
#######################################################
#                                                     #
#                        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  108 (  871),  selected  101 , name one
# Molecule2: number of CA atoms  151 ( 1194),  selected  101 , 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:    37      50_A - 86_A        4.90    30.13
  LCS_AVERAGE:     20.20

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    24      51_A - 74_A        1.96    32.15
  LCS_AVERAGE:     10.87

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    19      33_A - 51_A        0.70    34.12
  LCS_AVERAGE:      8.08

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  101
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     Q    11_A     Q    11_A      3   11   16      3    3    3    5    9   10   11   11   12   13   14   15   16   19   19   20   23   26   26   26 
LCS_GDT     A    12_A     A    12_A      4   11   16      3    4    4    8    9   10   11   11   12   13   14   15   17   19   20   23   23   26   26   26 
LCS_GDT     V    13_A     V    13_A      8   11   16      3    8    8    8    9   10   11   11   12   13   14   15   17   19   20   23   23   26   26   26 
LCS_GDT     E    14_A     E    14_A      8   11   16      7    8    8    8    9   10   11   11   12   13   14   15   17   19   20   23   23   26   26   26 
LCS_GDT     D    15_A     D    15_A      8   11   16      7    8    8    8    9   10   11   11   12   13   14   15   17   19   20   23   23   26   26   26 
LCS_GDT     F    16_A     F    16_A      8   11   16      7    8    8    8    9   10   11   11   12   13   14   15   17   19   20   23   23   26   26   26 
LCS_GDT     L    17_A     L    17_A      8   11   16      7    8    8    8    9   10   11   11   12   13   14   15   17   19   20   23   23   26   26   26 
LCS_GDT     R    18_A     R    18_A      8   11   16      7    8    8    8    9   10   11   11   12   13   14   15   17   19   20   23   23   26   26   26 
LCS_GDT     V    19_A     V    19_A      8   11   16      7    8    8    8    9   10   11   11   12   13   14   15   17   19   20   23   23   26   26   26 
LCS_GDT     H    20_A     H    20_A      8   11   16      7    8    8    8    9   10   11   11   12   13   14   15   16   19   20   23   23   26   26   26 
LCS_GDT     S    21_A     S    21_A      5   11   16      3    5    5    8    9    9   11   11   12   12   13   15   15   15   16   19   21   21   22   24 
LCS_GDT     E    22_A     E    22_A      6    9   16      3    6    7    8    8    9   10   11   12   13   14   15   16   16   18   20   21   26   26   31 
LCS_GDT     L    23_A     L    23_A      6    9   16      5    6    7    8    8    9   10   11   12   13   14   16   20   24   28   28   29   31   32   32 
LCS_GDT     V    24_A     V    24_A      6    9   16      5    6    7    8    8    9   10   10   11   13   14   15   17   19   22   25   28   30   32   32 
LCS_GDT     H    25_A     H    25_A      6    9   30      5    6    7    8    8    9   10   11   12   13   14   15   19   26   28   30   30   31   32   32 
LCS_GDT     R    26_A     R    26_A      6    9   30      5    6    7    8    8    9   10   12   16   21   24   27   28   29   29   30   30   31   32   32 
LCS_GDT     L    27_A     L    27_A      6    9   30      5    6    7    8    8    9   10   10   13   17   20   26   28   28   29   30   30   31   32   32 
LCS_GDT     A    28_A     A    28_A      4    9   30      4    4    4    8    8    9   10   12   16   21   24   27   28   29   29   30   30   31   32   32 
LCS_GDT     G    29_A     G    29_A      4    9   30      4    4    4    8    8    9   10   13   15   21   24   27   28   29   29   30   30   31   32   32 
LCS_GDT     D    30_A     D    30_A      4    6   30      3    4    4    5    8    9   12   20   22   23   26   27   28   29   29   30   30   31   32   32 
LCS_GDT     P    31_A     P    31_A      4    6   30      3    4    4    5    8    9   12   20   22   24   26   27   28   29   29   30   30   31   32   32 
