
#######################################################
#                                                     #
#                        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  104 (  846),  selected  104 , name one
# Molecule2: number of CA atoms  157 ( 1259),  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:    42      25_A - 66_A        5.00    13.41
  LCS_AVERAGE:     21.46

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22      33_A - 54_A        1.96    13.78
  LCS_AVERAGE:      8.57

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    17      91_A - 107_A       0.83    18.64
  LCS_AVERAGE:      5.70

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     H    17_A     H    17_A      9   10   39      9    9   10   10   10   10   11   18   27   31   33   34   34   35   37   38   39   43   43   44 
LCS_GDT     T    18_A     T    18_A      9   10   39      9    9   10   10   10   10   11   12   13   16   18   20   23   30   33   37   39   43   43   44 
LCS_GDT     R    19_A     R    19_A      9   10   39      9    9   10   10   10   10   11   12   18   20   20   23   29   32   33   37   39   43   43   44 
LCS_GDT     L    20_A     L    20_A      9   10   39      9    9   10   18   18   19   20   22   27   31   33   34   34   35   37   38   39   43   44   47 
LCS_GDT     V    21_A     V    21_A      9   10   39      9    9   10   10   15   18   20   23   27   31   33   34   37   39   40   43   49   54   59   61 
LCS_GDT     H    22_A     H    22_A      9   10   39      9    9   10   10   10   10   11   12   26   31   33   34   34   35   38   39   44   50   55   61 
LCS_GDT     R    23_A     R    23_A      9   10   39      9    9   15   15   19   20   20   22   27   30   32   34   34   35   36   38   39   43   44   47 
LCS_GDT     L    24_A     L    24_A      9   10   39      9    9   10   10   13   18   19   22   27   31   33   34   34   35   37   41   44   46   51   59 
LCS_GDT     A    25_A     A    25_A      9   10   42      9    9   10   13   15   18   20   23   27   31   33   36   37   39   40   44   49   57   60   62 
LCS_GDT     G    26_A     G    26_A      5   10   42      5    5    6    6   10   16   20   22   27   31   33   34   35   39   41   44   50   57   60   62 
LCS_GDT     I    27_A     I    27_A      5    7   42      5    5    6    6    8   11   20   22   27   31   33   36   37   40   45   49   52   57   60   62 
LCS_GDT     E    28_A     E    28_A      5    7   42      5    5    6   11   12   17   22   25   31   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     P    29_A     P    29_A      5   11   42      5    8   10   14   19   22   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     D    30_A     D    30_A      8   20   42      4    7   11   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     P    31_A     P    31_A      8   20   42      5    7   12   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     R    32_A     R    32_A      8   20   42      5    7    9   16   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     F    33_A     F    33_A      8   22   42      5    7   11   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     E    34_A     E    34_A      8   22   42      4    7   12   16   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     I    35_A     I    35_A      8   22   42      5    7    9   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     L    36_A     L    36_A      8   22   42      5    7   11   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     D    37_A     D    37_A      8   22   42      4   10   12   18   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     K    38_A     K    38_A     12   22   42      7   10   12   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     Y    39_A     Y    39_A     12   22   42      7   11   12   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     I    40_A     I    40_A     12   22   42      4   11   12   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     