0.000
LGA    A    24_C      A    24_B    18.835     0    0.110   0.128    18.879    0.000    0.000
LGA    I    25_C      I    25_B    17.588     0    0.108   1.496    21.564    0.000    0.000
LGA    L    26_C      L    26_B    13.281     0    0.103   0.950    14.657    0.000    0.000
LGA    S    27_C      S    27_B    13.568     0    0.058   0.202    16.857    0.000    0.000
LGA    F    28_C      F    28_B    11.869     0    0.200   1.209    13.179    0.000    0.000
LGA    A    29_C      A    29_B    16.728     0    0.056   0.077    19.126    0.000    0.000
LGA    S    30_C      S    30_B    18.893     0    0.587   0.763    22.478    0.000    0.000
LGA    D    31_C      D    31_B    24.508     0    0.569   1.130    24.983    0.000    0.000
LGA    S    32_C      S    32_B    25.064     0    0.290   0.666    27.737    0.000    0.000
LGA    Y    33_C      Y    33_B    26.752     0    0.647   1.584    32.864    0.000    0.000
LGA    E    34_C      E    34_B    24.753     0    0.678   0.698    30.593    0.000    0.000
LGA    V    35_C      V    35_B    17.777     0    0.372   0.374    20.332    0.000    0.000
LGA    P    36_C      P    36_B    13.429     0    0.090   0.093    15.655    0.000    0.000
LGA    E    37_C      E    37_B     8.186     0    0.643   1.215     9.956   14.524   12.063
LGA    Q    38_C      Q    38_B     2.541     0    0.038   0.399     7.312   52.619   39.259
LGA    Y    39_C      Y    39_B     4.376     0    0.106   1.110    13.173   36.190   15.516
LGA    F    40_C      F    40_B     5.828     0    0.217   0.997    11.565   23.929   11.861
LGA    I    41_C      I    41_B     6.196     0    0.180   1.110     8.844   18.214   15.655
LGA    I    42_C      I    42_B     5.758     0    0.034   1.079     7.164   19.286   28.512
LGA    T    43_C      T    43_B     7.112     0    0.063   1.269     8.458   11.667   13.265
LGA    R    44_C      R    44_B     7.496     0    0.106   1.476    12.603   10.000    5.714
LGA    S    45_C      S    45_B     7.334     0    0.105   0.673     9.068   14.643   10.476
LGA    T    46_C      T    46_B     4.238     0    0.125   1.148     5.027   31.667   37.143
LGA    T    47_C      T    47_B     4.707     0    0.099   1.008     7.289   32.857   24.014
LGA    E    48_C      E    48_B     7.451     0    0.528   1.061    13.363   14.524    6.772
LGA    R    49_C      R    49_B     5.502     0    0.629   0.691     6.595   16.310   34.416
LGA    S    50_C      S    50_B     9.576     0    0.668   0.844    11.062    1.786    1.190
LGA    G    51_C      G    51_B    11.940     0    0.197   0.197    12.107    0.000    0.000
LGA    G    52_C      G    52_B    13.942     0    0.204   0.204    16.534    0.000    0.000
LGA    I    53_C      I    53_B    18.534     0    0.140   0.502    22.276    0.000    0.000
LGA    P    54_C      P    54_B    19.299     0    0.037   0.114    21.182    0.000    0.000
LGA    E    55_C      E    55_B    19.006     0    0.195   1.068    22.447    0.000    0.000
LGA    G    56_C      G    56_B    17.329     0    0.098   0.098    18.228    0.000    0.000
LGA    D    57_C      D    57_B    14.010     0    0.083   0.147    17.901    0.119    0.060
LGA    I    58_C      I    58_B    10.165     0    0.032   1.207    13.419    0.357    0.179
LGA    Y    59_C      Y    59_B     7.470     0    0.240   1.399    12.297    9.286    7.659
LGA    L    60_C      L    60_B    10.117     0    0.213   1.114    14.025    0.595    0.298
LGA    E    61_C      E    61_B     9.169     0    0.066   0.909     9.721    0.952    6.878
LGA    S    62_C      S    62_B    10.538     0    0.130   0.701    12.802    0.000    0.000
LGA    N    63_C      N    63_B    10.419     0    0.637   1.294    12.416    0.000    0.833
LGA    L    64_C      L    64_B    10.522     0    0.629   0.715    12.511    0.119    0.119
LGA    F    65_C      F    65_B    10.835     0    0.388   1.091    13.514    0.000    0.000
LGA    L    66_C      L    66_B    12.349     0    0.566   0.962    13.988    0.000    0.000
LGA    D    67_C      D    67_B    11.260     0    0.603   1.382    14.134    0.000    0.000
LGA    F    68_C      F    68_B     9.540     0    0.116   1.397    10.083    0.238   14.069
LGA    N    69_C      N    69_B     9.596     0    0.177   1.006    13.281    9.524    4.762
LGA    P    70_C      P    70_B     5.684     0    0.654   0.644     9.923   29.643   18.095
LGA    Y    71_C      Y    71_B     3.633     0    0.532   1.467     7.510   45.476   39.722
LGA    G    72_C      G    72_B     4.711     0    0.604   0.604     4.711   39.048   39.048
LGA    L    73_C      L    73_B     3.640     0    0.041   0.743     6.214   41.905   33.095
LGA    S    74_C      S    74_B     2.189     0    0.212   0.621     2.378   64.762   64.762
LGA    G    75_C      G    75_B     2.528     0    0.132   0.132     2.528   62.857   62.857