LCS_GDT     P    32_A     P    32_A      4   21   30      3    4    4    6   11   16   19   23   24   24   26   27   28   29   29   30   30   31   32   32 
LCS_GDT     D    33_A     D    33_A     19   22   30     13   18   18   19   20   20   21   23   24   24   26   27   28   29   29   30   30   31   32   32 
LCS_GDT     E    34_A     E    34_A     19   22   30     13   18   18   19   20   20   21   23   24   24   26   27   28   29   29   30   30   31   32   32 
LCS_GDT     L    35_A     L    35_A     19   22   30     13   18   18   19   20   20   21   23   24   24   25   27   28   29   29   30   30   31   32   32 
LCS_GDT     F    36_A     F    36_A     19   22   30     13   18   18   19   20   20   21   23   24   24   26   27   28   29   29   30   30   31   32   32 
LCS_GDT     Q    37_A     Q    37_A     19   22   30     13   18   18   19   20   20   21   23   24   24   26   27   28   29   29   30   30   31   32   32 
LCS_GDT     R    38_A     R    38_A     19   22   30     13   18   18   19   20   20   21   23   24   24   26   27   28   29   29   30   30   31   32   32 
LCS_GDT     L    39_A     L    39_A     19   22   30     13   18   18   19   20   20   21   23   24   24   26   27   28   29   29   30   30   31   32   32 
LCS_GDT     D    40_A     D    40_A     19   22   30     13   18   18   19   20   20   21   23   24   24   26   27   28   29   29   30   30   31   32   32 
LCS_GDT     R    41_A     R    41_A     19   22   30     13   18   18   19   20   20   21   23   24   24   26   27   28   29   29   30   30   31   32   32 
LCS_GDT     F    42_A     F    42_A     19   22   30     13   18   18   19   20   20   21   23   24   24   26   27   28   29   29   30   30   31   32   32 
LCS_GDT     V    43_A     V    43_A     19   22   30     13   18   18   19   20   20   21   23   24   24   26   27   28   29   29   30   30   31   32   32 
LCS_GDT     T    44_A     T    44_A     19   22   30     13   18   18   19   20   20   21   23   24   24   26   27   28   29   29   30   30   31   32   32 
LCS_GDT     D    45_A     D    45_A     19   22   30     12   18   18   19   20   20   21   23   24   24   26   27   28   29   29   30   30   31   32   32 
LCS_GDT     A    46_A     A    46_A     19   22   31     10   18   18   19   20   20   21   23   24   24   26   27   28   29   29   31   32   35   41   48 
LCS_GDT     I    47_A     I    47_A     19   22   31     10   18   18   19   20   20   21   23   24   24   26   27   28   29   29   31   32   35   37   42 
LCS_GDT     I    48_A     I    48_A     19   22   31     11   18   18   19   20   20   21   23   24   24   26   27   28   29   29   31   33   35   40   48 
LCS_GDT     E    49_A     E    49_A     19   22   36     10   18   18   19   20   20   21   23   24   24   26   27   29   31   38   42   47   49   51   52 
LCS_GDT     G    50_A     G    50_A     19   22   37     13   18   18   19   20   20   21   23   24   27   29   31   32   37   40   42   47   49   51   52 
LCS_GDT     N    51_A     N    51_A     19   24   37      4    5   14   19   20   22   24   25   26   28   31   31   32   36   40   42   46   49   51   52 
LCS_GDT     P    52_A     P    52_A     13   24   37      4    5   11   16   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     E    53_A     E    53_A      5   24   37      4    5    5    7   18   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     R    54_A     R    54_A     18   24   37      8   16   17   18   20   22   24   25   27   28   31   35   37   39   42   44   47   49   51   52 