F    41_A     F    41_A     12   22   42      4   11   12   16   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     R    42_A     R    42_A     12   22   42      4   11   12   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     Q    43_A     Q    43_A     12   22   42      7   11   12   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     I    44_A     I    44_A     12   22   42      7   11   12   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     V    45_A     V    45_A     12   22   42      7   11   12   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     A    46_A     A    46_A     12   22   42      7   11   12   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     D    47_A     D    47_A     12   22   42      7   11   12   17   22   27   28   31   34   35   36   38   39   45   51   51   52   56   60   62 
LCS_GDT     N    48_A     N    48_A     12   22   42      7   11   12   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     P    49_A     P    49_A     12   22   42      5   11   12   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     E    50_A     E    50_A      6   22   42      5    5    8   13   16   21   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     E    51_A     E    51_A      7   22   42      6    7    8   11   16   21   26   31   34   35   36   38   39   45   51   51   52   57   60   62 
LCS_GDT     R    52_A     R    52_A      7   22   42      6    7   12   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     E    53_A     E    53_A      7   22   42      6   10   12   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     K    54_A     K    54_A      7   22   42      6    7   12   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     I    55_A     I    55_A      7   20   42      6    7    9   12   20   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     R    56_A     R    56_A      7   15   42      6    7    8   11   18   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     L    57_A     L    57_A      7   15   42      6    7    8   17   22   27   28   31   34   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     D    58_A     D    58_A      3   10   42      0    3    3    8    8   11   14   21   32   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     Y    59_A     Y    59_A      3    4   42      0    3    3    5    5    9    9   11   12   15   17   19   24   30   35   40   49   53   56   59 
LCS_GDT     G    60_A     G    60_A      3    4   42      1    3    4    5    5    9    9   11   11   13   22   29   32   35   39   40   45   45   49   54 
LCS_GDT     R    61_A     R    61_A      3    4   42      0    3    4    5    5    9   21   28   34   35   36   38   39   40   43   49   52   57   60   62 
LCS_GDT     A    62_A     A    62_A      4    4   42      3    4   11   16   21   26   28   31   34   35   36   38   39   44   51   51   52   57   60   62 
LCS_GDT     A    63_A     A    63_A      4    4   42      7    8   12   16   18   22   26   29   34   35   36   38   39   40   43   45   52   57   60   62 
LCS_GDT     E    64_A     E    64_A      6    7   42      3    4    6    6    7   17   23   30   34   35   36   38   39   40   45   50   52   57   60   62 
LCS_GDT     I    65_A     I    65_A      6    7   42      3    5    6    6   21   27   28   30   32   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     F    66_A     F    66_A      6    7   42      4    5    6    6    7   11   18   21   25   29   33   36   38   47   51   51   52   55   59   62 
LCS_GDT     R    67_A     R    67_A      6    7   41      4    5    6    6    7    7    9   11   13   14   19   32   34   37   40   47   52   53   58   62 
LCS_GDT     D    68_A     D    68_A      6    7   41      4    5    6    6    7    7    8   10   12   14   16   17   20   22   22   24   29   32   35   41 
LCS_GDT     A    69_A     A    69_A      6    7   18      4    5    6    6    8    9    9   10   13   14   16   18   20   22   23   27   29   32   35   41 
