
#######################################################
#                                                     #
#                        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  101 (  823),  selected   97 , name one
# Molecule2: number of CA atoms   97 (  780),  selected   97 , 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:    47       4_A - 50_A        4.96    24.77
  LCS_AVERAGE:     35.64

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    29       4_A - 32_A        1.80    25.03
  LCS_AVERAGE:     17.26

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    22       6_A - 27_A        0.98    25.20
  LONGEST_CONTINUOUS_SEGMENT:    22       7_A - 28_A        0.98    25.22
  LCS_AVERAGE:     10.42

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   97
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     E     4_A     E     4_A     10   29   47      7   11   14   22   29   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     I     5_A     I     5_A     13   29   47      7   11   19   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     K     6_A     K     6_A     22   29   47      7   16   20   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     G     7_A     G     7_A     22   29   47      7   17   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     Y     8_A     Y     8_A     22   29   47     10   17   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     E     9_A     E     9_A     22   29   47     10   17   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     Y    10_A     Y    10_A     22   29   47      7   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     Q    11_A     Q    11_A     22   29   47     10   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     L    12_A     L    12_A     22   29   47     10   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     Y    13_A     Y    13_A     22   29   47     10   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     V    14_A     V    14_A     22   29   47     10   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     Y    15_A     Y    15_A     22   29   47      8   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     A    16_A     A    16_A     22   29   47      7   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     S    17_A     S    17_A     22   29   47      3    5   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     D    18_A     D    18_A     22   29   47      3   10   20   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     K    19_A     K    19_A     22   29   47      8   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     L    20_A     L    20_A     22   29   47      8   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     F    21_A     F    21_A     22   29   47     10   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     R    22_A     R    22_A     22   29   47     10   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     A    23_A     A    23_A     22   29   47     10   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     D    24_A     D    24_A     22   29   47      5   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     I    25_A     I    25_A     22   29   47      7   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     S    26_A     S    26_A     22   29   47      8   17   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     E    27_A     E    27_A     22   29   47     10   17   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     D    28_A     D    28_A     22   29   47      5   16   20   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     Y    29_A     Y    29_A      7   29   47      4    6   19   24   29   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     K    30_A     K    30_A      7   29   47      4    6    9   14   15   23   29   33   37   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     T    31_A     T    31_A      7   29   47      4    6   18   22   27   29   31   34   37   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     R    32_A     R    32_A      4   29   47      3    4    6    8   12   15   30   34   37   39   41   42   42   44   45   45   46   46   46   46 