LCS_GDT     R    55_A     R    55_A     18   24   37      9   16   17   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     D    56_A     D    56_A     18   24   37      8   16   17   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     E    57_A     E    57_A     18   24   37      8   16   17   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     I    58_A     I    58_A     18   24   37      8   16   17   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     K    59_A     K    59_A     18   24   37      8   16   17   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     A    60_A     A    60_A     18   24   37      8   16   17   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     D    61_A     D    61_A     18   24   37      9   16   17   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     L    62_A     L    62_A     18   24   37      8   16   17   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     A    63_A     A    63_A     18   24   37      9   16   17   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     R    64_A     R    64_A     18   24   37      9   16   17   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     A    65_A     A    65_A     18   24   37      9   16   17   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     A    66_A     A    66_A     18   24   37      9   16   17   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     R    67_A     R    67_A     18   24   37      9   16   17   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     V    68_A     V    68_A     18   24   37      9   16   17   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     F    69_A     F    69_A     18   24   37      9   16   17   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     G    70_A     G    70_A     18   24   37      7   16   17   18   20   22   24   25   27   30   32   35   37   39   42   44   46   49   51   52 
LCS_GDT     E    71_A     E    71_A     18   24   37      4   12   17   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     A    72_A     A    72_A      5   24   37      4    5    8   16   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     L    73_A     L    73_A      5   24   37      4    5    8   11   18   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     E    74_A     E    74_A      5   24   37      4    5   15   18   20   22   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     R    75_A     R    75_A      5   23   37      4    4    8   18   20   22   24   25   27   30   32   35   37   39   42   44   46   49   51   52 
LCS_GDT     D    76_A     D    76_A      5    8   37      4    4    6    8   11   16   24   25   26   30   32   35   37   39   42   44   46   48   50   52 
LCS_GDT     I    77_A     I    77_A      4    8   37      4    4    4    7   10   16   24   25   26   30   32   35   37   39   42   44   46   48   50   52 
LCS_GDT     T    78_A     T    78_A      4    7   37      3    3    4    6    8   10   14   18   23   28   29   31   32   34   35   37   39   45   45   47 
LCS_GDT     T    79_A     T    79_A      4    4   37      3    3    4    5    6    9   13   16   21   25   28   30   32   33   35   37   38   40   42   47 
LCS_GDT     P    80_A     P    80_A      4    4   37      3    3    4    5    6    9   13   16   22   28   29   31   32   34   35   38   42   47   47   50 
LCS_GDT     E    81_A     E    81_A      3    4   37      3    3    3    5    8   11   16   24   26   30   32   35   37   39   42   44   46   48   51   52 
LCS_GDT     D    82_A     D    82_A      6    7   37      5    6    8   11   13   16   24   25   27   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     F    83_A     F    83_A      6    7   37      5    6    7    7    8   10   18   23   27   28   31   34   36   39   42   44   47   49   51   52 
LCS_GDT     N    84_A     N    84_A      6    7   37      5    6    7    7    8    9   13   18   22   28   31   34   36   39   42   44   47   49   51   52 
LCS_GDT     A    85_A     A    85_A      6    7   37      5    6    7   11   12   16   24   24   27   28   31   34   36   39   42   44   47   49   51   52 
LCS_GDT     F    86_A     F    86_A      6    7   37      5    6    7    7    7   14   16   18   25   26   31   34   36   38   42   43   47   49   51   52 
