
#######################################################
#                                                     #
#                        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  124 ( 1034),  selected  104 , name one
# Molecule2: number of CA atoms  104 (  843),  selected  104 , 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:    68      20_A - 87_A        4.78    26.32
  LONGEST_CONTINUOUS_SEGMENT:    68      21_A - 88_A        4.72    26.25
  LCS_AVERAGE:     51.93

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    30      57_A - 86_A        1.76    28.81
  LCS_AVERAGE:     17.80

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    27      59_A - 85_A        0.86    29.19
  LCS_AVERAGE:     13.11

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  104
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     K    17_A     K    17_A      3    3   15      3    3    4    7    7    8   12   14   15   18   22   25   27   28   29   32   34   34   36   38 
LCS_GDT     E    18_A     E    18_A      3    3   15      3    3    3    7    7    8   12   14   15   19   23   25   27   28   31   35   38   43   46   48 
LCS_GDT     E    19_A     E    19_A      3    3   15      3    3    3    5    7    7   12   14   15   18   22   25   27   28   29   35   38   43   46   48 
LCS_GDT     M    20_A     M    20_A      7    8   68      3    6    7    7    7    9   11   15   17   19   23   25   30   40   44   50   51   59   64   66 
LCS_GDT     N    21_A     N    21_A      7    8   68      3    6    7    8    9   11   18   19   28   36   41   47   51   57   62   64   65   66   67   67 
LCS_GDT     K    22_A     K    22_A      7    8   68      3    6    7   12   20   25   32   39   47   52   56   61   64   64   65   65   66   66   67   67 
LCS_GDT     V    23_A     V    23_A      7    8   68      4    5   10   15   19   26   39   43   49   54   57   61   64   64   65   65   66   66   67   67 
LCS_GDT     H    24_A     H    24_A      7   20   68      4    6    7   16   27   37   41   45   51   54   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     N    25_A     N    25_A     15   20   68      4   13   21   27   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     I    26_A     I    26_A     15   20   68      4   19   23   28   34   38   43   49   52   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     K    27_A     K    27_A     15   20   68     12   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     C    28_A     C    28_A     15   20   68     12   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     H    29_A     H    29_A     15   20   68      5   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     F    30_A     F    30_A     15   20   68     12   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     D    31_A     D    31_A     15   20   68     12   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     N    32_A     N    32_A     15   20   68      6   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     C    33_A     C    33_A     15   20   68     12   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     N    34_A     N    34_A     15   20   68     12   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     R    35_A     R    35_A     15   20   68     10   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     K    36_A     K    36_A     15   20   68      4   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     I    37_A     I    37_A     15   20   68     12   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     H    38_A     H    38_A     15   20   68     12   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     W    39_A     W    39_A     15   20   68      3    5    6   28   34   38   43   49   52   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     K    40_A     K    40_A     15   20   68      3   16   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     I    41_A     I    41_A      5   20   68      3    5   21   26   33   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     R    42_A     R    42_A      5   20   68      3    5    6   26   34   38   43   49   52   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     Y    43_A     Y    43_A      5   20   68      3    4    9   20   32   37   43   49   52   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     G    44_A     G    44_A      9   19   68      3    3    5   10   17   26   37   43   48   54   57   61   64   64   65   65   66   66   67   67 
