
#######################################################
#                                                     #
#                        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:    31      21_B - 51_B        4.93    19.43
  LONGEST_CONTINUOUS_SEGMENT:    31      22_B - 52_B        4.95    19.40
  LCS_AVERAGE:     23.25

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    18      99_B - 116_B       1.93    22.21
  LCS_AVERAGE:      9.74

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    16     101_B - 116_B       0.82    21.13
  LCS_AVERAGE:      6.51

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      3    8   10      3    3    3    5    6    7    7    9    9   10   13   16   21   26   28   30   31   32   33   35 
LCS_GDT     K     3_C     K     3_B      6    8   10      3    3    5    7    7    7    7    9    9   10   10   18   21   26   28   30   31   32   33   35 
LCS_GDT     S     4_C     S     4_B      6    8   10      5    5    6    7    7    7    7   11   14   14   15   20   22   23   26   29   30   32   33   35 
LCS_GDT     K     5_C     K     5_B      6    8   19      5    5    6    7    7    7    7    9    9   10   10   15   19   21   25   26   34   38   45   49 
LCS_GDT     M     6_C     M     6_B      6    8   25      5    5    6    7    7    7    8    9   14   17   20   22   27   38   38   48   49   53   54   57 
LCS_GDT     L     7_C     L     7_B      6    8   25      5    5    6    7    7    7   10   14   18   19   24   34   41   46   47   49   50   53   56   57 
LCS_GDT     S     8_C     S     8_B      6   13   25      5    5    6    7   10   13   14   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     N     9_C     N     9_B      6   13   25      3    5    6    7   10   13   14   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     I    10_C     I    10_B      9   13   25      3    6    9   10   11   13   14   19   21   28   32   34   41   46   47   49   50   53   56   57 
LCS_GDT     V    11_C     V    11_B      9   13   25      4    8    9   10   11   13   14   19   20   23   26   31   41   46   47   49   50   53   56   57 
LCS_GDT     I    12_C     I    12_B      9   13   25      4    8    9   10   11   13   14   19   20   23   26   31   39   46   47   49   50   53   56   57 
LCS_GDT     Q    13_C     Q    13_B      9   13   25      3    8    9   10   11   13   14   16   20   23   26   28   31   44   47   49   49   53   56   57 
LCS_GDT     E    14_C     E    14_B      9   13   25      4    8    9   10   11   13   14   19   20   23   26   28   39   44   47   49   50   53   56   57 
LCS_GDT     V    15_C     V    15_B      9   13   25      4    8    9   10   11   13   14   19   20   23   26   31   39   46   47   49   50   53   56   57 
LCS_GDT     K    16_C     K    16_B      9   13   25      4    8    9   10   11   13   14   19   20   23   26   31   41   46   47   49   50   53   56   57 
LCS_GDT     F    17_C     F    17_B      9   13   25      4    8    9   10   11   13   14   17   20   23   26   31   41   46   47   49   50   53   56   57 
LCS_GDT     A    18_C     A    18_B      9   13   25      4    8    9   10   11   13   14   14   18   23   26   32   41   46   47   49   50   53   56   57 
LCS_GDT     I    19_C     I    19_B      5   13   25      3    4    9   10   11   13   14   14   18   23   26   32   41   46   47   49   50   53   56   57 
LCS_GDT     E    20_C     E    20_B      5   13   25      3    4    6   10   11   13   14   16   22   25   32   34   41   46   47   49   50   53   56   57 
LCS_GDT     D    21_C     D    21_B      5   12   31      3    4    6    8    8   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     Y    22_C     Y    22_B      5    9   31      3    4    6    9    9    9   11   15   22   28   31   35   41   46   47   49   50   53   56   57 