LCS_GDT     L    70_A     L    70_A      5    7   18      3    5    5    6    8    9   10   12   13   14   16   18   20   22   23   27   29   32   35   41 
LCS_GDT     A    71_A     A    71_A      5    7   18      3    5    5    6    8    9   10   12   13   14   16   18   20   22   23   27   29   32   35   41 
LCS_GDT     R    72_A     R    72_A      5    7   18      3    5    5    6    8    9   10   11   13   14   16   18   20   22   23   27   29   32   35   41 
LCS_GDT     D    73_A     D    73_A      5    7   18      3    5    5    6    8    9    9   11   13   14   16   18   20   22   23   27   29   32   35   41 
LCS_GDT     I    74_A     I    74_A      4    7   18      3    4    4    4    7    8   10   12   13   14   16   18   20   22   24   27   44   48   49   50 
LCS_GDT     T    75_A     T    75_A      4    7   18      3    4    5    5    8    9   10   12   13   14   16   18   20   22   31   37   38   41   42   44 
LCS_GDT     T    76_A     T    76_A      3    5   25      3    3    3    4    6    9    9   10   11   14   16   18   20   22   27   37   40   41   42   44 
LCS_GDT     P    77_A     P    77_A      3    5   25      3    3    3    5    8    9    9   10   12   13   25   30   35   38   38   41   41   43   51   52 
LCS_GDT     E    78_A     E    78_A      3    5   25      1    3    5    6    8    9    9   10   11   12   14   17   22   24   27   29   30   31   34   40 
LCS_GDT     A    79_A     A    79_A      3    3   26      0    3    3    3    4    8   10   12   14   16   18   20   22   25   27   29   30   31   34   36 
LCS_GDT     F    80_A     F    80_A      3    9   29      3    4    4    4    5    9   11   14   16   18   22   23   26   27   31   36   42   47   58   61 
LCS_GDT     N    81_A     N    81_A      8    9   29      3    8    8    8    8    9   11   14   17   20   23   23   26   26   31   33   38   43   49   53 
LCS_GDT     A    82_A     A    82_A      8    9   29      7    8    8    8    8    9   10   12   14   16   18   21   24   26   31   33   40   44   49   53 
LCS_GDT     Y    83_A     Y    83_A      8    9   29      7    8    8    8    8    9   10   11   12   15   18   20   21   22   23   33   40   43   46   50 
LCS_GDT     L    84_A     L    84_A      8    9   29      7    8    8    8    8    9   12   16   18   20   23   23   26   26   30   36   38   40   45   50 
LCS_GDT     E    85_A     E    85_A      8    9   29      7    8    8    8    8    9   11   14   17   20   23   23   26   26   27   29   34   35   45   50 
LCS_GDT     A    86_A     A    86_A      8    9   29      7    8    8    8    8    9   11   11   12   15   18   23   26   26   30   33   37   40   45   50 
LCS_GDT     L    87_A     L    87_A      8    9   29      7    8    8    8    8    9   10   11   13   18   21   23   26   26   28   29   33   35   40   45 
LCS_GDT     G    88_A     G    88_A      8    9   29      7    8    8    8    8    9   12   15   18   20   23   23   26   26   27   30   31   34   36   40 
LCS_GDT     P    89_A     P    89_A      3    9   29      3    5    5    5    7    8   10   11   16   19   23   23   26   27   28   31   33   36   39   41 
LCS_GDT     D    90_A     D    90_A      3   18   29      3    5    5    5    6    8   10   15   18   20   23   23   26   27   28   30   33   35   37   41 
LCS_GDT     A    91_A     A    91_A     17   18   29      8   14   17   18   19   20   20   22   23   25   26   28   29   30   34   37   39   43   44   47 
LCS_GDT     V    92_A     V    92_A     17   18   29      8   13   17   18   19   20   20   22   23   25   26   28   30   37   38   38   42   45   49   52 
LCS_GDT     R    93_A     R    93_A     17   18   29      8   14   17   18   19   20   20   22   23   25   26   28   29   30   34   37   41   45   50   52 
LCS_GDT     T    94_A     T    94_A     17   18   29      7   14   17   18   19   20   20   22   23   25   26   28   29   30   34   37   39   43   50   52 
