
#######################################################
#                                                     #
#                        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  110 (  887),  selected  104 , name one
# Molecule2: number of CA atoms  151 ( 1194),  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:    33      46_A - 78_A        4.89    31.46
  LONGEST_CONTINUOUS_SEGMENT:    33      47_A - 79_A        4.97    32.05
  LCS_AVERAGE:     19.61

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    25      87_A - 111_A       1.92    49.29
  LCS_AVERAGE:     12.20

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    21      91_A - 111_A       0.95    49.38
  LCS_AVERAGE:      8.29

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     Q    11_A     Q    11_A      3   11   17      3    3    3    5    9   10   11   11   12   13   15   15   16   19   19   20   21   24   25   26 
LCS_GDT     A    12_A     A    12_A      4   11   17      3    4    4    9    9   10   11   11   12   13   15   15   17   19   20   21   23   24   25   26 
LCS_GDT     V    13_A     V    13_A      9   11   17      4    8    8    9    9   10   11   11   12   13   15   15   17   19   20   21   23   24   25   26 
LCS_GDT     E    14_A     E    14_A      9   11   17      7    8    8    9    9   10   11   11   12   13   15   15   17   19   20   21   23   24   25   26 
LCS_GDT     D    15_A     D    15_A      9   11   17      7    8    8    9    9   10   11   11   12   13   15   15   17   19   20   21   23   24   25   26 
LCS_GDT     F    16_A     F    16_A      9   11   17      7    8    8    9    9   10   11   11   12   13   15   15   17   19   20   21   23   24   25   26 
LCS_GDT     L    17_A     L    17_A      9   11   17      7    8    8    9    9   10   11   11   12   13   15   15   17   19   20   21   23   24   25   26 
LCS_GDT     R    18_A     R    18_A      9   11   17      7    8    8    9    9   10   11   11   12   13   15   15   17   19   20   21   23   24   25   26 
LCS_GDT     V    19_A     V    19_A      9   11   17      7    8    8    9    9   10   11   11   12   13   15   15   17   19   20   21   23   24   25   26 
LCS_GDT     H    20_A     H    20_A      9   11   17      7    8    8    9    9   10   11   11   12   13   15   15   17   19   20   21   23   24   25   26 
LCS_GDT     S    21_A     S    21_A      9   11   17      4    5    8    9    9   10   11   11   12   12   15   15   15   15   17   19   21   21   24   25 
LCS_GDT     E    22_A     E    22_A      6   10   17      4    5    8    8    9   10   10   10   12   13   15   15   16   17   19   20   21   23   26   29 
LCS_GDT     L    23_A     L    23_A      6   10   17      5    5    8    8    9   10   10   11   12   13   15   17   19   20   22   27   28   29   30   31 
LCS_GDT     V    24_A     V    24_A      6   10   17      5    5    8    8    9   10   10   10   11   13   15   15   17   19   21   23   27   29   30   31 
LCS_GDT     H    25_A     H    25_A      6   10   29      5    5    8    8    9   10   10   11   12   13   15   15   17   19   22   28   29   30   31   31 
LCS_GDT     R    26_A     R    26_A      6   10   29      5    5    8    8    9   10   10   14   17   21   24   26   27   28   28   29   30   30   31   31 
LCS_GDT     L    27_A     L    27_A      6   10   29      5    5    8    8    9   10   10   10   14   18   22   25   27   28   28   29   30   30   31   31 
LCS_GDT     A    28_A     A    28_A      4   10   29      4    4    4    8    9   10   10   14   17   21   24   26   27   28   28   29   30   30   31   31 
LCS_GDT     G    29_A     G    29_A      4   10   30      4    4    4    7    8   10   10   10   13   20   23   26   27   28   28   29   30   30   31   31 
LCS_GDT     D    30_A     D    30_A      4    5   31      3    4    5    6    7   10   11   14   17   21   24   26   27   28   28   29   30   30   31   31 
LCS_GDT     P    31_A     P    31_A      4    5   31      3    4    7   11   15   16   19   23   25   25   25   27   27   28   28   29   30   30   31   31 