LCS_GDT     L    87_A     L    87_A      6    7   36      4    9   14   16   18   19   20   20   22   25   29   34   36   37   39   42   47   49   51   52 
LCS_GDT     R    88_A     R    88_A      4    7   29      4    4    4   17   18   19   20   20   21   22   28   34   36   37   38   40   42   45   49   50 
LCS_GDT     E    89_A     E    89_A      4    5   29      4    4    4    5   12   15   19   20   21   21   23   25   28   29   31   34   35   36   41   43 
LCS_GDT     L    90_A     L    90_A      4    6   29      4    4    4    9   12   16   17   18   19   21   23   25   28   29   31   32   35   36   36   36 
LCS_GDT     G    91_A     G    91_A      4    6   29      4    4    4    6    8   10   14   16   19   21   23   25   28   29   31   32   35   36   36   36 
LCS_GDT     P    92_A     P    92_A      4    6   29      3    4    7    7    8   10   13   16   19   21   23   25   28   29   31   32   35   36   38   40 
LCS_GDT     E    93_A     E    93_A      4    6   29      3    4    4    6    8   10   13   16   19   21   23   25   28   29   31   32   35   36   38   40 
LCS_GDT     A    94_A     A    94_A      4   18   29      3    4    4    6    8   10   13   17   19   21   23   25   28   29   31   32   35   36   37   39 
LCS_GDT     V    95_A     V    95_A     17   18   29     11   15   16   17   18   19   20   20   21   24   29   34   36   37   39   42   47   49   51   52 
LCS_GDT     E    96_A     E    96_A     17   18   29     11   15   16   17   18   19   20   20   21   24   29   33   36   37   40   43   47   49   51   52 
LCS_GDT     L    97_A     L    97_A     17   18   29     11   15   16   17   18   19   20   20   21   24   29   34   36   37   39   42   47   49   51   52 
LCS_GDT     V    98_A     V    98_A     17   18   29     11   15   16   17   18   19   20   20   21   24   29   29   34   37   40   42   47   49   51   52 
LCS_GDT     S    99_A     S    99_A     17   18   29     11   15   16   17   18   19   20   20   22   25   31   33   36   38   42   44   47   49   51   52 
LCS_GDT     T   100_A     T   100_A     17   18   29     11   15   16   17   18   19   20   20   22   27   31   34   36   39   42   44   47   49   51   52 
LCS_GDT     F   101_A     F   101_A     17   18   29     11   15   16   17   18   19   20   20   22   25   31   33   36   39   42   44   47   49   51   52 
LCS_GDT     T   102_A     T   102_A     17   18   29     11   15   16   17   18   19   20   20   22   25   31   34   36   39   42   44   47   49   51   52 
LCS_GDT     Q   103_A     Q   103_A     17   18   29     11   15   16   17   18   19   20   20   22   26   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     Q   104_A     Q   104_A     17   18   29     11   15   16   17   18   19   20   20   26   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     F   105_A     F   105_A     17   18   29     11   15   16   17   18   19   20   20   22   25   31   35   37   39   42   44   47   49   51   52 
LCS_GDT     V   106_A     V   106_A     17   18   29     10   15   16   17   18   19   20   20   22   26   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     D   107_A     D   107_A     17   18   29     10   15   16   17   18   19   20   20   23   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     V   108_A     V   108_A     17   18   29      7   15   16   17   18   19   20   20   23   30   32   35   37   39   42   44   47   49   51   52 
LCS_GDT     I   109_A     I   109_A     17   18   28     10   15   16   17   18   19   20   20   22   25   31   35   37   39   42   44   47   49   51   52 
LCS_GDT     R   110_A     R   110_A     17   18   28      7   15   16   17   18   19   20   20   22   26   31   35   37   39   42   44   47   49   51   52 
LCS_GDT     G   111_A     G   111_A     17   18   28      4    8   16   17   18   19   20   20   22   25   31   35   37   39   42   44   47   49   51   52 
LCS_AVERAGE  LCS_A:  13.05  (   8.08   10.87   20.20 )