LCS_GDT     C    23_C     C    23_B      5    9   31      3    4    6    9    9    9   12   15   22   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     A    24_C     A    24_B      5    9   31      3    4    6    9    9    9   14   20   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     I    25_C     I    25_B      5    9   31      3    4    6    9   10   11   14   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     L    26_C     L    26_B      5    9   31      3    5    7    9   10   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     S    27_C     S    27_B      5    9   31      3    5    7    9   10   11   14   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     F    28_C     F    28_B      5    9   31      3    4    7    9   10   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     A    29_C     A    29_B      5    9   31      3    5    7    9   10   11   11   15   22   28   31   35   41   46   47   49   50   53   56   57 
LCS_GDT     S    30_C     S    30_B      5    9   31      3    5    7    9   10   11   12   15   22   28   31   35   41   46   47   49   50   53   56   57 
LCS_GDT     D    31_C     D    31_B      4    8   31      0    4    5    6   10   11   12   16   17   21   26   31   35   37   40   46   49   52   56   57 
LCS_GDT     S    32_C     S    32_B      3    7   31      1    4    8   11   12   13   14   16   16   20   23   26   31   36   38   43   46   47   49   55 
LCS_GDT     Y    33_C     Y    33_B      3   12   31      1    3    4    6    8   11   14   15   16   20   23   26   28   32   37   40   44   47   48   52 
LCS_GDT     E    34_C     E    34_B      6   12   31      3    4    6    7    8   10   11   14   14   16   19   24   25   29   32   35   40   43   48   51 
LCS_GDT     V    35_C     V    35_B     10   13   31      3    5   10   11   12   13   14   16   17   21   26   30   35   37   40   46   49   52   56   57 
LCS_GDT     P    36_C     P    36_B     10   13   31      3    8   10   11   12   13   14   16   22   28   31   35   37   39   42   47   50   53   56   57 
LCS_GDT     E    37_C     E    37_B     10   13   31      3    8   10   11   12   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     Q    38_C     Q    38_B     10   13   31      4    8   10   11   12   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     Y    39_C     Y    39_B     10   13   31      4    8   10   11   12   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     F    40_C     F    40_B     10   13   31      4    8   10   11   12   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     I    41_C     I    41_B     10   13   31      4    8   10   11   12   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     I    42_C     I    42_B     10   13   31      4    8   10   11   12   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     T    43_C     T    43_B     10   13   31      4    8   10   11   12   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     R    44_C     R    44_B     10   13   31      4    8   10   11   12   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     S    45_C     S    45_B     10   13   31      4    8   10   11   12   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     T    46_C     T    46_B      5   13   31      4    5    9   10   12   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     T    47_C     T    47_B      5   13   31      4    5    8   10   12   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     E    48_C     E    48_B      5   13   31      4    5    9   10   12   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     R    49_C     R    49_B      3   13   31      3    3    5    7   11   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     S    50_C     S    50_B      6   11   31      3    4    6    9   10   11   13   21   24   28   32   34   41   46   47   49   50   53   56   57 
LCS_GDT     G    51_C     G    51_B      7   11   31      3    7    7    9   10   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     G    52_C     G    52_B      7   11   31      3    7    7    9   10   12   14   20   23   27   32   35   37   39   42   44   50   52   56   57 