LCS_GDT     K    45_A     K    45_A     11   19   68      8    8   12   16   21   33   38   44   50   54   57   61   64   64   65   65   66   66   67   67 
LCS_GDT     L    46_A     L    46_A     11   19   68      8    8   11   16   22   33   38   45   50   55   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     R    47_A     R    47_A     11   19   68      8    8   15   27   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     L    48_A     L    48_A     11   19   68      8    8   20   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     V    49_A     V    49_A     11   19   68      8    8   20   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     D    50_A     D    50_A     11   19   68      8   13   22   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     H    51_A     H    51_A     11   19   68     12   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     A    52_A     A    52_A     11   19   68     12   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     L    53_A     L    53_A     11   19   68     12   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     S    54_A     S    54_A     11   19   68     12   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     H    55_A     H    55_A     11   19   68     12   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     Q    56_A     Q    56_A     10   19   68      5   19   23   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     E    57_A     E    57_A     10   30   68      3   10   20   27   33   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     E    58_A     E    58_A      8   30   68      3    6   17   25   31   37   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     K    59_A     K    59_A     27   30   68      3   20   26   27   31   37   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     S    60_A     S    60_A     27   30   68      6   22   26   27   31   37   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     I    61_A     I    61_A     27   30   68      8   22   26   27   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     D    62_A     D    62_A     27   30   68     10   22   26   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     C    63_A     C    63_A     27   30   68     10   22   26   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     Q    64_A     Q    64_A     27   30   68      9   22   26   27   28   34   41   46   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     K    65_A     K    65_A     27   30   68      3   21   26   27   28   29   35   42   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     C    66_A     C    66_A     27   30   68      8   22   26   27   28   31   40   45   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     E    67_A     E    67_A     27   30   68      8   22   26   27   28   29   37   45   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     Y    68_A     Y    68_A     27   30   68      8   22   26   27   31   37   41   46   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     S    69_A     S    69_A     27   30   68     10   22   26   27   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     C    70_A     C    70_A     27   30   68      6   22   26   27   31   37   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     Q    71_A     Q    71_A     27   30   68      9   22   26   27   28   34   41   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     T    72_A     T    72_A     27   30   68      9   22   26   27   28   30   41   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     T    73_A     T    73_A     27   30   68      9   22   26   27   28   29   40   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     R    74_A     R    74_A     27   30   68     10   22   26   27   28   29   30   35   44   53   57   61   62   64   65   65   66   66   67   67 