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     13     18     18     19     20     22     24     25     27     30     32     35     37     39     42     44     47     49     51     52 
GDT PERCENT_AT   8.61  11.92  11.92  12.58  13.25  14.57  15.89  16.56  17.88  19.87  21.19  23.18  24.50  25.83  27.81  29.14  31.13  32.45  33.77  34.44
GDT RMS_LOCAL    0.35   0.47   0.47   0.70   1.00   1.57   1.96   2.11   2.88   3.75   3.93   4.23   4.37   4.62   5.04   5.18   5.79   5.90   6.08   6.12
GDT RMS_ALL_AT  34.42  33.91  33.91  34.12  34.08  32.96  32.15  32.07  29.56  29.58  29.50  29.58  29.46  29.22  28.35  28.68  27.33  27.64  27.64  28.11

# Checking swapping
#   possible swapping detected:  E    14_A      E    14_A
#   possible swapping detected:  D    15_A      D    15_A
#   possible swapping detected:  D    30_A      D    30_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  F    36_A      F    36_A
#   possible swapping detected:  D    40_A      D    40_A
#   possible swapping detected:  D    45_A      D    45_A
#   possible swapping detected:  E    49_A      E    49_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  E    74_A      E    74_A
#   possible swapping detected:  D    76_A      D    76_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  F    86_A      F    86_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  E    96_A      E    96_A
#   possible swapping detected:  F   101_A      F   101_A
#   possible swapping detected:  F   105_A      F   105_A
#   possible swapping detected:  D   107_A      D   107_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    11_A      Q    11_A    51.689     0    0.440   0.489    55.079    0.000    0.000
LGA    A    12_A      A    12_A    56.361     0    0.372   0.361    58.026    0.000    0.000
LGA    V    13_A      V    13_A    51.388     0    0.287   1.295    52.637    0.000    0.000
LGA    E    14_A      E    14_A    52.891     0    0.217   1.101    56.478    0.000    0.000
LGA    D    15_A      D    15_A    59.247     0    0.024   1.082    62.318    0.000    0.000
LGA    F    16_A      F    16_A    56.638     0    0.003   1.454    57.523    0.000    0.000
LGA    L    17_A      L    17_A    54.447     0    0.058   0.083    57.513    0.000    0.000
LGA    R    18_A      R    18_A    60.521     0    0.118   1.405    65.383    0.000    0.000
LGA    V    19_A      V    19_A    64.697     0    0.107   0.188    66.882    0.000    0.000
LGA    H    20_A      H    20_A    60.683     0    0.546   0.819    61.746    0.000    0.000
LGA    S    21_A      S    21_A    64.226     0    0.030   0.622    65.787    0.000    0.000
LGA    E    22_A      E    22_A    65.452     0    0.170   0.752    70.271    0.000    0.000
LGA    L    23_A      L    23_A    61.408     0    0.151   1.385    62.682    0.000    0.000
LGA    V    24_A      V    24_A    60.606     0    0.039   0.936    61.101    0.000    0.000
LGA    H    25_A      H    25_A    62.331     0    0.132   1.372    70.331    0.000    0.000
LGA    R    26_A      R    26_A    61.602     0    0.228   0.730    66.704    0.000    0.000
LGA    L    27_A      L    27_A    58.941     0    0.028   1.386    61.864    0.000    0.000
LGA    A    28_A      A    28_A    56.216     0    0.098   0.096    57.337    0.000    0.000
LGA    G    29_A      G    29_A    57.273     0    0.180   0.180    57.273    0.000    0.000
LGA    D    30_A      D    30_A    54.590     0    0.113   0.738    56.298    0.000    0.000
LGA    P    31_A      P    31_A    54.077     0    0.122   0.192    55.207    0.000    0.000
LGA    P    32_A      P    32_A    48.508     0    0.599   0.660    52.841    0.000    0.000
LGA    D    33_A      D    33_A    45.552     0    0.598   1.358    46.758    0.000    0.000
LGA    E    34_A      E    34_A    44.812     0    0.058   1.032    46.607    0.000    0.000
LGA    L    35_A      L    35_A    39.447     0    0.049   0.232    41.769    0.000    0.000
LGA    F    36_A      F    36_A    36.035     0    0.064   0.203    37.729    0.000    0.000