LGA    Y    76_C      Y    76_B     1.612     0    0.089   1.316     7.884   70.833   52.341
LGA    L    77_C      L    77_B     1.375     0    0.039   0.182     1.477   83.690   82.560
LGA    L    78_C      L    78_B     1.330     0    0.091   1.148     3.592   77.143   71.369
LGA    S    79_C      S    79_B     1.834     0    0.050   0.614     4.491   72.857   65.556
LGA    E    80_C      E    80_B     2.063     0    0.602   0.960     5.722   55.238   53.016
LGA    P    81_C      P    81_B     1.082     0    0.304   0.517     2.088   83.690   77.891
LGA    N    82_C      N    82_B     2.175     0    0.377   0.753     2.739   60.952   60.952
LGA    C    83_C      C    83_B     1.124     0    0.033   0.110     1.413   81.429   84.444
LGA    V    84_C      V    84_B     0.879     0    0.046   0.092     1.572   92.857   86.735
LGA    D    85_C      D    85_B     0.712     0    0.037   0.166     1.154   88.214   88.214
LGA    L    86_C      L    86_B     1.262     0    0.047   1.360     5.178   85.952   70.595
LGA    L    87_C      L    87_B     0.736     0    0.144   0.153     2.037   83.810   81.667
LGA    I    88_C      I    88_B     2.579     0    0.161   0.214     3.643   57.500   56.548
LGA    E    89_C      E    89_B     3.650     0    0.611   1.099     7.680   42.024   32.857
LGA    P    90_C      P    90_B     3.274     0    0.572   0.768     6.336   50.119   37.891
LGA    N    91_C      N    91_B     3.189     0    0.048   1.329     6.615   50.000   42.976
LGA    N    92_C      N    92_B     3.093     0    0.069   0.088     4.465   57.381   48.036
LGA    Y    93_C      Y    93_B     1.013     0    0.158   1.335     4.305   72.976   64.960
LGA    V    94_C      V    94_B     1.920     0    0.023   0.881     3.852   77.143   65.714
LGA    R    95_C      R    95_B     1.841     0    0.079   1.457     8.521   68.810   52.078
LGA    L    96_C      L    96_B     1.206     0    0.151   0.823     3.165   83.690   77.619
LGA    R    97_C      R    97_B     1.143     0    0.216   0.702     2.090   81.429   79.134
LGA    L    98_C      L    98_B     2.674     0    0.403   0.473    10.423   63.333   36.429
LGA    I    99_C      I    99_B     3.539     0    0.052   0.302     8.803   57.738   35.714
LGA    E   100_C      E   100_B     3.997     0    0.668   1.467    10.364   37.262   20.317
LGA    K   101_C      K   101_B     6.400     0    0.061   0.993    10.022   20.833   10.476
LGA    I   102_C      I   102_B     5.233     0    0.591   1.623    11.482   30.476   20.536
LGA    D   103_C      D   103_B     2.876     0    0.593   1.387     6.754   64.881   44.702
LGA    I   104_C      I   104_B     2.004     0    0.088   0.208     2.316   68.810   71.905
LGA    L   105_C      L   105_B     1.578     0    0.058   0.062     1.839   72.857   72.857
LGA    E   106_C      E   106_B     1.756     0    0.050   0.184     3.314   70.833   64.974
LGA    V   107_C      V   107_B     2.018     0    0.030   0.098     2.424   70.833   68.231
LGA    E   108_C      E   108_B     1.697     0    0.075   0.329     1.993   72.857   75.767
LGA    N   109_C      N   109_B     2.535     0    0.064   0.871     4.190   57.262   52.083
LGA    H   110_C      H   110_B     2.562     0    0.040   0.924     5.025   62.857   52.333
LGA    L   111_C      L   111_B     1.342     0    0.039   1.365     4.308   75.000   66.607
LGA    K   112_C      K   112_B     2.558     0    0.066   0.769     5.411   59.048   52.328
LGA    F   113_C      F   113_B     3.067     0    0.053   1.400     8.530   55.357   33.377
LGA    L   114_C      L   114_B     1.947     0    0.029   0.910     3.704   70.833   69.226
LGA    F   115_C      F   115_B     1.964     0    0.246   1.057     7.366   66.905   47.316
LGA    D   116_C      D   116_B     2.925     0    0.199   1.079     6.050   69.405   53.155
LGA    N   117_C      N   117_B     3.620     0    0.592   1.435     9.014   50.357   30.179

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      116     464    464  100.00     942    942  100.00               116
SUMMARY(RMSD_GDC):    15.600         15.500                 15.725           29.292   25.666

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0     47    2.50    35.345    31.769     1.808

LGA_LOCAL      RMSD:   2.500  Number of atoms:   47  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  16.396  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:  15.600  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.974536 * X  +   0.162750 * Y  +   0.154249 * Z  + -28.163273
  Y_new =   0.222537 * X  +   0.617512 * Y  +   0.754425 * Z  + -31.482882
  Z_new =   0.027532 * X  +   0.769540 * Y  +  -0.638005 * Z  +  -5.036651 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.917091 -0.027536  2.263015   [DEG:  167.1370   -1.5777  129.6612 ]
ZXZ:  2.939913  2.262701  0.035762   [DEG:  168.4446  129.6432    2.0490 ]
 
# END of job
