
#######################################################
#                                                     #
#                        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  109 (  875),  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:    34      49_A - 82_A        4.99    38.33
  LONGEST_CONTINUOUS_SEGMENT:    34      50_A - 83_A        4.85    38.72
  LCS_AVERAGE:     18.77

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    28      51_A - 78_A        1.83    37.46
  LCS_AVERAGE:     12.12

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    23      54_A - 76_A        0.97    36.66
  LCS_AVERAGE:      9.46

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    4    5    8   10   11   11   12   14   15   15   16   17   18   20   20   23   25   26 
LCS_GDT     A    12_A     A    12_A      8   11   16      3    4    4    9    9   10   11   11   12   14   15   15   17   18   20   21   23   23   25   26 
LCS_GDT     V    13_A     V    13_A      9   11   16      4    8    8    9    9   10   11   11   12   14   15   15   17   18   20   21   23   23   25   26 
LCS_GDT     E    14_A     E    14_A      9   11   16      6    8    8    9    9   10   11   11   12   14   15   15   17   18   20   21   23   23   25   26 
LCS_GDT     D    15_A     D    15_A      9   11   16      6    8    8    9    9   10   11   11   12   14   15   15   17   18   20   21   23   23   25   26 
LCS_GDT     F    16_A     F    16_A      9   11   16      6    8    8    9    9   10   11   11   12   14   15   15   17   18   20   21   23   23   25   26 
LCS_GDT     L    17_A     L    17_A      9   11   16      6    8    8    9    9   10   11   11   12   14   15   15   17   18   20   21   23   23   25   26 
LCS_GDT     R    18_A     R    18_A      9   11   16      6    8    8    9    9   10   11   11   12   14   15   15   17   18   20   21   23   23   25   26 
LCS_GDT     V    19_A     V    19_A      9   11   16      6    8    8    9    9   10   11   11   12   14   15   15   17   18   20   21   23   23   25   26 
LCS_GDT     H    20_A     H    20_A      9   11   16      6    8    8    9    9   10   11   11   12   14   15   15   16   18   20   21   23   23   25   26 
LCS_GDT     S    21_A     S    21_A      9   11   16      5    5    8    9    9   10   11   11   12   14   15   15   15   15   17   19   21   21   24   25 
LCS_GDT     E    22_A     E    22_A      6    9   16      5    5    8    8    9   10   10   10   12   14   15   15   15   17   18   20   24   25   31   33 
LCS_GDT     L    23_A     L    23_A      6    9   16      5    5    8    8    9   10   10   11   12   14   16   20   23   27   29   31   31   32   32   33 
LCS_GDT     V    24_A     V    24_A      6    9   16      5    5    8    8    9   10   10   10   11   14   15   15   17   18   22   25   29   31   32   33 
LCS_GDT     H    25_A     H    25_A      6    9   30      5    5    8    8    9   10   10   11   12   14   15   15   21   27   29   31   31   32   32   33 
LCS_GDT     R    26_A     R    26_A      6    9   30      5    5    8    8    9   10   10   12   15   19   24   27   28   29   30   31   31   32   32   33 
LCS_GDT     L    27_A     L    27_A      6    9   30      5    5    8    8    9   10   10   11   13   17   21   27   28   29   29   31   31   32   32   33 
LCS_GDT     A    28_A     A    28_A      4    9   30      4    4    4    6    9   10   10   13   15   19   24   27   28   29   30   31   31   32   32   33 
LCS_GDT     G    29_A     G    29_A      4    9   30      4    4    4    6    8   10   11   11   15   18   24   27   28   29   30   31   31   32   32   33 
LCS_GDT     D    30_A     D    30_A      4    6   30      3    4    5    6    8    9   13   17   22   25   26   27   28   29   30   31   31   32   32   33 
LCS_GDT     P    31_A     P    31_A      4    6   30      3    4    5    6    8    9   13   20   24   25   26   27   28   29   30   31   31   32   32   33 