LGA    Q    37_A      Q    37_A    37.635     0    0.014   0.279    46.007    0.000    0.000
LGA    R    38_A      R    38_A    35.566     0    0.023   1.215    40.160    0.000    0.000
LGA    L    39_A      L    39_A    29.707     0    0.089   1.419    32.203    0.000    0.000
LGA    D    40_A      D    40_A    28.775     0    0.048   1.229    30.853    0.000    0.000
LGA    R    41_A      R    41_A    29.603     0    0.068   1.189    40.240    0.000    0.000
LGA    F    42_A      F    42_A    26.022     0    0.033   0.147    27.626    0.000    0.000
LGA    V    43_A      V    43_A    21.090     0    0.042   0.083    23.263    0.000    0.000
LGA    T    44_A      T    44_A    21.305     0    0.098   1.076    24.513    0.000    0.000
LGA    D    45_A      D    45_A    20.503     0    0.064   1.108    26.036    0.000    0.000
LGA    A    46_A      A    46_A    16.686     0    0.039   0.044    18.433    0.000    0.000
LGA    I    47_A      I    47_A    12.623     0    0.104   0.194    15.445    0.000    0.000
LGA    I    48_A      I    48_A    12.872     0    0.071   0.082    19.052    0.119    0.060
LGA    E    49_A      E    49_A    12.133     0    0.151   0.859    18.991    0.000    0.000
LGA    G    50_A      G    50_A     8.646     0    0.056   0.056    10.002   10.357   10.357
LGA    N    51_A      N    51_A     3.405     0    0.608   0.682     8.598   49.524   33.810
LGA    P    52_A      P    52_A     3.473     0    0.153   0.461     5.245   53.571   42.585
LGA    E    53_A      E    53_A     3.414     0    0.182   0.632     5.474   48.571   40.370
LGA    R    54_A      R    54_A     2.591     0    0.389   1.194    10.989   64.881   30.606
LGA    R    55_A      R    55_A     0.892     0    0.066   0.380     2.668   86.071   81.126
LGA    D    56_A      D    56_A     1.230     0    0.107   0.643     3.721   83.690   67.024
LGA    E    57_A      E    57_A     1.965     0    0.053   0.868     3.824   72.857   64.339
LGA    I    58_A      I    58_A     1.742     0    0.012   0.704     4.400   77.143   66.548
LGA    K    59_A      K    59_A     0.703     0    0.075   0.669     2.707   92.857   79.153
LGA    A    60_A      A    60_A     0.935     0    0.140   0.161     1.962   92.857   88.857
LGA    D    61_A      D    61_A     1.122     0    0.056   0.264     2.283   83.690   79.405
LGA    L    62_A      L    62_A     0.953     0    0.037   1.050     3.239   90.476   83.155
LGA    A    63_A      A    63_A     0.488     0    0.031   0.034     0.644   92.857   94.286
LGA    R    64_A      R    64_A     0.676     0    0.066   1.475     4.316   90.476   74.156
LGA    A    65_A      A    65_A     0.653     0    0.028   0.036     0.699   90.476   90.476
LGA    A    66_A      A    66_A     0.619     0    0.099   0.102     0.968   90.476   90.476
LGA    R    67_A      R    67_A     0.675     0    0.037   1.269     5.441   90.476   67.662
LGA    V    68_A      V    68_A     0.824     0    0.063   0.095     1.024   88.214   89.184
LGA    F    69_A      F    69_A     0.318     0    0.228   1.331     7.249   97.619   63.550
LGA    G    70_A      G    70_A     0.755     0    0.594   0.594     2.781   82.143   82.143
LGA    E    71_A      E    71_A     1.989     0    0.194   0.292     8.136   65.119   40.370
LGA    A    72_A      A    72_A     3.352     0    0.041   0.044     4.676   50.476   46.667
LGA    L    73_A      L    73_A     4.064     0    0.269   0.417     8.854   45.119   27.857
LGA    E    74_A      E    74_A     2.351     0    0.062   0.794     8.801   68.929   40.794
LGA    R    75_A      R    75_A     4.050     0    0.101   1.727     5.005   42.619   45.931
LGA    D    76_A      D    76_A     7.748     0    0.263   0.686    11.124    5.952    3.155
LGA    I    77_A      I    77_A    11.084     0    0.603   0.532    14.856    0.119    0.417
LGA    T    78_A      T    78_A    18.132     0    0.025   0.063    21.810    0.000    0.000
LGA    T    79_A      T    79_A    20.314     0    0.708   0.639    22.969    0.000    0.000