LCS_GDT     Q    75_A     Q    75_A     27   30   68     10   22   26   27   28   36   41   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     M    76_A     M    76_A     27   30   68     10   22   26   27   33   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     R    77_A     R    77_A     27   30   68     10   22   26   27   28   29   30   47   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     Y    78_A     Y    78_A     27   30   68     10   22   26   27   28   36   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     H    79_A     H    79_A     27   30   68     10   22   26   27   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     Y    80_A     Y    80_A     27   30   68     10   22   26   27   31   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     K    81_A     K    81_A     27   30   68      9   22   26   27   28   35   42   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     K    82_A     K    82_A     27   30   68     12   22   26   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     I    83_A     I    83_A     27   30   68      5   22   26   28   34   38   43   49   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     H    84_A     H    84_A     27   30   68      3    9   26   27   28   30   37   45   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     A    85_A     A    85_A     27   30   68      3   21   26   27   28   29   30   39   53   57   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     N    86_A     N    86_A      4   30   68      3    5   14   23   27   30   36   44   51   54   58   61   64   64   65   65   66   66   67   67 
LCS_GDT     L    87_A     L    87_A      4    9   68      4    4    6    7    8    9   13   19   26   36   43   50   54   56   60   65   66   66   67   67 
LCS_GDT     K    88_A     K    88_A      4    9   68      4    4    6    7    8    9   10   11   12   12   18   21   28   30   37   47   54   59   60   64 
LCS_GDT     M    89_A     M    89_A      4    9   34      4    4    6    7    8    9   10   11   12   12   12   12   14   15   16   18   18   19   22   26 
LCS_GDT     E    90_A     E    90_A      4    9   16      4    4    6    7    8    9   10   11   12   12   12   12   14   15   16   18   20   21   24   27 
LCS_GDT     G    91_A     G    91_A      3    9   19      3    3    6    7    8    9   10   11   12   12   12   13   14   15   16   18   20   21   23   27 
LCS_GDT     F    92_A     F    92_A      3    9   27      3    3    5    7    8    9   10   11   12   13   14   15   18   21   22   25   27   27   29   29 
LCS_GDT     G    93_A     G    93_A      3    9   28      3    3    4    5    7   10   11   14   17   19   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     I    94_A     I    94_A      3    5   28      3    3    4    5    5    6   10   13   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     L    95_A     L    95_A      3    5   28      3    3    4    4    5    6    7   11   14   16   19   23   25   26   26   27   27   28   30   31 
LCS_GDT     N    96_A     N    96_A      4    6   28      3    4    4    5    6    9   11   13   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     I    97_A     I    97_A      4    6   28      3    4    4    5    7   10   13   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     P    98_A     P    98_A      4    6   28      3    4    4    5    6   10   13   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     L    99_A     L    99_A      4    6   28      3    4    4    5    8   11   13   15   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     Q   100_A     Q   100_A      4   13   28      3    3    4    5    6   11   12   15   16   18   19   23   24   26   26   27   27   28   29   29 
LCS_GDT     N   101_A     N   101_A     12   14   28      3    8   12   12   12   14   14   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     T   102_A     T   102_A     12   14   28      5   11   12   12   12   14   14   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     K   103_A     K   103_A     12   14   28      5   11   12   12   12   14   14   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     F   104_A     F   104_A     12   14   28      6   11   12   12   12   14   14   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     S   105_A     S   105_A     12   14   28      6   11   12   12   12   14   14   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     D   106_A     D   106_A     12   14   28      6   11   12   12   12   14   14   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     V   107_A     V   107_A     12   14   28      6   11   12   12   12   14   14   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     W   108_A     W   108_A     12   14   28      5   11   12   12   12   14   14   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     N   109_A     N   109_A     12   14   28      5   11   12   12   12   14   14   