LCS_GDT     P    32_A     P    32_A      4   21   31      3    4    5    6    7    9   19   24   25   25   26   27   27   28   28   29   30   30   31   31 
LCS_GDT     D    33_A     D    33_A     17   22   31     14   16   16   16   20   21   22   24   25   25   26   27   27   28   29   29   30   30   31   32 
LCS_GDT     E    34_A     E    34_A     17   22   31     14   16   16   16   20   21   22   24   25   25   26   27   27   28   29   29   30   30   31   32 
LCS_GDT     L    35_A     L    35_A     17   22   31     14   16   16   16   20   21   22   24   25   25   26   27   27   28   29   29   30   30   31   32 
LCS_GDT     F    36_A     F    36_A     17   22   31     14   16   16   16   20   21   22   24   25   25   26   27   27   28   29   29   30   30   31   32 
LCS_GDT     Q    37_A     Q    37_A     17   22   31     14   16   16   16   20   21   22   24   25   25   26   27   27   28   29   29   30   30   31   32 
LCS_GDT     R    38_A     R    38_A     17   22   31     14   16   16   16   20   21   22   24   25   25   26   27   27   28   29   29   30   30   31   32 
LCS_GDT     L    39_A     L    39_A     17   22   31     14   16   16   16   20   21   22   24   25   25   26   27   27   28   29   29   30   30   31   32 
LCS_GDT     D    40_A     D    40_A     17   22   31     14   16   16   16   20   21   22   24   25   25   26   27   27   28   29   29   30   30   31   32 
LCS_GDT     R    41_A     R    41_A     17   22   31     14   16   16   16   20   21   22   24   25   25   26   27   27   28   29   29   30   30   31   32 
LCS_GDT     F    42_A     F    42_A     17   22   31     14   16   16   16   20   21   22   24   25   25   26   27   27   28   29   29   30   30   31   34 
LCS_GDT     V    43_A     V    43_A     17   22   31     14   16   16   16   20   21   22   24   25   25   26   27   27   28   29   29   30   30   33   34 
LCS_GDT     T    44_A     T    44_A     17   22   31     14   16   16   16   20   21   22   24   25   25   26   27   27   28   29   29   30   30   31   34 
LCS_GDT     D    45_A     D    45_A     17   22   32     14   16   16   16   20   21   22   24   25   25   26   27   27   28   29   29   30   32   33   34 
LCS_GDT     A    46_A     A    46_A     17   22   33     14   16   16   16   20   21   22   24   25   25   26   27   27   28   29   31   31   32   33   34 
LCS_GDT     I    47_A     I    47_A     17   22   33     11   16   16   16   20   21   22   24   25   25   26   27   27   29   30   31   31   32   33   34 
LCS_GDT     I    48_A     I    48_A     17   22   33      3   16   16   16   20   21   22   24   25   25   26   27   27   29   30   31   31   32   33   34 
LCS_GDT     E    49_A     E    49_A     17   22   33      3    5    7   16   20   21   22   24   25   25   28   28   28   29   30   31   31   32   33   34 
LCS_GDT     G    50_A     G    50_A      5   22   33      3    5    6   11   18   21   22   24   26   27   28   28   28   29   30   31   31   32   33   34 
LCS_GDT     N    51_A     N    51_A      5   23   33      5    6   12   17   21   23   25   25   26   27   28   28   28   29   30   31   31   32   33   34 
LCS_GDT     P    52_A     P    52_A      5   23   33      5    5   12   17   21   23   25   25   26   27   28   28   28   29   30   31   31   32   33   34 
LCS_GDT     E    53_A     E    53_A      5   23   33      5    5    8   16   21   23   25   25   26   27   28   28   28   29   30   31   31   32   33   34 
LCS_GDT     R    54_A     R    54_A     16   23   33      8   13   15   17   21   23   25   25   26   27   28   28   28   29   30   31   31   32   33   34 
LCS_GDT     R    55_A     R    55_A     16   23   33      8   13   15   17   21   23   25   25   26   27   28   28   28   29   30   31   31   32   33   34 
LCS_GDT     D    56_A     D    56_A     16   23   33      8   13   15   17   21   23   25   25   26   27   28   28   28   29   30   31   31   32   33   35 