LCS_GDT     I    53_C     I    53_B      7   11   30      3    7    7    9   10   12   14   20   22   25   31   35   37   39   42   43   46   51   56   57 
LCS_GDT     P    54_C     P    54_B      7   11   30      3    7    7    9   10   13   16   21   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     E    55_C     E    55_B      7   11   30      3    7    7    9   10   12   15   20   26   29   32   35   38   40   46   47   50   53   56   57 
LCS_GDT     G    56_C     G    56_B      7   11   30      3    7    7    9   10   12   14   20   23   29   32   35   38   40   46   47   50   53   56   57 
LCS_GDT     D    57_C     D    57_B      7   11   30      3    7    7    9   10   12   14   20   26   29   32   35   40   46   47   49   50   53   56   57 
LCS_GDT     I    58_C     I    58_B      7   11   30      3    6    7    9   10   12   14   20   26   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     Y    59_C     Y    59_B      6   11   30      3    6    7    9    9   12   14   20   23   29   32   35   41   46   47   49   50   53   56   57 
LCS_GDT     L    60_C     L    60_B      6   10   30      3    6    6    8    9   12   14   20   22   28   32   34   41   46   47   49   50   53   56   57 
LCS_GDT     E    61_C     E    61_B      4    8   30      3    4    5    7    8    9   11   14   18   20   26   33   41   46   47   49   50   53   56   57 
LCS_GDT     S    62_C     S    62_B      4    8   30      3    4    5    7    8    9   11   14   18   20   26   33   40   46   47   49   50   53   56   57 
LCS_GDT     N    63_C     N    63_B      4    8   30      3    4    7    8    8    8   12   14   16   21   32   34   41   46   47   49   50   53   56   57 
LCS_GDT     L    64_C     L    64_B      4    8   30      3    4    7    8    8    9   11   14   18   19   25   33   40   46   47   49   50   53   56   57 
LCS_GDT     F    65_C     F    65_B      4    6   30      3    4    7    8    8   10   11   14   18   19   28   33   39   44   47   49   50   53   56   57 
LCS_GDT     L    66_C     L    66_B      4    6   18      3    4    7    8    8    8   11   12   14   16   20   25   28   32   43   45   47   50   51   56 
LCS_GDT     D    67_C     D    67_B      4    6   14      3    4    4    5    6   10   13   14   16   20   22   25   27   30   31   33   36   41   45   48 
LCS_GDT     F    68_C     F    68_B      5    6   14      3    4   10   12   16   16   19   20   21   26   27   27   28   30   33   36   39   41   44   46 
LCS_GDT     N    69_C     N    69_B      5    6   15      4    4    5    5    8   10   14   19   21   26   27   27   28   30   33   36   39   41   44   46 
LCS_GDT     P    70_C     P    70_B      5    6   21      4    4    5    6    8    9   10   11   13   18   20   26   28   30   33   36   39   41   44   44 
LCS_GDT     Y    71_C     Y    71_B      5    6   22      4    4    5    5    7   10   14   19   20   22   23   25   27   29   32   36   39   41   44   45 
LCS_GDT     G    72_C     G    72_B      5    8   22      4    4    5    8    8   11   14   19   20   22   23   27   28   30   33   36   39   41   44   46 
LCS_GDT     L    73_C     L    73_B      4    8   22      3    4    5    8    9   11   14   19   20   22   23   27   28   30   33   36   39   41   44   46 
LCS_GDT     S    74_C     S    74_B      4    8   22      3    4    6    6    9   11   14   19   20   22   23   27   28   30   32   35   37   41   44   46 
LCS_GDT     G    75_C     G    75_B      5    8   22      3    5    6    6    9   11   14   19   20   22   23   27   28   30   32   35   39   41   44   46 
LCS_GDT     Y    76_C     Y    76_B      5    8   24      3    5    6    6   10   11   14   19   20   22   23   27   28   30   32   35   39   41   44   46 