LCS_GDT     G    33_A     G    33_A      5    9   47      3    5    6   22   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     R    34_A     R    34_A      5   10   47      3    5    6    7   24   34   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     K    35_A     K    35_A      5   10   47      3    5   17   23   29   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     L    36_A     L    36_A      5   10   47      3    5   12   23   29   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     L    37_A     L    37_A      5   10   47      3    5    6   14   15   27   30   33   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     R    38_A     R    38_A      6   10   47      3   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     F    39_A     F    39_A      6   10   47      7   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     N    40_A     N    40_A      6   10   47      3   10   19   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     G    41_A     G    41_A      6   10   47      1    6   17   24   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     P    42_A     P    42_A      6   10   47      3   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     V    43_A     V    43_A      6   10   47      7   18   21   25   31   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     P    44_A     P    44_A      5   10   47      4    6   11   23   28   35   36   37   38   39   41   42   43   44   45   45   46   46   46   46 
LCS_GDT     P    45_A     P    45_A      5    9   47      4    5    7   12   16   25   29   32   38   39   40   42   43   44   45   45   46   46   46   46 
LCS_GDT     P    46_A     P    46_A      5    9   47      4    5    7    9   14   19   21   29   31   35   39   41   43   44   45   45   46   46   46   46 
LCS_GDT     G    47_A     G    47_A      5    9   47      3    4    5    9   14   16   24   29   36   38   40   41   43   44   45   45   46   46   46   46 
LCS_GDT     G    48_A     G    48_A      3    6   47      3    3    4    4    7   13   20   24   32   38   39   40   43   43   45   45   46   46   46   46 
LCS_GDT     S    49_A     S    49_A      3   11   47      3    3    4    4    5    7   11   12   15   18   21   30   38   40   41   44   46   46   46   46 
LCS_GDT     G    50_A     G    50_A      9   12   47      3    6    9   10   11   11   12   13   15   15   17   21   21   23   25   30   38   38   43   45 
LCS_GDT     G    51_A     G    51_A      9   12   22      3    6    9   10   11   11   12   13   15   16   17   21   22   25   27   30   35   37   39   44 
LCS_GDT     G    52_A     G    52_A      9   12   22      3    6    9   10   11   11   14   15   16   18   20   22   24   25   28   29   33   37   39   41 
LCS_GDT     E    53_A     E    53_A      9   12   22      4    6    9   10   11   12   14   15   16   18   20   22   24   25   28   29   33   37   39   41 
LCS_GDT     W    54_A     W    54_A      9   12   23      4    6    9   10   11   12   14   15   16   18   20   22   24   25   28   30   35   37   39   44 
LCS_GDT     E    55_A     E    55_A      9   12   23      4    6    9   10   11   12   14   15   16   18   20   22   24   25   28   29   33   37   39   41 
LCS_GDT     I    56_A     I    56_A      9   12   23      4    6    9   10   11   12   14   15   16   18   20   22   24   25   28   29   33   37   39   41 
LCS_GDT     I    57_A     I    57_A      9   12   23      4    6    9   10   11   12   14   15   16   18   20   22   24   25   28   29   33   37   39   41 
LCS_GDT     D    58_A     D    58_A      9   12   23      4    5    9   10   11   12   14   15   16   18   20   22   24   25   28   29   33   37   39   41 
LCS_GDT     I    59_A     I    59_A      8   12   23      4    6    9   10   11   11   13   14   16   18   20   22   24   25   28   28   33   37   39   41 
LCS_GDT     G    60_A     G    60_A      5   12   23      3    5    8   10   10   11   12   13   16   18   20   22   24   25   28   28   33   37   39   41 
LCS_GDT     P    61_A     P    61_A      4   12   23      3    4    7    7   10   11   11   12   15   15   17   19   22   23   28   28   33   37   39   41 
LCS_GDT     F    62_A     F    62_A      4    9   23      3    4    4    6    8    9   11   12   15   15   20   20   22   23   29   30   34   37   39   41 
LCS_GDT     T    63_A     T    63_A      3    4   23      3    3    4    4    6    8    9   11   14   15   17   19   21   25   28   30   35   37   39   41 
LCS_GDT     Q    64_A     Q    64_A      3    6   23      3    3    4    4    7    8   10   12   14   15   17   20   24   25   29   32   35   37   39   41 
LCS_GDT     N    65_A     N    65_A      5    6   23      4    5   10   11   13   14   17   21   21   24   24   24   26   28   29   32   35   36   38   39 
LCS_GDT     L    66_A     L    66_A      5    6   23      4    6   10   11   13   14   17   21   21   24   24   24   26   28   29   32   35   36   38   39 