LCS_GDT     P    32_A     P    32_A      4   21   30      3    4    5    6    9   15   19   22   24   25   26   27   28   29   30   31   31   32   32   33 
LCS_GDT     D    33_A     D    33_A     19   21   30     16   18   18   19   20   20   21   22   24   25   26   27   28   29   30   31   31   32   32   33 
LCS_GDT     E    34_A     E    34_A     19   21   30     16   18   18   19   20   20   21   22   24   25   26   27   28   29   30   31   31   32   32   33 
LCS_GDT     L    35_A     L    35_A     19   21   30     16   18   18   19   20   20   21   22   24   25   26   27   28   29   30   31   31   32   32   33 
LCS_GDT     F    36_A     F    36_A     19   21   30     15   18   18   19   20   20   21   22   24   25   26   27   28   29   30   31   31   32   32   33 
LCS_GDT     Q    37_A     Q    37_A     19   21   30     16   18   18   19   20   20   21   22   24   25   26   27   28   29   30   31   31   32   32   33 
LCS_GDT     R    38_A     R    38_A     19   21   30     16   18   18   19   20   20   21   22   24   25   26   27   28   29   30   31   31   32   32   33 
LCS_GDT     L    39_A     L    39_A     19   21   30     16   18   18   19   20   20   21   22   24   25   26   27   28   29   30   31   31   32   32   33 
LCS_GDT     D    40_A     D    40_A     19   21   30     16   18   18   19   20   20   21   22   24   25   26   27   28   29   30   31   31   32   32   33 
LCS_GDT     R    41_A     R    41_A     19   21   30     16   18   18   19   20   20   21   22   24   25   26   27   28   29   30   31   31   32   32   33 
LCS_GDT     F    42_A     F    42_A     19   21   30     16   18   18   19   20   20   21   22   24   25   26   27   28   29   30   31   31   32   32   33 
LCS_GDT     V    43_A     V    43_A     19   21   30     16   18   18   19   20   20   21   22   24   25   26   27   28   29   30   31   31   32   32   33 
LCS_GDT     T    44_A     T    44_A     19   21   30     16   18   18   19   20   20   21   22   24   25   26   27   28   29   30   31   31   32   32   33 
LCS_GDT     D    45_A     D    45_A     19   21   30     16   18   18   19   20   20   21   22   24   25   26   27   28   29   30   31   31   32   32   33 
LCS_GDT     A    46_A     A    46_A     19   21   33     16   18   18   19   20   20   21   22   24   25   26   27   28   29   30   31   31   32   33   33 
LCS_GDT     I    47_A     I    47_A     19   21   33     12   18   18   19   20   20   21   22   24   25   26   27   28   29   30   31   31   32   33   33 
LCS_GDT     I    48_A     I    48_A     19   21   33     16   18   18   19   20   20   21   22   24   25   26   27   28   29   30   31   31   32   33   33 
LCS_GDT     E    49_A     E    49_A     19   21   34     16   18   18   19   20   20   21   22   24   25   26   27   28   30   30   31   31   32   33   33 
LCS_GDT     G    50_A     G    50_A     19   21   34     16   18   18   19   20   20   21   22   25   26   27   28   29   30   30   31   31   32   33   34 
LCS_GDT     N    51_A     N    51_A     19   28   34      4    5    8   19   24   26   27   28   28   29   29   29   29   30   30   31   33   34   34   35 
LCS_GDT     P    52_A     P    52_A      5   28   34      5    8   19   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   34   35 
LCS_GDT     E    53_A     E    53_A     20   28   34      4    5    5    7   22   26   27   28   28   29   29   29   29   30   30   31   33   34   34   35 
LCS_GDT     R    54_A     R    54_A     23   28   34      5   19   20   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   34   35 
LCS_GDT     R    55_A     R    55_A     23   28   34      7   19   20   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   34   35 
LCS_GDT     D    56_A     D    56_A     23   28   34     13   19   20   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   34   35 
LCS_GDT     E    57_A     E    57_A     23   28   34     13   19   20   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   34   35 