LCS_GDT     V    95_A     V    95_A     17   18   29      7   14   17   18   19   20   20   22   23   25   27   31   35   39   40   43   47   50   57   61 
LCS_GDT     Q    96_A     Q    96_A     17   18   29      8   14   17   18   19   20   20   22   23   26   35   36   37   40   43   44   50   57   60   62 
LCS_GDT     D    97_A     D    97_A     17   18   29      8   14   17   18   19   20   20   22   23   25   26   28   29   31   39   44   50   57   60   62 
LCS_GDT     L    98_A     L    98_A     17   18   29      8   14   17   18   19   20   20   22   23   25   26   28   29   36   43   49   52   57   60   62 
LCS_GDT     T    99_A     T    99_A     17   18   29      8   14   17   18   19   25   28   31   34   35   36   38   39   44   51   51   52   57   60   62 
LCS_GDT     R   100_A     R   100_A     17   18   29      8   14   17   18   19   20   25   29   32   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     R   101_A     R   101_A     17   18   29      8   14   17   18   19   20   20   23   25   26   29   35   44   47   51   51   52   57   60   62 
LCS_GDT     F   102_A     F   102_A     17   18   29      8   14   17   18   19   20   20   27   32   35   36   38   44   47   51   51   52   57   60   62 
LCS_GDT     V   103_A     V   103_A     17   18   29      8   14   17   18   19   20   20   23   26   29   34   37   44   47   51   51   52   57   60   62 
LCS_GDT     D   104_A     D   104_A     17   18   29      8   14   17   18   19   20   20   23   26   29   34   37   44   47   51   51   52   57   60   62 
LCS_GDT     V   105_A     V   105_A     17   18   29      8   14   17   18   19   20   20   22   23   26   30   37   38   41   45   50   52   53   56   59 
LCS_GDT     I   106_A     I   106_A     17   18   29      8   14   17   18   19   20   20   22   23   26   34   37   38   40   44   45   50   53   54   57 
LCS_GDT     R   107_A     R   107_A     17   18   29      8   14   17   18   19   20   20   22   23   26   34   37   38   40   42   42   49   50   53   57 
LCS_GDT     A   108_A     A   108_A      3   17   29      3    4    4    7   11   14   17   23   26   29   34   37   44   47   51   51   52   57   60   62 
LCS_GDT     D   109_A     D   109_A     10   11   26      6    9   10   11   12   14   17   23   26   29   34   37   44   47   51   51   52   57   60   62 
LCS_GDT     P   110_A     P   110_A     10   11   23      6    9   10   11   12   14   17   23   26   29   34   37   44   47   51   51   52   55   60   62 
LCS_GDT     E   111_A     E   111_A     10   11   23      7    9   10   11   12   14   17   23   26   29   34   37   44   47   51   51   52   55   60   62 
LCS_GDT     A   112_A     A   112_A     10   11   23      7    9   10   11   12   14   17   23   25   29   34   37   44   47   51   51   52   57   60   62 
LCS_GDT     I   113_A     I   113_A     10   11   23      7    9   10   11   12   14   17   23   26   29   34   37   44   47   51   51   52   57   60   62 
LCS_GDT     A   114_A     A   114_A     10   11   23      7    9   10   11   12   14   17   23   26   29   34   37   44   47   51   51   52   57   60   62 
LCS_GDT     K   115_A     K   115_A     10   11   23      7    9   10   11   12   14   17   23   25   29   34   37   40   47   51   51   52   57   60   62 
LCS_GDT     L   116_A     L   116_A     10   11   23      7    9   10   11   12   14   17   23   25   29   34   37   44   47   51   51   52   57   60   62 
LCS_GDT     L   117_A     L   117_A     10   11   23      7    9   10   11   12   14   17   23   26   29   34   37   44   47   51   51   52   57   60   62 
LCS_GDT     N   118_A     N   118_A     10   11   23      3    4    9   11   12   13   17   23   25   29   30   36   44   47   51   51   52   57   60   62 
LCS_GDT     I   119_A     I   119_A      3    4   23      3    3    3    3    5    7    9   11   13   14   21   24   29   33   38   49   52   57   60   62 
LCS_GDT     S   120_A     S   120_A      3    4   22      0    3    3    3    5    6    6   10   11   12   14   16   24   28   33   34   35   47   50   56 