LCS_GDT     E    57_A     E    57_A     16   23   33      8   13   15   17   21   23   25   25   26   27   28   28   28   29   30   31   31   32   33   34 
LCS_GDT     I    58_A     I    58_A     16   23   33      8   13   15   17   21   23   25   25   26   27   28   28   28   29   30   31   31   32   33   34 
LCS_GDT     K    59_A     K    59_A     16   23   33      8   13   15   17   21   23   25   25   26   27   28   28   28   29   30   31   31   32   33   35 
LCS_GDT     A    60_A     A    60_A     16   23   33      8   13   15   17   21   23   25   25   26   27   28   28   28   29   30   31   31   32   36   41 
LCS_GDT     D    61_A     D    61_A     16   23   33      8   13   15   17   21   23   25   25   26   27   28   28   28   29   30   31   31   32   33   35 
LCS_GDT     L    62_A     L    62_A     16   23   33      8   13   15   17   21   23   25   25   26   27   28   28   28   29   30   31   31   32   33   37 
LCS_GDT     A    63_A     A    63_A     16   23   33      8   13   15   17   21   23   25   25   26   27   28   28   28   29   30   31   35   37   39   42 
LCS_GDT     R    64_A     R    64_A     16   23   33      8   13   15   17   21   23   25   25   26   27   28   28   28   29   30   31   32   37   39   42 
LCS_GDT     A    65_A     A    65_A     16   23   33      7   13   15   17   21   23   25   25   26   27   28   28   28   29   30   31   32   37   39   42 
LCS_GDT     A    66_A     A    66_A     16   23   33      8   13   15   17   21   23   25   25   26   27   28   28   28   29   30   34   38   40   42   42 
LCS_GDT     R    67_A     R    67_A     16   23   33      5    9   15   17   21   23   25   25   26   27   28   28   29   32   35   37   38   41   42   43 
LCS_GDT     V    68_A     V    68_A     16   23   33      5    9   14   17   21   23   25   25   26   27   28   28   28   29   33   36   38   41   42   43 
LCS_GDT     F    69_A     F    69_A     16   23   33      5   10   15   17   21   23   25   25   26   27   28   28   28   29   33   34   38   41   42   43 
LCS_GDT     G    70_A     G    70_A     15   23   33      5    9   14   17   21   23   25   25   26   27   28   28   30   33   35   37   38   41   42   43 
LCS_GDT     E    71_A     E    71_A     10   23   33      5    9   10   16   21   23   25   25   26   27   28   28   30   33   35   37   38   41   42   43 
LCS_GDT     A    72_A     A    72_A     10   23   33      5    9   12   17   21   23   25   25   26   27   28   28   30   33   35   37   38   41   42   43 
LCS_GDT     L    73_A     L    73_A     10   23   33      4    9   10   15   18   22   25   25   26   27   28   28   30   32   35   37   38   41   42   43 
LCS_GDT     E    74_A     E    74_A     10   19   33      3    5    8   11   13   15   19   25   26   27   28   28   30   33   35   37   38   41   42   43 
LCS_GDT     R    75_A     R    75_A     10   19   33      5    9   10   15   19   22   25   25   26   27   28   28   30   33   35   37   38   41   42   43 
LCS_GDT     D    76_A     D    76_A      3   19   33      3    3    9   15   20   23   25   25   26   27   28   28   30   33   35   37   38   41   42   43 
LCS_GDT     I    77_A     I    77_A      3    7   33      3    3    3    6    9   10   12   16   24   26   27   27   30   33   35   37   38   41   42   43 
LCS_GDT     T    78_A     T    78_A      3    7   33      3    3    4    7    8    9   11   16   18   21   24   25   27   28   33   35   38   41   42   43 
LCS_GDT     T    79_A     T    79_A      5    7   33      4    5    5    7    8    9   11   16   17   19   22   23   26   27   29   31   33   35   38   41 
LCS_GDT     P    80_A     P    80_A      5    7   30      4    5    5    7    8    9   11   16   17   19   22   23   26   26   27   29   33   35   37   42 
LCS_GDT     E    81_A     E    81_A      5    7   25      4    5    5    7    8    9   11   16   17   19   22   23   26   26   27   29   33   35   39   42 
LCS_GDT     D    82_A     D    82_A      5    7   30      4    5    5    7    8    9   11   16   18   19   22   25   26   28   33   37   38   41   42   43 