LCS_GDT     I    58_A     I    58_A     23   28   34     13   19   20   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   34   35 
LCS_GDT     K    59_A     K    59_A     23   28   34      9   19   20   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   34   35 
LCS_GDT     A    60_A     A    60_A     23   28   34      7   19   20   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   34   35 
LCS_GDT     D    61_A     D    61_A     23   28   34     13   19   20   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   34   35 
LCS_GDT     L    62_A     L    62_A     23   28   34     13   19   20   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   34   35 
LCS_GDT     A    63_A     A    63_A     23   28   34     13   19   20   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   34   35 
LCS_GDT     R    64_A     R    64_A     23   28   34     13   19   20   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   34   35 
LCS_GDT     A    65_A     A    65_A     23   28   34     13   19   20   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   34   35 
LCS_GDT     A    66_A     A    66_A     23   28   34     13   19   20   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   34   35 
LCS_GDT     R    67_A     R    67_A     23   28   34     13   19   20   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   36   38 
LCS_GDT     V    68_A     V    68_A     23   28   34     11   19   20   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   35   37 
LCS_GDT     F    69_A     F    69_A     23   28   34     13   19   20   23   24   26   27   28   28   29   29   29   29   30   30   31   33   34   35   38 
LCS_GDT     G    70_A     G    70_A     23   28   34     13   19   20   23   24   26   27   28   28   29   29   29   29   32   33   34   36   37   38   39 
LCS_GDT     E    71_A     E    71_A     23   28   34     13   19   20   23   24   26   27   28   28   29   29   29   30   32   33   34   36   37   38   39 
LCS_GDT     A    72_A     A    72_A     23   28   34     13   19   20   23   24   26   27   28   28   29   29   29   30   32   33   34   36   37   38   39 
LCS_GDT     L    73_A     L    73_A     23   28   34      4   15   20   23   24   26   27   28   28   29   29   29   30   32   33   34   36   37   38   39 
LCS_GDT     E    74_A     E    74_A     23   28   34      4   15   20   23   24   26   27   28   28   29   29   29   30   32   33   34   36   37   38   39 
LCS_GDT     R    75_A     R    75_A     23   28   34      3   17   20   23   24   26   27   28   28   29   29   29   30   32   33   34   36   37   38   39 
LCS_GDT     D    76_A     D    76_A     23   28   34      3    6   19   23   24   26   27   28   28   29   29   29   30   32   33   34   36   37   38   39 
LCS_GDT     I    77_A     I    77_A      5   28   34      3    4    8   16   21   25   27   28   28   29   29   29   30   32   33   34   36   37   38   39 
LCS_GDT     T    78_A     T    78_A      5   28   34      3    4   15   22   24   25   27   28   28   29   29   29   29   31   33   34   36   37   38   39 
LCS_GDT     T    79_A     T    79_A      5   26   34      3    4    7   14   20   25   25   28   28   29   29   29   29   30   30   31   33   34   34   36 
LCS_GDT     P    80_A     P    80_A      5    9   34      3    4    6    6    7    9   11   14   17   20   23   27   29   30   30   31   33   34   34   35 
LCS_GDT     E    81_A     E    81_A      4    9   34      3    3    4    9   11   11   13   14   15   16   17   18   20   22   27   30   33   34   35   38 
LCS_GDT     D    82_A     D    82_A      7    9   34      4    6    8    9   11   11   13   14   15   16   19   22   27   31   33   34   36   37   37   39 