LCS_AVERAGE  LCS_A:  11.91  (   5.70    8.57   21.46 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT      9     14     17     18     22     27     28     31     34     35     36     38     44     47     51     51     52     57     60     62 
GDT PERCENT_AT   5.73   8.92  10.83  11.46  14.01  17.20  17.83  19.75  21.66  22.29  22.93  24.20  28.03  29.94  32.48  32.48  33.12  36.31  38.22  39.49
GDT RMS_LOCAL    0.26   0.58   0.83   1.04   1.76   2.07   2.12   2.44   2.73   2.90   3.08   3.29   4.75   4.91   5.22   5.22   5.30   6.43   6.57   6.71
GDT RMS_ALL_AT  22.02  18.52  18.64  18.96  13.80  13.95  13.92  13.80  13.85  13.96  13.66  13.87  14.77  14.83  14.58  14.58  14.67  13.29  13.39  13.38

# Checking swapping
#   possible swapping detected:  D    30_A      D    30_A
#   possible swapping detected:  D    37_A      D    37_A
#   possible swapping detected:  Y    39_A      Y    39_A
#   possible swapping detected:  F    41_A      F    41_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  D    58_A      D    58_A
#   possible swapping detected:  E    64_A      E    64_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  D    73_A      D    73_A
#   possible swapping detected:  D    97_A      D    97_A
#   possible swapping detected:  D   104_A      D   104_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    H    17_A      H    17_A    15.961     0    0.065   1.590    18.268    0.000    0.286
LGA    T    18_A      T    18_A    17.895     0    0.060   1.206    21.845    0.000    0.000
LGA    R    19_A      R    19_A    22.004     0    0.017   1.140    30.742    0.000    0.000
LGA    L    20_A      L    20_A    18.813     0    0.068   0.084    20.778    0.000    0.000
LGA    V    21_A      V    21_A    12.814     0    0.041   1.046    14.802    0.000    0.000
LGA    H    22_A      H    22_A    16.014     0    0.054   0.081    17.865    0.000    0.000
LGA    R    23_A      R    23_A    21.172     0    0.090   1.546    30.094    0.000    0.000
LGA    L    24_A      L    24_A    17.820     0    0.365   0.338    20.881    0.000    0.000
LGA    A    25_A      A    25_A    13.564     0    0.643   0.587    15.307    0.000    0.000
LGA    G    26_A      G    26_A    15.400     0    0.218   0.218    15.400    0.000    0.000
LGA    I    27_A      I    27_A    12.114     0    0.023   0.141    13.555    0.000    0.060
LGA    E    28_A      E    28_A     7.842     0    0.016   1.083    10.404   10.476    5.979
LGA    P    29_A      P    29_A     4.331     0    0.609   0.578     5.710   34.881   30.476
LGA    D    30_A      D    30_A     2.746     0    0.623   1.361     7.328   66.905   42.024
LGA    P    31_A      P    31_A     2.094     0    0.025   0.136     3.014   70.952   67.483
LGA    R    32_A      R    32_A     2.616     0    0.090   1.364    10.493   64.881   33.420
LGA    F    33_A      F    33_A     2.547     0    0.053   1.260     5.354   62.976   49.091
LGA    E    34_A      E    34_A     2.652     0    0.016   0.902     5.279   62.976   50.212
LGA    I    35_A      I    35_A     2.103     0    0.124   0.200     4.493   75.119   59.286
LGA    L    36_A      L    36_A     1.858     0    0.039   1.035     2.703   75.000   72.024
LGA    D    37_A      D    37_A     1.543     0    0.241   0.820     3.135   69.286   71.250
LGA    K    38_A      K    38_A     0.972     0    0.203   0.842     3.061   85.952   79.048
LGA    Y    39_A      Y    39_A     1.477     0    0.031   1.491    11.380   83.690   40.833
LGA    I    40_A      I    40_A     1.946     0    0.029   0.652     5.398   72.976   57.738
LGA    F    41_A      F    41_A     2.330     0    0.274   1.668    11.635   68.810   32.511
LGA    R    42_A      R    42_A     1.716     0    0.127   1.077     8.035   81.548   54.026
LGA    Q    43_A      Q    43_A     1.125     0    0.026   0.489     2.498   81.548   74.921
LGA    I    44_A      I    44_A     1.470     0    0.092   0.968     4.058   85.952   71.071
LGA    V    45_A      V    45_A     0.356     0    0.069   0.202     1.430   90.595   87.959