LCS_GDT     L    77_C     L    77_B      5    8   24      3    5    7    7   10   11   14   19   20   22   23   27   28   30   32   35   37   41   44   46 
LCS_GDT     L    78_C     L    78_B      5    8   24      3    5    6    7   10   11   13   15   18   22   23   27   28   30   32   35   37   41   44   46 
LCS_GDT     S    79_C     S    79_B      5    8   24      3    5    6    9    9   11   13   14   14   17   19   22   25   29   31   33   36   39   44   46 
LCS_GDT     E    80_C     E    80_B      3    5   24      1    3    4    5    5    9   13   13   17   20   21   22   25   26   29   31   34   37   41   46 
LCS_GDT     P    81_C     P    81_B      4    5   24      3    3    4    6    7    9   12   17   19   20   21   22   25   26   29   31   33   37   40   45 
LCS_GDT     N    82_C     N    82_B      4    5   24      3    3    4    6    7   10   12   17   19   20   21   22   25   26   29   30   33   38   40   44 
LCS_GDT     C    83_C     C    83_B      6    8   24      3    5    7    8   10   11   12   17   19   20   21   22   25   26   33   36   39   41   44   45 
LCS_GDT     V    84_C     V    84_B      6    8   24      3    5    7    8   10   11   13   17   19   20   21   22   25   29   33   36   39   41   44   46 
LCS_GDT     D    85_C     D    85_B      6    8   24      3    5    7    8   10   11   12   17   19   20   21   22   25   27   33   36   39   41   44   46 
LCS_GDT     L    86_C     L    86_B      6    8   26      3    5    7    8   10   11   13   17   19   20   21   24   27   29   33   36   39   41   44   46 
LCS_GDT     L    87_C     L    87_B      6    8   26      3    5    7    8   10   11   13   17   19   20   21   21   25   26   32   36   39   41   44   46 
LCS_GDT     I    88_C     I    88_B      6    8   27      3    5    7    8   10   11   13   17   19   20   21   26   27   30   33   36   39   41   44   46 
LCS_GDT     E    89_C     E    89_B      6    8   28      3    5    7    8   10   11   13   17   19   20   21   24   26   29   32   35   39   41   44   45 
LCS_GDT     P    90_C     P    90_B      5    8   28      3    3    5    6   10   11   13   17   19   20   21   26   27   30   33   36   39   41   44   44 
LCS_GDT     N    91_C     N    91_B      7   11   28      3    3    7   10   11   12   13   17   19   21   23   26   28   30   33   36   39   41   44   44 
LCS_GDT     N    92_C     N    92_B      7   11   28      3    5    7   10   11   12   13   17   21   26   27   27   28   30   33   36   39   41   44   44 
LCS_GDT     Y    93_C     Y    93_B      7   11   28      4    6    7   10   11   12   13   17   19   25   27   27   28   30   33   36   39   41   44   44 
LCS_GDT     V    94_C     V    94_B      7   11   28      4    6    7   10   11   12   13   18   21   26   27   27   28   30   33   36   39   41   44   45 
LCS_GDT     R    95_C     R    95_B      7   11   28      4    6    7   10   11   12   13   16   20   26   27   27   28   30   33   36   39   41   44   44 
LCS_GDT     L    96_C     L    96_B      7   11   28      4    6    7   10   11   12   13   17   21   26   27   27   28   30   33   36   39   41   44   44 
LCS_GDT     R    97_C     R    97_B      7   11   28      3    6    7   10   11   12   13   16   20   26   27   27   28   30   33   36   39   41   44   44 
LCS_GDT     L    98_C     L    98_B      7   11   28      3    6    7   10   11   12   13   20   21   26   27   27   28   30   33   36   39   41   44   45 
LCS_GDT     I    99_C     I    99_B      7   18   28      3    6    7   10   11   15   19   20   21   26   27   27   28   30   33   36   39   41   44   45 
LCS_GDT     E   100_C     E   100_B      6   18   28      3    5    6    8   11   15   19   20   21   26   27   27   28   30   33   36   39   41   44   45 
LCS_GDT     K   101_C     K   101_B     16   18   28      6    9   14   16   16   16   19   20   20   26   27   27   28   30   33   35   35   38   44   45 
LCS_GDT     I   102_C     I   102_B     16   18   28      6   14   15   16   16   16   19   20   21   26   27   27   28   30   33   36   39   41   44   46 