LCS_GDT     F    83_A     F    83_A      7    9   34      4    6    8    9   11   11   13   14   16   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     N    84_A     N    84_A      7    9   22      4    6    8    9   11   11   13   15   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     A    85_A     A    85_A      7    9   22      4    6    8    9   11   11   13   16   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     F    86_A     F    86_A      7    9   26      4    6    8    9   11   11   13   15   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     L    87_A     L    87_A      7    9   26      4    6    8    9   15   17   18   18   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     R    88_A     R    88_A      7    9   26      0    6    8    9   11   11   13   14   15   15   16   25   26   30   32   33   36   37   38   39 
LCS_GDT     E    89_A     E    89_A      3    9   26      0    3    3    6   10   11   13   14   15   16   17   18   19   21   23   27   34   36   38   39 
LCS_GDT     L    90_A     L    90_A      3    5   26      0    3    3    5    6    6    8   14   15   16   17   19   21   23   24   29   34   36   38   39 
LCS_GDT     G    91_A     G    91_A      3    5   26      3    3    3    5    6    8    9   14   15   17   23   25   28   30   32   33   36   37   38   39 
LCS_GDT     P    92_A     P    92_A      3    5   26      3    3    3    5    7    8   12   16   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     E    93_A     E    93_A      3    5   26      3    3    3    4    5    8   12   16   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     A    94_A     A    94_A      3   18   26      3    3    3    4    5    6    9   14   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     V    95_A     V    95_A     17   18   26      3   11   16   17   17   17   18   18   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     E    96_A     E    96_A     17   18   26     10   14   16   17   17   17   18   18   18   20   21   24   30   32   33   34   36   37   38   39 
LCS_GDT     L    97_A     L    97_A     17   18   26     10   14   16   17   17   17   18   18   18   20   21   21   22   29   30   33   35   37   38   39 
LCS_GDT     V    98_A     V    98_A     17   18   26     10   14   16   17   17   17   18   18   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     S    99_A     S    99_A     17   18   26     10   14   16   17   17   17   18   18   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     T   100_A     T   100_A     17   18   26     10   14   16   17   17   17   18   18   18   20   23   28   30   32   33   34   36   37   38   39 
LCS_GDT     F   101_A     F   101_A     17   18   26     10   14   16   17   17   17   18   18   18   20   23   28   30   32   33   34   36   37   38   39 
LCS_GDT     T   102_A     T   102_A     17   18   26     10   14   16   17   17   17   18   18   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     Q   103_A     Q   103_A     17   18   26     10   14   16   17   17   17   18   18   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     Q   104_A     Q   104_A     17   18   26     10   14   16   17   17   17   18   18   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     F   105_A     F   105_A     17   18   26     10   14   16   17   17   17   18   18   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     V   106_A     V   106_A     17   18   26      7   14   16   17   17   17   18   18   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     D   107_A     D   107_A     17   18   26      6   14   16   17   17   17   18   18   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     V   108_A     V   108_A     17   18   26      6   14   16   17   17   17   18   18   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     I   109_A     I   109_A     17   18   26      7   14   16   17   17   17   18   18   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     R   110_A     R   110_A     17   18   26      5   11   16   17   17   17   18   18   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_GDT     G   111_A     G   111_A     17   18   26      5    8   16   17   17   17   18   18   18   21   24   28   30   32   33   34   36   37   38   39 