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     K   110_A     K   110_A     12   14   28      6   11   12   12   12   14   14   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     C   111_A     C   111_A     12   14   28      6   11   12   12   12   14   14   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     F   112_A     F   112_A     12   14   28      5   11   12   12   12   14   14   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     G   113_A     G   113_A      6   14   28      3    4    6    9   12   14   14   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     D   114_A     D   114_A      5   14   28      3    4    6    9   12   14   14   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     Q   115_A     Q   115_A      4    9   28      3    3    4    7    9   12   14   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     L   116_A     L   116_A      4    6   28      3    3    4    4    5    6    9   11   13   14   15   18   24   25   26   27   27   28   30   31 
LCS_GDT     K   117_A     K   117_A      4    5   28      3    3    4    4    8    9   13   15   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     T   118_A     T   118_A      4    5   28      3    3    6    8   10   12   14   16   18   20   21   23   25   26   26   27   27   28   30   31 
LCS_GDT     I   119_A     I   119_A      3    3   28      3    3    3    3    6   10   12   14   16   19   21   23   25   26   26   27   27   28   29   31 
LCS_GDT     G   120_A     G   120_A      3    3   28      0    3    3    3    7   10   12   13   16   17   17   19   22   23   26   26   27   28   29   31 
LCS_AVERAGE  LCS_A:  27.61  (  13.11   17.80   51.93 )

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     22     26     28     34     38     43     49     53     57     58     61     64     64     65     65     66     66     67     67 
GDT PERCENT_AT  11.54  21.15  25.00  26.92  32.69  36.54  41.35  47.12  50.96  54.81  55.77  58.65  61.54  61.54  62.50  62.50  63.46  63.46  64.42  64.42
GDT RMS_LOCAL    0.37   0.64   0.82   1.27   1.52   1.71   2.01   2.36   2.98   3.01   3.05   3.26   3.61   3.55   3.68   3.68   3.96   3.96   4.28   4.28
GDT RMS_ALL_AT  26.54  29.14  29.18  26.56  26.69  26.64  26.72  26.74  26.57  26.65  26.66  26.70  26.57  26.63  26.58  26.58  26.46  26.46  26.41  26.41

# Checking swapping
#   possible swapping detected:  Y    43_A      Y    43_A
#   possible swapping detected:  D    62_A      D    62_A
#   possible swapping detected:  Y    78_A      Y    78_A
#   possible swapping detected:  Y    80_A      Y    80_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F   112_A      F   112_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    K    17_A      K    17_A    33.470     4    0.658   0.617    34.981    0.000    0.000
LGA    E    18_A      E    18_A    27.776     4    0.574   0.593    30.283    0.000    0.000
LGA    E    19_A      E    19_A    24.277     4    0.702   0.648    25.752    0.000    0.000
LGA    M    20_A      M    20_A    21.003     0    0.644   1.077    22.354    0.000    0.000
LGA    N    21_A      N    21_A    15.373     0    0.671   1.297    17.198    0.000    0.000
LGA    K    22_A      K    22_A     9.233     0    0.316   1.051    11.588    2.262    1.640
LGA    V    23_A      V    23_A     7.150     0    0.075   0.093     9.186   18.929   14.354
LGA    H    24_A      H    24_A     4.786     0    0.149   1.079    13.331   36.786   16.095
LGA    N    25_A      N    25_A     2.487     0    0.593   0.528     8.192   72.976   45.833
LGA    I    26_A      I    26_A     1.471     0    0.110   1.329     3.733   83.810   71.607
LGA    K    27_A      K    27_A     0.756     0    0.137   0.873     3.568   90.476   77.778
LGA    C    28_A      C    28_A     0.818     0    0.078   0.799     1.811   90.476   86.032
LGA    H    29_A      H    29_A     0.985     0    0.230   1.164     4.995   90.476   68.476
LGA    F    30_A      F    30_A     0.563     0    0.025   0.148     1.972   95.238   84.156
LGA    D    31_A      D    31_A     0.555     0    0.022   0.169     0.905   90.476   92.857
LGA    N    32_A      N    32_A     0.679     0    0.125   1.143     3.059   88.214   80.952
LGA    C    33_A      C    33_A     0.224     0    0.082   0.104     0.778   97.619   98.413
LGA    N    34_A      N    34_A     0.567     0    0.067   0.910     3.725   92.857   74.583
LGA    R    35_A      R    35_A     0.690     0    0.051   1.404     5.737   88.214   67.749