LCS_GDT     D   103_C     D   103_B     16   18   28      6   14   15   16   16   16   19   20   21   26   27   27   28   30   33   36   39   41   44   46 
LCS_GDT     I   104_C     I   104_B     16   18   28     12   14   15   16   16   16   19   20   21   26   27   27   28   30   33   36   39   41   44   46 
LCS_GDT     L   105_C     L   105_B     16   18   28      6   14   15   16   16   16   19   20   21   26   27   27   28   30   33   36   39   41   44   46 
LCS_GDT     E   106_C     E   106_B     16   18   28     12   14   15   16   16   16   19   20   21   26   27   27   28   30   33   36   39   41   44   46 
LCS_GDT     V   107_C     V   107_B     16   18   28     12   14   15   16   16   16   19   20   21   26   27   27   28   30   33   36   39   41   44   46 
LCS_GDT     E   108_C     E   108_B     16   18   28     12   14   15   16   16   16   19   20   21   26   27   27   28   30   33   36   39   41   44   46 
LCS_GDT     N   109_C     N   109_B     16   18   28     12   14   15   16   16   16   19   20   21   26   27   27   28   30   33   36   39   41   44   44 
LCS_GDT     H   110_C     H   110_B     16   18   28     12   14   15   16   16   16   19   20   21   26   27   27   28   30   33   36   39   41   44   44 
LCS_GDT     L   111_C     L   111_B     16   18   28     12   14   15   16   16   16   19   20   21   26   27   27   28   30   33   36   39   41   44   44 
LCS_GDT     K   112_C     K   112_B     16   18   28     12   14   15   16   16   16   19   20   21   26   27   27   28   30   33   36   39   41   44   44 
LCS_GDT     F   113_C     F   113_B     16   18   28     12   14   15   16   16   16   19   20   21   26   27   27   28   30   33   36   39   41   44   44 
LCS_GDT     L   114_C     L   114_B     16   18   28     12   14   15   16   16   16   19   20   21   26   27   27   28   30   33   36   39   41   44   44 
LCS_GDT     F   115_C     F   115_B     16   18   28     12   14   15   16   16   16   19   20   21   26   27   27   28   30   33   35   39   41   44   44 
LCS_GDT     D   116_C     D   116_B     16   18   28     12   14   15   16   16   16   19   20   21   26   27   27   28   28   32   35   38   41   44   44 
LCS_GDT     N   117_C     N   117_B      3   17   28      3    3    3    5    7   11   16   17   18   21   22   24   27   28   28   29   30   35   39   42 
LCS_AVERAGE  LCS_A:  13.17  (   6.51    9.74   23.25 )

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     12     14     15     16     16     16     19     21     26     29     32     35     41     46     47     49     50     53     56     57 
GDT PERCENT_AT  10.34  12.07  12.93  13.79  13.79  13.79  16.38  18.10  22.41  25.00  27.59  30.17  35.34  39.66  40.52  42.24  43.10  45.69  48.28  49.14
GDT RMS_LOCAL    0.32   0.43   0.58   0.82   0.82   0.82   2.04   2.92   3.35   3.58   3.84   4.14   4.95   5.25   5.32   5.50   5.52   5.80   6.20   6.28
GDT RMS_ALL_AT  21.06  21.04  21.08  21.13  21.13  21.13  22.02  19.79  19.88  19.90  19.85  20.29  19.69  19.70  19.59  19.61  19.79  19.83  19.97  19.98

# Checking swapping
#   possible swapping detected:  E    14_C      E    14_B
#   possible swapping detected:  F    17_C      F    17_B
#   possible swapping detected:  D    21_C      D    21_B
#   possible swapping detected:  F    28_C      F    28_B
#   possible swapping detected:  Y    39_C      Y    39_B
#   possible swapping detected:  F    40_C      F    40_B
#   possible swapping detected:  E    55_C      E    55_B
#   possible swapping detected:  Y    59_C      Y    59_B
#   possible swapping detected:  Y    76_C      Y    76_B
#   possible swapping detected:  E   106_C      E   106_B
#   possible swapping detected:  E   108_C      E   108_B
#   possible swapping detected:  F   113_C      F   113_B
#   possible swapping detected:  F   115_C      F   115_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    T     2_C      T     2_B    29.915     0    0.095   0.208    32.164    0.000    0.000
LGA    K     3_C      K     3_B    25.015     0    0.020   0.212    33.136    0.000    0.000