LCS_AVERAGE  LCS_A:  13.45  (   9.46   12.12   18.77 )

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     16     19     20     23     24     26     27     28     28     29     29     29     30     32     33     34     36     37     38     39 
GDT PERCENT_AT  10.60  12.58  13.25  15.23  15.89  17.22  17.88  18.54  18.54  19.21  19.21  19.21  19.87  21.19  21.85  22.52  23.84  24.50  25.17  25.83
GDT RMS_LOCAL    0.35   0.57   0.63   0.97   1.12   1.37   1.59   1.83   1.83   2.18   2.18   2.18   4.46   4.69   5.06   5.08   5.37   5.48   5.76   5.88
GDT RMS_ALL_AT  37.71  36.92  36.90  36.66  36.79  36.77  37.24  37.46  37.46  38.03  38.03  38.03  42.92  42.67  42.35  42.46  42.72  42.63  42.92  42.86

# Checking swapping
#   possible swapping detected:  E    14_A      E    14_A
#   possible swapping detected:  E    22_A      E    22_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:  D    40_A      D    40_A
#   possible swapping detected:  F    42_A      F    42_A
#   possible swapping detected:  D    45_A      D    45_A
#   possible swapping detected:  E    49_A      E    49_A
#   possible swapping detected:  E    53_A      E    53_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:  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    54.045     0    0.458   0.577    56.786    0.000    0.000
LGA    A    12_A      A    12_A    58.071     0    0.424   0.415    59.334    0.000    0.000
LGA    V    13_A      V    13_A    52.658     0    0.336   1.256    54.122    0.000    0.000
LGA    E    14_A      E    14_A    55.410     0    0.239   0.995    58.756    0.000    0.000
LGA    D    15_A      D    15_A    60.899     0    0.036   0.124    64.130    0.000    0.000
LGA    F    16_A      F    16_A    57.504     0    0.033   0.130    58.601    0.000    0.000
LGA    L    17_A      L    17_A    56.415     0    0.020   0.083    59.548    0.000    0.000
LGA    R    18_A      R    18_A    62.775     0    0.133   1.213    67.333    0.000    0.000
LGA    V    19_A      V    19_A    65.965     0    0.116   0.173    67.568    0.000    0.000
LGA    H    20_A      H    20_A    62.229     0    0.571   1.070    63.270    0.000    0.000
LGA    S    21_A      S    21_A    66.271     0    0.093   0.526    69.222    0.000    0.000
LGA    E    22_A      E    22_A    66.973     0    0.151   0.919    70.331    0.000    0.000
LGA    L    23_A      L    23_A    62.832     0    0.132   1.389    64.104    0.000    0.000
LGA    V    24_A      V    24_A    63.003     0    0.065   0.884    63.767    0.000    0.000
LGA    H    25_A      H    25_A    65.563     0    0.198   0.220    68.540    0.000    0.000
LGA    R    26_A      R    26_A    64.297     0    0.294   1.198    66.446    0.000    0.000
LGA    L    27_A      L    27_A    61.817     0    0.025   1.006    65.242    0.000    0.000
LGA    A    28_A      A    28_A    59.148     0    0.008   0.009    60.249    0.000    0.000
LGA    G    29_A      G    29_A    60.604     0    0.041   0.041    60.690    0.000    0.000
LGA    D    30_A      D    30_A    59.171     0    0.066   0.297    59.562    0.000    0.000
LGA    P    31_A      P    31_A    59.011     0    0.051   0.117    60.415    0.000    0.000
LGA    P    32_A      P    32_A    53.689     0    0.576   0.620    58.311    0.000    0.000
LGA    D    33_A      D    33_A    50.504     0    0.559   1.360    51.723    0.000    0.000
LGA    E    34_A      E    34_A    49.754     0    0.094   1.026    51.734    0.000    0.000
LGA    L    35_A      L    35_A    45.171     0    0.166   1.333    47.318    0.000    0.000
LGA    F    36_A      F    36_A    40.705     0    0.057   1.423    42.855    0.000    0.000
LGA    Q    37_A      Q    37_A    41.312     0    0.018   0.628    49.102    0.000    0.000