LCS_GDT     F    83_A     F    83_A      5    7   31      4    5    5    7    9   10   12   16   17   20   25   27   30   33   35   37   38   41   42   43 
LCS_GDT     N    84_A     N    84_A      3    6   31      3    4    4    5    9   10   12   13   16   20   25   27   30   33   35   37   38   41   42   43 
LCS_GDT     A    85_A     A    85_A      3    5   31      3    3    4    5    9   10   11   14   21   22   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     F    86_A     F    86_A      3    5   31      3    4    9   19   22   23   24   24   24   26   26   26   27   29   30   33   38   40   41   43 
LCS_GDT     L    87_A     L    87_A      5   25   31      5    5    5    5    7   23   24   24   25   26   26   26   29   33   35   37   38   41   42   43 
LCS_GDT     R    88_A     R    88_A      5   25   31      5    5    5    7   14   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     E    89_A     E    89_A      5   25   31      5    5    5    9   15   21   21   23   25   26   26   26   27   31   34   37   38   41   42   43 
LCS_GDT     L    90_A     L    90_A     20   25   31      5    5    7   19   20   21   22   23   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     G    91_A     G    91_A     21   25   31      5   19   19   21   22   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     P    92_A     P    92_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   26   27   32   35   37   38   41   42   43 
LCS_GDT     E    93_A     E    93_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   26   27   27   33   34   37   37   41   42 
LCS_GDT     A    94_A     A    94_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   26   30   33   35   37   38   41   42   43 
LCS_GDT     V    95_A     V    95_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     E    96_A     E    96_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   26   30   33   35   37   38   41   42   43 
LCS_GDT     L    97_A     L    97_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   26   27   33   35   37   38   41   42   43 
LCS_GDT     V    98_A     V    98_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     S    99_A     S    99_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     T   100_A     T   100_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     F   101_A     F   101_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     T   102_A     T   102_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     Q   103_A     Q   103_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     Q   104_A     Q   104_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     F   105_A     F   105_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     V   106_A     V   106_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     D   107_A     D   107_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     V   108_A     V   108_A     21   25   31     17   19   19   21   22   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     I   109_A     I   109_A     21   25   31      4   19   19   21   22   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     R   110_A     R   110_A     21   25   31      4    8   17   21   22   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     G   111_A     G   111_A     21   25   31      4    6   17   21   22   23   24   24   25   26   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     D   112_A     D   112_A      3    4   31      3    3    4    4    5    5    9   15   21   25   26   27   30   33   35   37   38   41   42   43 
LCS_GDT     P   113_A     P   113_A      3    4   31      3    3    4    4    5    5    5    8   12   13   21   21   25   29   33   36   37   39   41   43 
LCS_GDT     Q   114_A     Q   114_A      3    4   31      3    3    3    3    5    5    5    6   12   13   17   18   19   21   28   31   36   39   40   41 
LCS_AVERAGE  LCS_A:  13.37  (   8.29   12.20   19.61 )