LGA    S     4_C      S     4_B    18.591     0    0.081   0.596    20.560    0.000    0.000
LGA    K     5_C      K     5_B    15.968     0    0.067   1.140    17.134    0.000    0.000
LGA    M     6_C      M     6_B    10.892     0    0.051   0.214    12.920    0.000    1.786
LGA    L     7_C      L     7_B     8.022     0    0.618   1.429    10.244    7.024    7.976
LGA    S     8_C      S     8_B     3.855     0    0.293   0.382     5.010   39.048   48.968
LGA    N     9_C      N     9_B     3.979     0    0.435   1.246     6.572   31.548   28.512
LGA    I    10_C      I    10_B     6.523     0    0.064   0.721     7.913   13.452   16.488
LGA    V    11_C      V    11_B    10.485     0    0.054   1.342    14.025    0.357    0.204
LGA    I    12_C      I    12_B    10.695     0    0.070   0.694    13.227    0.000    0.238
LGA    Q    13_C      Q    13_B    13.029     0    0.024   0.909    14.333    0.000    0.000
LGA    E    14_C      E    14_B    12.184     0    0.066   0.755    13.404    0.119    0.053
LGA    V    15_C      V    15_B    10.699     0    0.016   1.336    13.373    0.000    0.204
LGA    K    16_C      K    16_B     9.744     0    0.059   0.509    11.895    1.786    0.952
LGA    F    17_C      F    17_B     9.312     0    0.037   1.297    11.478    0.833    0.303
LGA    A    18_C      A    18_B     8.910     0    0.207   0.265     8.911    2.857    2.857
LGA    I    19_C      I    19_B     8.405     0    0.633   1.479    11.899    3.452    2.500
LGA    E    20_C      E    20_B     8.089     0    0.670   1.318    11.514    8.452    3.810
LGA    D    21_C      D    21_B     2.951     0    0.293   0.995     5.356   43.810   40.655
LGA    Y    22_C      Y    22_B     4.889     0    0.122   0.120     7.541   28.571   19.841
LGA    C    23_C      C    23_B     4.990     0    0.126   0.772     8.630   44.167   33.492
LGA    A    24_C      A    24_B     4.204     0    0.018   0.024     5.894   30.476   29.619
LGA    I    25_C      I    25_B     3.820     0    0.019   0.103     6.697   57.976   39.405
LGA    L    26_C      L    26_B     2.310     0    0.144   0.714     7.741   47.738   34.762
LGA    S    27_C      S    27_B     3.865     0    0.022   0.120     6.488   53.810   41.587
LGA    F    28_C      F    28_B     2.864     0    0.199   1.191     7.460   42.619   40.303
LGA    A    29_C      A    29_B     6.893     0    0.047   0.063     9.228   15.714   12.857
LGA    S    30_C      S    30_B     7.121     0    0.676   0.816     9.159    5.714    7.857
LGA    D    31_C      D    31_B    13.280     0    0.698   1.007    16.630    0.000    0.000
LGA    S    32_C      S    32_B    15.488     0    0.628   0.912    17.300    0.000    0.000
LGA    Y    33_C      Y    33_B    17.431     0    0.602   0.702    21.818    0.000    0.000
LGA    E    34_C      E    34_B    17.437     0    0.662   0.977    23.528    0.000    0.000
LGA    V    35_C      V    35_B    12.467     0    0.248   1.350    14.240    0.119    0.068
LGA    P    36_C      P    36_B     7.399     0    0.018   0.286     9.991   15.952   11.020
LGA    E    37_C      E    37_B     2.007     0    0.066   0.361     4.010   66.310   66.455
LGA    Q    38_C      Q    38_B     2.111     0    0.058   0.352     7.615   63.095   39.048
LGA    Y    39_C      Y    39_B     2.329     0    0.048   1.378    10.648   61.190   40.675
LGA    F    40_C      F    40_B     4.346     0    0.108   0.168     7.788   35.952   21.212
LGA    I    41_C      I    41_B     2.857     0    0.019   0.192     3.128   51.786   57.440
LGA    I    42_C      I    42_B     3.874     0    0.029   0.095     8.126   48.452   32.440
LGA    T    43_C      T    43_B     1.676     0    0.090   0.922     2.800   68.810   70.748