LGA    R    38_A      R    38_A    39.442     0    0.029   1.162    49.961    0.000    0.000
LGA    L    39_A      L    39_A    34.188     0    0.021   1.412    36.583    0.000    0.000
LGA    D    40_A      D    40_A    31.957     0    0.065   1.047    33.813    0.000    0.000
LGA    R    41_A      R    41_A    31.829     0    0.096   1.338    39.269    0.000    0.000
LGA    F    42_A      F    42_A    28.867     0    0.020   0.104    30.465    0.000    0.000
LGA    V    43_A      V    43_A    24.007     0    0.007   0.095    26.322    0.000    0.000
LGA    T    44_A      T    44_A    22.617     0    0.069   1.054    25.523    0.000    0.000
LGA    D    45_A      D    45_A    21.629     0    0.044   1.102    26.946    0.000    0.000
LGA    A    46_A      A    46_A    18.665     0    0.073   0.075    20.153    0.000    0.000
LGA    I    47_A      I    47_A    13.821     0    0.147   0.208    16.425    0.000    0.000
LGA    I    48_A      I    48_A    13.407     0    0.010   0.063    19.791    0.000    0.000
LGA    E    49_A      E    49_A    12.406     0    0.131   0.878    19.134    0.000    0.000
LGA    G    50_A      G    50_A    10.056     0    0.037   0.037    10.928    5.000    5.000
LGA    N    51_A      N    51_A     3.067     0    0.583   1.138     5.687   54.405   43.690
LGA    P    52_A      P    52_A     1.858     0    0.063   0.384     3.530   68.810   60.816
LGA    E    53_A      E    53_A     3.259     0    0.179   0.895     7.567   51.905   35.185
LGA    R    54_A      R    54_A     1.375     0    0.418   1.172     6.857   83.690   54.675
LGA    R    55_A      R    55_A     2.077     0    0.133   1.433    10.727   68.810   36.753
LGA    D    56_A      D    56_A     1.640     0    0.093   0.499     3.613   77.143   68.333
LGA    E    57_A      E    57_A     0.663     0    0.117   0.254     1.210   88.214   89.524
LGA    I    58_A      I    58_A     0.599     0    0.144   0.712     1.672   90.476   84.881
LGA    K    59_A      K    59_A     0.494     0    0.088   0.672     2.262   95.238   81.164
LGA    A    60_A      A    60_A     0.502     0    0.053   0.061     0.649   92.857   92.381
LGA    D    61_A      D    61_A     0.635     0    0.018   0.239     1.768   95.238   88.393
LGA    L    62_A      L    62_A     0.736     0    0.098   1.122     4.287   90.595   79.405
LGA    A    63_A      A    63_A     1.078     0    0.256   0.260     1.986   85.952   83.333
LGA    R    64_A      R    64_A     0.799     0    0.044   1.269     3.501   90.476   74.026
LGA    A    65_A      A    65_A     0.788     0    0.038   0.041     1.113   90.595   88.762
LGA    A    66_A      A    66_A     0.915     0    0.083   0.087     1.088   88.214   86.857
LGA    R    67_A      R    67_A     0.220     0    0.148   1.191     4.139  100.000   83.117
LGA    V    68_A      V    68_A     1.359     0    0.067   0.093     2.583   83.690   74.490
LGA    F    69_A      F    69_A     1.666     0    0.033   1.170     3.329   77.143   71.169
LGA    G    70_A      G    70_A     1.155     0    0.069   0.069     1.155   85.952   85.952
LGA    E    71_A      E    71_A     0.242     0    0.016   0.359     1.951   95.238   88.624
LGA    A    72_A      A    72_A     1.599     0    0.073   0.071     2.517   77.143   73.143
LGA    L    73_A      L    73_A     2.945     0    0.019   1.393     5.452   57.262   52.560
LGA    E    74_A      E    74_A     2.276     0    0.052   0.165     4.959   68.810   53.492
LGA    R    75_A      R    75_A     1.111     0    0.588   1.526     6.968   77.619   62.294
LGA    D    76_A      D    76_A     1.559     0    0.118   0.550     4.111   61.905   56.131
LGA    I    77_A      I    77_A     4.669     0    0.347   0.753     8.898   39.286   23.452
LGA    T    78_A      T    78_A     2.844     0    0.435   1.000     3.897   51.905   61.088
LGA    T    79_A      T    79_A     7.813     0    0.554   1.374    11.033    6.071    4.150