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     17     19     19     21     22     23     25     25     26     27     28     28     30     33     35     37     38     41     42     43 
GDT PERCENT_AT  11.26  12.58  12.58  13.91  14.57  15.23  16.56  16.56  17.22  17.88  18.54  18.54  19.87  21.85  23.18  24.50  25.17  27.15  27.81  28.48
GDT RMS_LOCAL    0.27   0.46   0.46   0.95   1.35   1.47   2.11   2.11   2.34   2.61   2.96   2.96   4.59   4.85   5.04   5.31   5.41   5.85   5.99   6.10
GDT RMS_ALL_AT  50.00  50.06  50.06  49.38  47.48  47.31  33.18  33.18  32.84  32.55  32.29  32.29  37.67  37.55  37.35  37.16  37.20  36.84  36.64  36.92

# Checking swapping
#   possible swapping detected:  F    16_A      F    16_A
#   possible swapping detected:  E    22_A      E    22_A
#   possible swapping detected:  D    30_A      D    30_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    34_A      E    34_A
#   possible swapping detected:  F    36_A      F    36_A
#   possible swapping detected:  E    57_A      E    57_A
#   possible swapping detected:  F    69_A      F    69_A
#   possible swapping detected:  D    76_A      D    76_A
#   possible swapping detected:  E    81_A      E    81_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  F    86_A      F    86_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E    93_A      E    93_A
#   possible swapping detected:  E    96_A      E    96_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    50.580     0    0.438   0.567    53.530    0.000    0.000
LGA    A    12_A      A    12_A    55.023     0    0.373   0.367    57.316    0.000    0.000
LGA    V    13_A      V    13_A    49.969     0    0.274   1.252    51.371    0.000    0.000
LGA    E    14_A      E    14_A    48.396     0    0.203   0.674    50.600    0.000    0.000
LGA    D    15_A      D    15_A    54.198     0    0.053   0.168    58.154    0.000    0.000
LGA    F    16_A      F    16_A    53.013     0    0.052   1.436    53.226    0.000    0.000
LGA    L    17_A      L    17_A    48.866     0    0.021   0.067    50.092    0.000    0.000
LGA    R    18_A      R    18_A    52.250     0    0.138   1.134    54.397    0.000    0.000
LGA    V    19_A      V    19_A    57.289     0    0.018   1.117    61.620    0.000    0.000
LGA    H    20_A      H    20_A    54.852     0    0.549   0.951    55.274    0.000    0.000
LGA    S    21_A      S    21_A    55.665     0    0.041   0.612    58.043    0.000    0.000
LGA    E    22_A      E    22_A    58.823     0    0.236   1.394    67.037    0.000    0.000
LGA    L    23_A      L    23_A    55.165     0    0.139   1.385    57.093    0.000    0.000
LGA    V    24_A      V    24_A    50.188     0    0.084   0.932    52.211    0.000    0.000
LGA    H    25_A      H    25_A    50.109     0    0.114   0.283    56.361    0.000    0.000
LGA    R    26_A      R    26_A    51.803     0    0.289   0.706    60.503    0.000    0.000
LGA    L    27_A      L    27_A    48.867     0    0.072   0.978    49.917    0.000    0.000
LGA    A    28_A      A    28_A    42.824     0    0.041   0.036    45.027    0.000    0.000
LGA    G    29_A      G    29_A    46.466     0    0.181   0.181    47.142    0.000    0.000
LGA    D    30_A      D    30_A    46.332     0    0.212   1.109    47.710    0.000    0.000
LGA    P    31_A      P    31_A    46.216     0    0.216   0.203    46.216    0.000    0.000
LGA    P    32_A      P    32_A    43.612     0    0.622   0.669    47.590    0.000    0.000
LGA    D    33_A      D    33_A    36.817     0    0.602   1.333    39.271    0.000    0.000
LGA    E    34_A      E    34_A    35.944     0    0.043   0.250    37.103    0.000    0.000
LGA    L    35_A      L    35_A    34.326     0    0.049   1.370    37.119    0.000    0.000
LGA    F    36_A      F    36_A    31.156     0    0.068   0.225    32.774    0.000    0.000
LGA    Q    37_A      Q    37_A    30.207     0    0.000   0.519    34.553    0.000    0.000
LGA    R    38_A      R    38_A    29.580     0    0.000   1.076    34.636    0.000    0.000