LGA    K    36_A      K    36_A     1.166     0    0.164   0.566     2.308   83.690   78.730
LGA    I    37_A      I    37_A     0.555     0    0.074   1.002     2.887   95.238   81.310
LGA    H    38_A      H    38_A     0.309     0    0.312   0.792     4.270   88.810   73.905
LGA    W    39_A      W    39_A     2.220     0    0.083   1.113    12.368   73.095   25.680
LGA    K    40_A      K    40_A     1.575     0    0.106   1.479     3.348   81.548   70.635
LGA    I    41_A      I    41_A     2.771     0    0.636   1.574     8.664   59.286   39.583
LGA    R    42_A      R    42_A     3.078     0    0.257   1.397     6.033   54.048   43.247
LGA    Y    43_A      Y    43_A     3.655     0    0.715   1.022     7.710   37.262   40.000
LGA    G    44_A      G    44_A     6.730     0    0.232   0.232     6.730   19.524   19.524
LGA    K    45_A      K    45_A     5.841     0    0.212   0.563     8.012   24.048   18.095
LGA    L    46_A      L    46_A     5.217     0    0.044   0.939    10.364   33.214   21.071
LGA    R    47_A      R    47_A     2.961     0    0.064   1.442     6.324   59.524   50.909
LGA    L    48_A      L    48_A     2.622     0    0.040   1.490     6.721   62.976   45.357
LGA    V    49_A      V    49_A     2.675     0    0.034   0.124     3.756   62.976   56.463
LGA    D    50_A      D    50_A     1.721     0    0.038   1.089     4.778   79.643   62.202
LGA    H    51_A      H    51_A     0.446     0    0.073   0.205     1.891   92.857   84.333
LGA    A    52_A      A    52_A     1.247     0    0.068   0.088     1.521   81.429   79.714
LGA    L    53_A      L    53_A     1.201     0    0.055   1.360     5.629   81.429   65.238
LGA    S    54_A      S    54_A     1.389     0    0.201   0.224     1.725   79.286   77.143
LGA    H    55_A      H    55_A     1.399     0    0.302   1.207     2.923   79.286   76.429
LGA    Q    56_A      Q    56_A     1.108     0    0.168   0.679     3.539   83.690   74.497
LGA    E    57_A      E    57_A     1.708     4    0.116   0.119     2.691   69.048   37.884
LGA    E    58_A      E    58_A     2.933     4    0.133   0.166     3.237   57.262   31.005
LGA    K    59_A      K    59_A     3.162     0    0.182   1.146     4.581   53.571   48.836
LGA    S    60_A      S    60_A     2.849     0    0.305   0.544     4.179   69.405   59.683
LGA    I    61_A      I    61_A     1.187     0    0.035   0.654     4.828   81.548   63.690
LGA    D    62_A      D    62_A     2.715     0    0.171   1.117     3.820   59.286   58.393
LGA    C    63_A      C    63_A     3.596     0    0.102   0.108     4.386   41.905   41.349
LGA    Q    64_A      Q    64_A     5.602     0    0.235   0.762     9.271   18.333   13.598
LGA    K    65_A      K    65_A     7.821     0    0.600   1.411    11.827   10.119    4.815
LGA    C    66_A      C    66_A     6.871     0    0.135   0.627     6.971   13.333   15.317
LGA    E    67_A      E    67_A     7.213     4    0.173   0.174     8.105   14.643    7.037
LGA    Y    68_A      Y    68_A     5.070     0    0.035   0.123     5.910   32.024   39.365
LGA    S    69_A      S    69_A     2.790     0    0.064   0.720     3.694   51.905   53.730
LGA    C    70_A      C    70_A     3.162     0    0.089   0.716     3.329   55.476   56.111
LGA    Q    71_A      Q    71_A     3.942     0    0.037   1.080     9.246   43.333   24.762
LGA    T    72_A      T    72_A     4.049     0    0.058   1.108     6.765   43.452   32.381
LGA    T    73_A      T    73_A     3.927     0    0.062   1.127     6.879   40.238   34.694
LGA    R    74_A      R    74_A     5.657     0    0.037   0.972     9.988   27.619   13.030
LGA    Q    75_A      Q    75_A     4.023     0    0.046   0.808     4.607   45.714   41.640
LGA    M    76_A      M    76_A     1.854     0    0.045   0.927     3.310   64.881   67.083
LGA    R    77_A      R    77_A     4.368     0    0.040   0.974    12.865   38.690   18.528
LGA    Y    78_A      Y    78_A     3.582     0    0.027   0.185     4.099   54.048   48.611
LGA    H    79_A      H    79_A     0.851     0    0.049   0.224     3.648   79.405   68.190
LGA    Y    80_A      Y    80_A     3.182     0    0.053   0.444     4.733   48.810   49.087
LGA    K    81_A      K    81_A     3.839     0    0.031   0.595     7.864   46.667   33.016
LGA    K    82_A      K    82_A     1.620     0    0.083   0.251     3.790   64.881   65.238