LGA    A    46_A      A    46_A     1.386     0    0.076   0.090     2.011   77.381   76.476
LGA    D    47_A      D    47_A     1.955     0    0.105   0.677     2.492   70.833   72.976
LGA    N    48_A      N    48_A     1.374     0    0.327   0.303     3.092   81.548   70.417
LGA    P    49_A      P    49_A     1.503     0    0.071   0.080     2.865   73.214   68.571
LGA    E    50_A      E    50_A     4.158     0    0.172   0.915     4.964   38.929   40.106
LGA    E    51_A      E    51_A     4.186     0    0.262   1.075     5.536   46.905   36.614
LGA    R    52_A      R    52_A     1.354     0    0.029   1.067     3.351   79.881   74.199
LGA    E    53_A      E    53_A     1.802     0    0.016   0.928     8.605   77.143   44.709
LGA    K    54_A      K    54_A     1.727     0    0.027   1.136     4.297   70.833   64.497
LGA    I    55_A      I    55_A     3.385     0    0.019   0.697     6.164   50.476   39.226
LGA    R    56_A      R    56_A     3.473     0    0.081   1.573     8.608   44.167   33.290
LGA    L    57_A      L    57_A     3.043     0    0.594   0.966     3.720   51.786   54.643
LGA    D    58_A      D    58_A     6.405     0    0.331   1.126    10.958   18.452    9.643
LGA    Y    59_A      Y    59_A    10.475     0    0.460   1.074    14.617    0.714    0.238
LGA    G    60_A      G    60_A     9.863     0    0.115   0.115     9.863    4.524    4.524
LGA    R    61_A      R    61_A     5.353     0    0.581   1.508     7.057   24.881   27.489
LGA    A    62_A      A    62_A     3.204     0    0.622   0.614     4.012   43.452   43.429
LGA    A    63_A      A    63_A     5.884     0    0.080   0.087     7.714   27.619   23.524
LGA    E    64_A      E    64_A     4.847     0    0.622   1.113    11.758   29.286   14.444
LGA    I    65_A      I    65_A     4.898     0    0.034   0.086     8.886   24.405   19.405
LGA    F    66_A      F    66_A     8.965     0    0.228   1.162    12.926    4.167    1.861
LGA    R    67_A      R    67_A    10.500     0    0.035   1.410    18.064    0.714    0.303
LGA    D    68_A      D    68_A    14.511     0    0.083   0.268    17.943    0.000    0.000
LGA    A    69_A      A    69_A    16.201     0    0.539   0.523    18.060    0.000    0.000
LGA    L    70_A      L    70_A    19.101     0    0.124   1.392    21.840    0.000    0.000
LGA    A    71_A      A    71_A    21.107     0    0.118   0.116    22.651    0.000    0.000
LGA    R    72_A      R    72_A    20.458     0    0.160   1.272    21.822    0.000    0.000
LGA    D    73_A      D    73_A    20.998     0    0.476   0.892    24.995    0.000    0.000
LGA    I    74_A      I    74_A    23.106     0    0.618   1.255    24.009    0.000    0.000
LGA    T    75_A      T    75_A    24.624     0    0.678   0.621    24.918    0.000    0.000
LGA    T    76_A      T    76_A    24.734     0    0.063   1.182    27.555    0.000    0.000
LGA    P    77_A      P    77_A    20.473     0    0.547   0.894    22.254    0.000    0.000
LGA    E    78_A      E    78_A    21.548     0    0.630   1.545    28.070    0.000    0.000
LGA    A    79_A      A    79_A    18.293     0    0.663   0.639    19.468    0.000    0.000
LGA    F    80_A      F    80_A    13.971     0    0.579   1.366    14.879    0.000    3.506
LGA    N    81_A      N    81_A    15.840     0    0.597   0.889    17.536    0.000    0.000
LGA    A    82_A      A    82_A    16.312     0    0.053   0.049    17.523    0.000    0.000
LGA    Y    83_A      Y    83_A    16.380     0    0.078   1.475    19.090    0.000    0.000
LGA    L    84_A      L    84_A    18.798     0    0.036   1.330    21.684    0.000    0.000
LGA    E    85_A      E    85_A    21.894     0    0.142   1.106    24.053    0.000    0.000
LGA    A    86_A      A    86_A    22.017     0    0.071   0.069    24.645    0.000    0.000
LGA    L    87_A      L    87_A    24.433     0    0.023   1.040    28.223    0.000    0.000
LGA    G    88_A      G    88_A    28.522     0    0.615   0.615    28.522    0.000    0.000