LGA    L    39_A      L    39_A    26.939     0    0.057   1.421    28.972    0.000    0.000
LGA    D    40_A      D    40_A    24.339     0    0.041   0.659    26.428    0.000    0.000
LGA    R    41_A      R    41_A    24.058     0    0.060   1.125    29.580    0.000    0.000
LGA    F    42_A      F    42_A    22.637     0    0.027   0.113    23.925    0.000    0.000
LGA    V    43_A      V    43_A    19.508     0    0.040   0.108    21.141    0.000    0.000
LGA    T    44_A      T    44_A    17.838     0    0.056   1.080    19.332    0.000    0.000
LGA    D    45_A      D    45_A    17.354     0    0.075   0.101    21.430    0.000    0.000
LGA    A    46_A      A    46_A    15.408     0    0.110   0.112    16.736    0.000    0.000
LGA    I    47_A      I    47_A    11.998     0    0.007   1.111    13.523    0.357    0.179
LGA    I    48_A      I    48_A    10.830     0    0.564   1.457    16.264    0.000    0.000
LGA    E    49_A      E    49_A     8.931     0    0.114   0.718    11.913    5.357    2.434
LGA    G    50_A      G    50_A     7.180     0    0.020   0.020     7.873   20.000   20.000
LGA    N    51_A      N    51_A     1.804     0    0.603   0.661     7.368   67.143   46.667
LGA    P    52_A      P    52_A     1.596     0    0.128   0.441     2.876   66.905   64.898
LGA    E    53_A      E    53_A     2.475     0    0.208   0.668     3.724   59.405   55.820
LGA    R    54_A      R    54_A     2.488     0    0.386   1.232     5.317   68.810   51.169
LGA    R    55_A      R    55_A     2.924     0    0.045   0.839     6.451   61.190   43.420
LGA    D    56_A      D    56_A     2.021     0    0.080   0.527     3.986   70.952   61.429
LGA    E    57_A      E    57_A     1.354     0    0.095   0.352     2.922   83.810   74.180
LGA    I    58_A      I    58_A     1.425     0    0.157   1.592     4.139   81.429   69.702
LGA    K    59_A      K    59_A     0.931     0    0.089   0.704     1.981   88.214   83.545
LGA    A    60_A      A    60_A     1.165     0    0.115   0.135     1.533   83.690   81.524
LGA    D    61_A      D    61_A     1.560     0    0.042   0.190     2.029   72.976   71.905
LGA    L    62_A      L    62_A     1.520     0    0.030   0.872     4.014   77.143   68.512
LGA    A    63_A      A    63_A     1.087     0    0.037   0.041     2.005   77.381   78.190
LGA    R    64_A      R    64_A     2.426     0    0.012   1.445     5.991   61.190   44.026
LGA    A    65_A      A    65_A     3.244     0    0.075   0.078     3.734   53.571   51.524
LGA    A    66_A      A    66_A     1.791     0    0.074   0.072     2.260   77.381   76.476
LGA    R    67_A      R    67_A     1.919     0    0.095   1.500     7.751   68.810   51.342
LGA    V    68_A      V    68_A     2.974     0    0.078   0.123     4.682   62.976   51.973
LGA    F    69_A      F    69_A     1.867     0    0.031   1.140     3.298   75.119   67.446
LGA    G    70_A      G    70_A     0.348     0    0.000   0.000     1.324   90.595   90.595
LGA    E    71_A      E    71_A     1.629     0    0.086   0.172     3.850   79.286   65.503
LGA    A    72_A      A    72_A     0.716     0    0.130   0.142     3.097   76.310   75.619
LGA    L    73_A      L    73_A     3.728     0    0.138   1.397     5.982   40.238   41.964
LGA    E    74_A      E    74_A     5.935     0    0.482   0.880    12.716   28.929   14.286
LGA    R    75_A      R    75_A     3.362     0    0.241   1.217     4.266   48.571   48.961
LGA    D    76_A      D    76_A     2.204     0    0.250   1.501     5.860   59.167   45.536
LGA    I    77_A      I    77_A     5.767     0    0.120   0.181     9.796   20.476   14.048
LGA    T    78_A      T    78_A    10.396     0    0.149   1.008    13.850    1.190    1.020
LGA    T    79_A      T    79_A    14.110     0    0.230   1.144    16.010    0.000    0.000
LGA    P    80_A      P    80_A    20.513     0    0.060   0.241    23.094    0.000    0.000
LGA    E    81_A      E    81_A    21.123     0    0.041   1.085    26.467    0.000    0.000