LGA    P    80_A      P    80_A    17.904     0    0.621   0.911    19.887    0.000    0.000
LGA    E    81_A      E    81_A    18.065     0    0.610   1.094    21.991    0.000    0.000
LGA    D    82_A      D    82_A    14.919     0    0.606   1.211    18.704    0.000    0.000
LGA    F    83_A      F    83_A    12.984     0    0.097   1.443    16.131    0.000    0.000
LGA    N    84_A      N    84_A    15.600     0    0.155   0.204    20.809    0.000    0.000
LGA    A    85_A      A    85_A    13.877     0    0.025   0.027    14.918    0.000    0.000
LGA    F    86_A      F    86_A     9.438     0    0.068   0.291    11.021    2.262    6.320
LGA    L    87_A      L    87_A     9.127     0    0.589   1.429    12.147    2.143    1.429
LGA    R    88_A      R    88_A     9.427     0    0.592   1.178    19.177    1.905    0.693
LGA    E    89_A      E    89_A     9.764     0    0.067   1.073    12.917    0.476    0.899
LGA    L    90_A      L    90_A    15.697     0    0.065   1.351    20.633    0.000    0.000
LGA    G    91_A      G    91_A    14.163     0    0.332   0.332    14.403    0.000    0.000
LGA    P    92_A      P    92_A    12.851     0    0.687   0.684    15.924    0.000    0.000
LGA    E    93_A      E    93_A    13.768     0    0.099   0.760    15.893    0.000    0.000
LGA    A    94_A      A    94_A    16.736     0    0.431   0.406    17.741    0.000    0.000
LGA    V    95_A      V    95_A    14.170     0    0.562   1.365    15.952    0.000    0.000
LGA    E    96_A      E    96_A    14.320     0    0.044   1.144    20.043    0.000    0.000
LGA    L    97_A      L    97_A    11.724     0    0.036   0.229    14.058    0.000    0.238
LGA    V    98_A      V    98_A    16.384     0    0.012   0.047    19.447    0.000    0.000
LGA    S    99_A      S    99_A    19.796     0    0.085   0.088    21.202    0.000    0.000
LGA    T   100_A      T   100_A    17.595     0    0.031   0.071    19.199    0.000    0.000
LGA    F   101_A      F   101_A    18.454     0    0.023   0.144    22.714    0.000    0.000
LGA    T   102_A      T   102_A    24.297     0    0.074   0.840    26.882    0.000    0.000
LGA    Q   103_A      Q   103_A    25.404     0    0.048   1.428    31.375    0.000    0.000
LGA    Q   104_A      Q   104_A    22.294     0    0.077   0.113    24.675    0.000    0.000
LGA    F   105_A      F   105_A    26.637     0    0.030   1.267    33.518    0.000    0.000
LGA    V   106_A      V   106_A    31.727     0    0.014   0.037    34.689    0.000    0.000
LGA    D   107_A      D   107_A    29.754     0    0.060   1.079    30.636    0.000    0.000
LGA    V   108_A      V   108_A    28.352     0    0.020   0.115    31.366    0.000    0.000
LGA    I   109_A      I   109_A    34.404     0    0.132   0.651    37.761    0.000    0.000
LGA    R   110_A      R   110_A    36.913     0    0.062   1.474    40.756    0.000    0.000
LGA    G   111_A      G   111_A    33.791     0    0.690   0.690    35.680    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      101     404    404  100.00     813    813  100.00               151
SUMMARY(RMSD_GDC):    21.530         21.450                 21.850           12.679   10.822

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  108  151    4.0     25    2.11    17.550    15.754     1.129

LGA_LOCAL      RMSD:   2.114  Number of atoms:   25  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  32.067  Number of assigned atoms:  101 
Std_ASGN_ATOMS RMSD:  21.530  Standard rmsd on all 101 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.574170 * X  +   0.457887 * Y  +  -0.678725 * Z  +  41.259407
  Y_new =   0.735252 * X  +   0.653065 * Y  +  -0.181414 * Z  + -119.714745
  Z_new =   0.360184 * X  +  -0.603197 * Y  +  -0.711633 * Z  + -21.843674 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.233792 -0.368465 -2.438480   [DEG:  127.9869  -21.1115 -139.7146 ]
ZXZ: -1.309615  2.362616  2.603289   [DEG:  -75.0354  135.3679  149.1575 ]
 
# END of job