LGA    I    83_A      I    83_A     3.267     0    0.658   1.685     5.443   50.119   48.095
LGA    H    84_A      H    84_A     6.885     0    0.525   0.477     9.163   11.548   13.048
LGA    A    85_A      A    85_A     6.442     0    0.106   0.103     9.075   12.500   15.238
LGA    N    86_A      N    86_A     8.955     3    0.561   0.538    12.068    3.214    2.500
LGA    L    87_A      L    87_A    14.437     0    0.346   0.395    17.026    0.000    0.000
LGA    K    88_A      K    88_A    19.310     0    0.018   1.038    21.333    0.000    0.000
LGA    M    89_A      M    89_A    24.379     0    0.121   1.114    28.316    0.000    0.000
LGA    E    90_A      E    90_A    29.427     0    0.569   1.434    32.041    0.000    0.000
LGA    G    91_A      G    91_A    35.954     0    0.602   0.602    37.959    0.000    0.000
LGA    F    92_A      F    92_A    38.404     0    0.621   0.998    38.996    0.000    0.000
LGA    G    93_A      G    93_A    41.731     0    0.577   0.577    42.514    0.000    0.000
LGA    I    94_A      I    94_A    45.274     0    0.473   1.022    52.417    0.000    0.000
LGA    L    95_A      L    95_A    43.364     0    0.623   0.518    47.743    0.000    0.000
LGA    N    96_A      N    96_A    37.215     0    0.216   1.214    39.319    0.000    0.000
LGA    I    97_A      I    97_A    34.041     0    0.033   1.075    35.617    0.000    0.000
LGA    P    98_A      P    98_A    34.339     0    0.238   0.478    34.339    0.000    0.000
LGA    L    99_A      L    99_A    33.604     0    0.148   0.953    34.161    0.000    0.000
LGA    Q   100_A      Q   100_A    35.397     0    0.386   0.727    37.991    0.000    0.000
LGA    N   101_A      N   101_A    36.252     0    0.587   0.940    38.135    0.000    0.000
LGA    T   102_A      T   102_A    38.335     0    0.063   1.197    39.575    0.000    0.000
LGA    K   103_A      K   103_A    37.259     0    0.050   0.610    38.912    0.000    0.000
LGA    F   104_A      F   104_A    37.635     0    0.053   0.103    40.603    0.000    0.000
LGA    S   105_A      S   105_A    41.994     0    0.041   0.049    44.604    0.000    0.000
LGA    D   106_A      D   106_A    43.646     0    0.029   0.091    45.284    0.000    0.000
LGA    V   107_A      V   107_A    42.584     0    0.051   1.050    44.923    0.000    0.000
LGA    W   108_A      W   108_A    44.578     0    0.042   0.273    47.745    0.000    0.000
LGA    N   109_A      N   109_A    48.816     0    0.062   0.891    51.224    0.000    0.000
LGA    K   110_A      K   110_A    49.508     0    0.055   1.037    51.377    0.000    0.000
LGA    C   111_A      C   111_A    48.822     0    0.027   0.036    51.841    0.000    0.000
LGA    F   112_A      F   112_A    51.453     0    0.645   0.540    53.277    0.000    0.000
LGA    G   113_A      G   113_A    56.945     0    0.536   0.536    60.664    0.000    0.000
LGA    D   114_A      D   114_A    62.452     3    0.516   0.483    63.185    0.000    0.000
LGA    Q   115_A      Q   115_A    61.977     0    0.700   1.176    63.172    0.000    0.000
LGA    L   116_A      L   116_A    64.622     0    0.342   1.237    66.249    0.000    0.000
LGA    K   117_A      K   117_A    65.718     0    0.670   1.089    69.218    0.000    0.000
LGA    T   118_A      T   118_A    63.756     0    0.631   1.345    64.966    0.000    0.000
LGA    I   119_A      I   119_A    58.401     0    0.575   1.089    60.590    0.000    0.000
LGA    G   120_A      G   120_A    61.207     0    0.547   0.547    62.427    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     843    843  100.00               104
SUMMARY(RMSD_GDC):    20.759         20.697                 21.099           36.102   30.486

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  104    4.0     49    2.36    39.423    35.877     1.988

LGA_LOCAL      RMSD:   2.365  Number of atoms:   49  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  26.737  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:  20.759  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.552999 * X  +  -0.463141 * Y  +   0.692598 * Z  +  -6.473944
  Y_new =   0.298676 * X  +   0.886216 * Y  +   0.354138 * Z  + -49.823059
  Z_new =  -0.777808 * X  +   0.011025 * Y  +   0.628406 * Z  + -11.248036 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.495213  0.891170  0.017542   [DEG:   28.3736   51.0603    1.0051 ]
ZXZ:  2.043458  0.891294 -1.556623   [DEG:  117.0815   51.0674  -89.1880 ]
 
# END of job