LGA    R    44_C      R    44_B     2.050     0    0.049   1.128     9.263   62.857   36.753
LGA    S    45_C      S    45_B     2.240     0    0.086   0.139     4.992   66.905   58.175
LGA    T    46_C      T    46_B     2.704     0    0.127   0.191     4.515   62.857   51.905
LGA    T    47_C      T    47_B     2.308     0    0.167   0.160     4.400   66.905   55.986
LGA    E    48_C      E    48_B     3.103     0    0.112   1.081     4.599   65.238   50.476
LGA    R    49_C      R    49_B     3.481     0    0.204   1.213    11.989   40.833   20.952
LGA    S    50_C      S    50_B     5.114     0    0.035   0.526     8.227   39.167   29.127
LGA    G    51_C      G    51_B     1.924     0    0.095   0.095     3.632   59.762   59.762
LGA    G    52_C      G    52_B     6.553     0    0.031   0.031     6.553   22.024   22.024
LGA    I    53_C      I    53_B     7.175     0    0.011   0.176    13.541   14.643    7.679
LGA    P    54_C      P    54_B     3.143     0    0.069   0.084     4.834   38.929   39.184
LGA    E    55_C      E    55_B     5.876     0    0.074   1.058    12.769   21.786   10.476
LGA    G    56_C      G    56_B     7.253     0    0.112   0.112     7.253   17.976   17.976
LGA    D    57_C      D    57_B     6.475     0    0.033   0.145     9.261   17.262   11.548
LGA    I    58_C      I    58_B     4.734     0    0.046   1.059     5.867   26.310   31.131
LGA    Y    59_C      Y    59_B     6.150     0    0.072   1.221    12.121   18.214    8.611
LGA    L    60_C      L    60_B     7.115     0    0.035   0.072     9.419    7.381    6.250
LGA    E    61_C      E    61_B     9.250     0    0.646   1.162    10.801    1.667    1.323
LGA    S    62_C      S    62_B     9.562     0    0.038   0.592    11.304    1.905    1.270
LGA    N    63_C      N    63_B     8.371     0    0.636   1.257    10.936    2.976    1.964
LGA    L    64_C      L    64_B     9.440     0    0.054   1.250    14.110    6.071    3.036
LGA    F    65_C      F    65_B     9.277     0    0.163   1.391    13.450    0.714    9.048
LGA    L    66_C      L    66_B    13.587     0    0.013   0.996    14.444    0.000    0.000
LGA    D    67_C      D    67_B    18.033     0    0.076   1.049    22.283    0.000    0.000
LGA    F    68_C      F    68_B    22.015     0    0.075   1.343    23.430    0.000    0.000
LGA    N    69_C      N    69_B    27.364     0    0.223   0.795    29.891    0.000    0.000
LGA    P    70_C      P    70_B    28.921     0    0.048   0.141    30.039    0.000    0.000
LGA    Y    71_C      Y    71_B    31.555     0    0.068   0.112    35.512    0.000    0.000
LGA    G    72_C      G    72_B    29.277     0    0.571   0.571    29.543    0.000    0.000
LGA    L    73_C      L    73_B    24.489     0    0.040   1.338    26.731    0.000    0.000
LGA    S    74_C      S    74_B    27.393     0    0.680   0.761    30.309    0.000    0.000
LGA    G    75_C      G    75_B    24.343     0    0.224   0.224    25.212    0.000    0.000
LGA    Y    76_C      Y    76_B    24.682     0    0.111   1.255    32.142    0.000    0.000
LGA    L    77_C      L    77_B    26.600     0    0.044   1.353    30.588    0.000    0.000
LGA    L    78_C      L    78_B    27.828     0    0.639   0.817    31.707    0.000    0.000
LGA    S    79_C      S    79_B    32.182     0    0.647   0.773    34.306    0.000    0.000
LGA    E    80_C      E    80_B    36.168     0    0.276   1.022    40.443    0.000    0.000
LGA    P    81_C      P    81_B    33.950     0    0.144   0.477    34.483    0.000    0.000
LGA    N    82_C      N    82_B    31.968     0    0.111   0.729    32.727    0.000    0.000
LGA    C    83_C      C    83_B    30.759     0    0.542   0.495    33.407    0.000    0.000
LGA    V    84_C      V    84_B    25.715     0    0.137   1.122    27.095    0.000    0.000
LGA    D    85_C      D    85_B    27.033     0    0.060   0.082    33.580    0.000    0.000