LGA    P    89_A      P    89_A    27.861     0    0.196   0.204    29.007    0.000    0.000
LGA    D    90_A      D    90_A    27.597     0    0.240   0.258    34.682    0.000    0.000
LGA    A    91_A      A    91_A    21.685     0    0.485   0.459    23.853    0.000    0.000
LGA    V    92_A      V    92_A    17.199     0    0.072   1.002    19.252    0.000    0.000
LGA    R    93_A      R    93_A    15.967     0    0.047   1.710    26.285    0.000    0.000
LGA    T    94_A      T    94_A    15.821     0    0.052   0.130    19.569    0.000    0.000
LGA    V    95_A      V    95_A    10.911     0    0.029   0.099    13.171    2.857    1.633
LGA    Q    96_A      Q    96_A     7.753     0    0.026   1.048    11.309    8.214    4.709
LGA    D    97_A      D    97_A    10.300     0    0.044   1.054    14.139    0.357    0.179
LGA    L    98_A      L    98_A     8.682     0    0.031   1.003    12.350    9.643    5.357
LGA    T    99_A      T    99_A     2.903     0    0.033   0.213     5.004   40.952   50.476
LGA    R   100_A      R   100_A     6.279     0    0.013   1.869    15.169   14.286    6.147
LGA    R   101_A      R   101_A    10.028     0    0.071   1.341    15.237    1.071    0.390
LGA    F   102_A      F   102_A     6.731     0    0.082   0.394     8.915    8.333   22.251
LGA    V   103_A      V   103_A     8.850     0    0.045   0.752    12.147    2.500    2.381
LGA    D   104_A      D   104_A    13.021     0    0.050   1.397    15.824    0.000    0.000
LGA    V   105_A      V   105_A    14.675     0    0.037   0.795    17.112    0.000    0.000
LGA    I   106_A      I   106_A    15.004     0    0.160   1.180    17.476    0.000    0.000
LGA    R   107_A      R   107_A    17.598     0    0.338   1.377    24.465    0.000    0.000
LGA    A   108_A      A   108_A    13.631     0    0.663   0.635    16.417    0.000    0.000
LGA    D   109_A      D   109_A    15.834     0    0.404   1.046    20.410    0.000    0.000
LGA    P   110_A      P   110_A    16.025     0    0.012   0.066    17.707    0.000    0.000
LGA    E   111_A      E   111_A    17.256     0    0.069   0.595    19.570    0.000    0.000
LGA    A   112_A      A   112_A    15.662     0    0.018   0.020    16.263    0.000    0.000
LGA    I   113_A      I   113_A    13.415     0    0.027   0.162    14.261    0.000    0.000
LGA    A   114_A      A   114_A    14.829     0    0.017   0.020    15.743    0.000    0.000
LGA    K   115_A      K   115_A    15.846     0    0.023   0.667    18.365    0.000    0.000
LGA    L   116_A      L   116_A    13.221     0    0.026   1.347    14.349    0.000    0.000
LGA    L   117_A      L   117_A    12.378     0    0.053   0.079    12.796    0.000    0.000
LGA    N   118_A      N   118_A    13.598     0    0.265   0.863    20.208    0.000    0.000
LGA    I   119_A      I   119_A    12.299     0    0.655   1.385    14.211    0.119    0.060
LGA    S   120_A      S   120_A    10.649     0    0.066   0.625    12.447    5.476    3.651

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      104     416    416  100.00     846    846  100.00               157
SUMMARY(RMSD_GDC):    12.441         12.426                 12.933           14.520   12.108

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  104  157    4.0     31    2.44    18.153    16.123     1.221

LGA_LOCAL      RMSD:   2.439  Number of atoms:   31  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  13.799  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:  12.441  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.473683 * X  +  -0.708967 * Y  +   0.522485 * Z  +  -3.858741
  Y_new =  -0.802176 * X  +  -0.102452 * Y  +   0.588232 * Z  +  14.412034
  Z_new =  -0.363507 * X  +  -0.697760 * Y  +  -0.617246 * Z  + -16.048899 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.037393  0.372030 -2.295044   [DEG:  -59.4383   21.3157 -131.4963 ]
ZXZ:  2.415319  2.236034 -2.661316   [DEG:  138.3876  128.1153 -152.4822 ]
 
# END of job