LGA    P    80_A      P    80_A    14.568     0    0.611   0.658    16.316    0.000    0.000
LGA    E    81_A      E    81_A    17.988     0    0.241   0.942    24.780    0.000    0.000
LGA    D    82_A      D    82_A    14.665     0    0.331   1.148    15.523    0.000    0.000
LGA    F    83_A      F    83_A    13.484     0    0.152   1.434    17.465    0.000    0.000
LGA    N    84_A      N    84_A    19.671     0    0.012   0.070    22.929    0.000    0.000
LGA    A    85_A      A    85_A    19.264     0    0.026   0.024    19.264    0.000    0.000
LGA    F    86_A      F    86_A    14.343     0    0.081   1.394    16.264    0.000    0.000
LGA    L    87_A      L    87_A    19.663     0    0.034   0.160    22.637    0.000    0.000
LGA    R    88_A      R    88_A    23.522     0    0.544   1.170    27.061    0.000    0.000
LGA    E    89_A      E    89_A    24.044     0    0.603   1.149    25.854    0.000    0.000
LGA    L    90_A      L    90_A    29.099     0    0.424   1.456    32.096    0.000    0.000
LGA    G    91_A      G    91_A    35.651     0    0.679   0.679    36.964    0.000    0.000
LGA    P    92_A      P    92_A    37.268     0    0.347   0.619    38.321    0.000    0.000
LGA    E    93_A      E    93_A    35.350     0    0.068   1.018    38.787    0.000    0.000
LGA    A    94_A      A    94_A    29.121     0    0.634   0.610    31.384    0.000    0.000
LGA    V    95_A      V    95_A    27.767     0    0.558   1.431    30.166    0.000    0.000
LGA    E    96_A      E    96_A    29.791     0    0.042   0.930    31.743    0.000    0.000
LGA    L    97_A      L    97_A    27.935     0    0.044   0.201    30.446    0.000    0.000
LGA    V    98_A      V    98_A    30.340     0    0.036   0.083    33.698    0.000    0.000
LGA    S    99_A      S    99_A    34.287     0    0.073   0.656    37.223    0.000    0.000
LGA    T   100_A      T   100_A    34.840     0    0.037   0.100    37.812    0.000    0.000
LGA    F   101_A      F   101_A    36.183     0    0.109   0.175    39.620    0.000    0.000
LGA    T   102_A      T   102_A    39.372     0    0.079   0.857    43.020    0.000    0.000
LGA    Q   103_A      Q   103_A    42.761     0    0.044   0.201    48.177    0.000    0.000
LGA    Q   104_A      Q   104_A    43.155     0    0.146   1.269    46.723    0.000    0.000
LGA    F   105_A      F   105_A    45.856     0    0.022   1.264    50.174    0.000    0.000
LGA    V   106_A      V   106_A    50.720     0    0.028   0.037    54.381    0.000    0.000
LGA    D   107_A      D   107_A    52.223     0    0.102   1.099    55.468    0.000    0.000
LGA    V   108_A      V   108_A    52.887     0    0.096   0.127    57.232    0.000    0.000
LGA    I   109_A      I   109_A    57.577     0    0.251   1.299    62.145    0.000    0.000
LGA    R   110_A      R   110_A    61.624     0    0.404   1.333    63.380    0.000    0.000
LGA    G   111_A      G   111_A    61.666     0    0.626   0.626    63.009    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):    27.726         27.764                 28.123           14.567   12.867

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  109  151    4.0     28    1.83    17.219    16.027     1.450

LGA_LOCAL      RMSD:   1.831  Number of atoms:   28  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  37.459  Number of assigned atoms:  101 
Std_ASGN_ATOMS RMSD:  27.726  Standard rmsd on all 101 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.236741 * X  +  -0.843301 * Y  +  -0.482491 * Z  +  12.645341
  Y_new =  -0.533605 * X  +  -0.302150 * Y  +   0.789918 * Z  + -21.107754
  Z_new =  -0.811923 * X  +   0.444466 * Y  +  -0.378459 * Z  + -51.284832 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.988367  0.947439  2.276155   [DEG: -113.9251   54.2843  130.4141 ]
ZXZ: -2.593261  1.958927 -1.069934   [DEG: -148.5829  112.2382  -61.3027 ]
 
# END of job