LGA    L    86_C      L    86_B    22.797     0    0.079   1.062    25.992    0.000    0.000
LGA    L    87_C      L    87_B    26.901     0    0.036   1.390    31.681    0.000    0.000
LGA    I    88_C      I    88_B    26.248     0    0.071   0.200    30.555    0.000    0.000
LGA    E    89_C      E    89_B    31.058     0    0.055   1.320    32.229    0.000    0.000
LGA    P    90_C      P    90_B    35.271     0    0.627   0.787    38.566    0.000    0.000
LGA    N    91_C      N    91_B    31.829     0    0.052   1.240    34.618    0.000    0.000
LGA    N    92_C      N    92_B    26.240     0    0.659   0.563    28.644    0.000    0.000
LGA    Y    93_C      Y    93_B    22.391     0    0.057   1.380    24.860    0.000    0.000
LGA    V    94_C      V    94_B    19.601     0    0.050   1.304    20.081    0.000    0.000
LGA    R    95_C      R    95_B    22.385     0    0.014   0.911    34.156    0.000    0.000
LGA    L    96_C      L    96_B    20.294     0    0.118   1.214    22.785    0.000    0.000
LGA    R    97_C      R    97_B    26.311     0    0.008   1.286    35.865    0.000    0.000
LGA    L    98_C      L    98_B    25.884     0    0.116   1.232    30.438    0.000    0.000
LGA    I    99_C      I    99_B    31.464     0    0.692   0.682    33.224    0.000    0.000
LGA    E   100_C      E   100_B    34.798     0    0.661   0.811    42.038    0.000    0.000
LGA    K   101_C      K   101_B    33.076     0    0.646   1.074    35.991    0.000    0.000
LGA    I   102_C      I   102_B    29.340     0    0.077   0.123    30.267    0.000    0.000
LGA    D   103_C      D   103_B    31.737     0    0.060   0.502    35.951    0.000    0.000
LGA    I   104_C      I   104_B    26.675     0    0.060   0.240    28.915    0.000    0.000
LGA    L   105_C      L   105_B    29.849     0    0.052   1.256    33.044    0.000    0.000
LGA    E   106_C      E   106_B    30.555     0    0.035   0.824    34.033    0.000    0.000
LGA    V   107_C      V   107_B    23.830     0    0.010   1.339    26.258    0.000    0.000
LGA    E   108_C      E   108_B    22.830     0    0.036   1.061    24.272    0.000    0.000
LGA    N   109_C      N   109_B    28.120     0    0.015   0.089    33.304    0.000    0.000
LGA    H   110_C      H   110_B    25.692     0    0.063   1.140    28.933    0.000    0.000
LGA    L   111_C      L   111_B    20.759     0    0.011   1.216    22.339    0.000    0.000
LGA    K   112_C      K   112_B    24.742     0    0.049   0.552    30.974    0.000    0.000
LGA    F   113_C      F   113_B    28.835     0    0.039   1.442    34.587    0.000    0.000
LGA    L   114_C      L   114_B    24.765     0    0.017   1.244    25.681    0.000    0.000
LGA    F   115_C      F   115_B    23.629     0    0.180   0.986    26.725    0.000    0.000
LGA    D   116_C      D   116_B    30.001     0    0.610   0.748    32.407    0.000    0.000
LGA    N   117_C      N   117_B    33.404     0    0.606   1.212    38.150    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     942    942  100.00               116
SUMMARY(RMSD_GDC):    14.800         14.820                 15.754           13.393   11.112

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  116    4.0     21    2.92    21.552    18.223     0.694

LGA_LOCAL      RMSD:   2.924  Number of atoms:   21  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  19.785  Number of assigned atoms:  116 
Std_ASGN_ATOMS RMSD:  14.800  Standard rmsd on all 116 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.583093 * X  +  -0.330304 * Y  +   0.742228 * Z  + -15.339398
  Y_new =  -0.483486 * X  +   0.875299 * Y  +   0.009697 * Z  + -21.506962
  Z_new =  -0.652874 * X  +  -0.353203 * Y  +  -0.670078 * Z  +   1.780189 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -2.449314  0.711372 -2.656495   [DEG: -140.3353   40.7586 -152.2060 ]
ZXZ:  1.583860  2.305110 -2.066701   [DEG:   90.7485  132.0730 -118.4132 ]
 
# END of job