LGA    D    82_A      D    82_A    14.822     0    0.041   1.094    16.637    0.000    0.000
LGA    F    83_A      F    83_A    15.862     0    0.577   0.898    17.585    0.000    0.000
LGA    N    84_A      N    84_A    20.697     0    0.658   1.044    25.620    0.000    0.000
LGA    A    85_A      A    85_A    17.894     0    0.056   0.059    18.868    0.000    0.000
LGA    F    86_A      F    86_A    19.721     0    0.195   1.036    23.807    0.000    0.000
LGA    L    87_A      L    87_A    24.777     0    0.570   0.557    28.909    0.000    0.000
LGA    R    88_A      R    88_A    24.812     0    0.041   0.785    28.325    0.000    0.000
LGA    E    89_A      E    89_A    24.062     0    0.017   1.038    25.080    0.000    0.000
LGA    L    90_A      L    90_A    23.214     0    0.231   1.324    25.456    0.000    0.000
LGA    G    91_A      G    91_A    23.028     0    0.273   0.273    23.495    0.000    0.000
LGA    P    92_A      P    92_A    24.712     0    0.157   0.189    26.444    0.000    0.000
LGA    E    93_A      E    93_A    21.552     0    0.032   1.040    22.643    0.000    0.000
LGA    A    94_A      A    94_A    22.610     0    0.060   0.064    25.074    0.000    0.000
LGA    V    95_A      V    95_A    26.547     0    0.051   0.944    28.603    0.000    0.000
LGA    E    96_A      E    96_A    27.034     0    0.028   1.119    29.024    0.000    0.000
LGA    L    97_A      L    97_A    25.497     0    0.064   1.368    28.553    0.000    0.000
LGA    V    98_A      V    98_A    29.621     0    0.000   0.109    33.150    0.000    0.000
LGA    S    99_A      S    99_A    33.199     0    0.093   0.099    35.686    0.000    0.000
LGA    T   100_A      T   100_A    32.184     0    0.059   1.154    34.958    0.000    0.000
LGA    F   101_A      F   101_A    34.283     0    0.060   0.325    38.934    0.000    0.000
LGA    T   102_A      T   102_A    38.964     0    0.076   0.848    42.493    0.000    0.000
LGA    Q   103_A      Q   103_A    41.052     0    0.085   0.153    46.167    0.000    0.000
LGA    Q   104_A      Q   104_A    40.165     0    0.042   1.262    43.607    0.000    0.000
LGA    F   105_A      F   105_A    44.355     0    0.057   1.403    49.004    0.000    0.000
LGA    V   106_A      V   106_A    49.314     0    0.035   0.057    52.075    0.000    0.000
LGA    D   107_A      D   107_A    48.051     0    0.063   1.058    50.437    0.000    0.000
LGA    V   108_A      V   108_A    49.218     0    0.102   1.267    53.639    0.000    0.000
LGA    I   109_A      I   109_A    55.469     0    0.000   0.656    59.334    0.000    0.000
LGA    R   110_A      R   110_A    58.656     0    0.058   0.991    63.343    0.000    0.000
LGA    G   111_A      G   111_A    55.554     0    0.284   0.284    56.400    0.000    0.000
LGA    D   112_A      D   112_A    55.616     0    0.355   0.806    55.821    0.000    0.000
LGA    P   113_A      P   113_A    55.862     0    0.571   0.526    58.751    0.000    0.000
LGA    Q   114_A      Q   114_A    54.096     0    0.638   1.230    57.699    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     837    837  100.00               151
SUMMARY(RMSD_GDC):    25.779         25.764                 26.390           12.110   10.688

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  110  151    4.0     25    2.11    16.887    15.479     1.129

LGA_LOCAL      RMSD:   2.114  Number of atoms:   25  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  33.178  Number of assigned atoms:  104 
Std_ASGN_ATOMS RMSD:  25.779  Standard rmsd on all 104 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.746612 * X  +  -0.501153 * Y  +  -0.437510 * Z  +  -0.342786
  Y_new =  -0.342401 * X  +   0.274377 * Y  +  -0.898598 * Z  + 271.205444
  Z_new =   0.570378 * X  +   0.820709 * Y  +   0.033257 * Z  + -246.103348 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.429988 -0.606966  1.530296   [DEG:  -24.6365  -34.7766   87.6795 ]
ZXZ: -0.453097  1.537533  0.607350   [DEG:  -25.9606   88.0941   34.7986 ]
 
# END of job