LCS_GDT     G    67_A     G    67_A      5    6   23      4    5    5   10   12   14   16   17   18   20   23   24   26   28   29   32   35   37   39   41 
LCS_GDT     K    68_A     K    68_A      5    6   23      4    5   10   11   13   14   16   17   20   24   24   24   26   28   29   32   35   37   39   41 
LCS_GDT     F    69_A     F    69_A      5    6   23      3    5    5    5   10   12   15   17   20   24   24   24   26   28   29   32   35   37   39   41 
LCS_GDT     A    70_A     A    70_A      3    5   23      3    3    5    7    9   12   12   14   16   20   23   24   25   27   29   32   35   37   39   41 
LCS_GDT     V    71_A     V    71_A      3    5   23      3    3    6    9   10   12   15   16   18   20   23   24   26   28   29   32   35   37   39   41 
LCS_GDT     D    72_A     D    72_A      5    5   23      4    4    5    7    7   11   12   13   15   18   19   22   24   27   29   31   33   37   39   41 
LCS_GDT     E    73_A     E    73_A      5    5   23      4    4    5    5    6    9    9   11   14   15   17   19   22   23   28   28   33   37   39   41 
LCS_GDT     E    74_A     E    74_A      5    5   23      4    4    5    5    5    9    9   11   15   18   20   22   24   25   28   28   33   37   39   41 
LCS_GDT     N    75_A     N    75_A      5    5   23      4    4    6    9   10   11   12   14   16   18   20   22   24   25   28   28   33   37   39   41 
LCS_GDT     K    76_A     K    76_A      5    5   23      3    4    5    5    7    8   10   12   14   15   17   19   22   23   28   28   33   37   39   41 
LCS_GDT     I    77_A     I    77_A      4    5   20      3    4    4    5    6    7   11   12   13   15   17   19   20   23   28   28   33   37   39   41 
LCS_GDT     G    78_A     G    78_A      4    5   23      3    4    4    5    6    6    7    8   10   20   20   22   24   27   29   31   33   35   37   38 
LCS_GDT     Q    79_A     Q    79_A      4    5   23      3    4    9   10   11   14   16   17   17   20   23   24   25   27   29   32   35   36   38   39 
LCS_GDT     Y    80_A     Y    80_A      4    5   23      3    4    4    5    6    9   11   14   17   19   20   22   26   28   29   32   35   36   38   39 
LCS_GDT     G    81_A     G    81_A      4   11   23      3    4    4    7    9   12   14   16   20   24   24   24   26   28   29   32   35   36   38   39 
LCS_GDT     R    82_A     R    82_A      8   19   23      4    6    9   11   14   17   19   21   21   24   24   24   26   28   29   31   35   36   38   39 
LCS_GDT     L    83_A     L    83_A      8   19   23      4    6    9   13   16   17   19   21   21   24   24   24   26   28   29   32   35   36   38   39 
LCS_GDT     T    84_A     T    84_A      8   19   23      4    6   10   14   16   17   19   21   21   24   24   24   26   28   29   32   35   36   38   39 
LCS_GDT     F    85_A     F    85_A      8   19   23      4    7   10   14   16   17   19   21   21   24   24   24   26   28   29   32   35   36   38   39 
LCS_GDT     N    86_A     N    86_A      8   19   23      3    5    9   14   16   17   19   21   21   24   24   24   26   28   29   32   35   36   38   39 
LCS_GDT     K    87_A     K    87_A      8   19   23      4    6    9   12   16   17   19   21   21   24   24   24   26   28   29   32   35   36   38   39 
LCS_GDT     V    88_A     V    88_A      8   19   23      4    6    9   14   16   17   19   21   21   24   24   24   26   28   29   32   35   36   38   40 
LCS_GDT     I    89_A     I    89_A      8   19   23      4    7   10   14   16   17   19   21   21   24   24   24   26   28   29   32   35   36   38   39 
LCS_GDT     R    90_A     R    90_A      5   19   23      4    5    5    8   10   17   19   21   21   24   24   24   26   28   29   32   37   38   43   44 
LCS_GDT     P    91_A     P    91_A      5   19   23      3    5   10   14   16   17   19   21   22   25   29   34   39   40   42   42   44   44   45   46 
LCS_GDT     C    92_A     C    92_A      9   19   23      3    8   10   11   13   17   19   21   23   31   35   37   39   40   42   43   44   44   44   46 
LCS_GDT     M    93_A     M    93_A      9   19   23      5    8   10   14   16   17   19   21   21   24   24   24   42   42   43   43   44   44   46   46 
LCS_GDT     K    94_A     K    94_A      9   19   23      5    8   10   14   16   17   19   21   21   24   24   24   26   28   29   32   35   36   38   39 
LCS_GDT     K    95_A     K    95_A      9   19   23      5    8   10   14   16   17   19   21   21   24   24   24   26   28   29   32   35   36   38   39 
LCS_GDT     T    96_A     T    96_A      9   19   23      5    8   10   14   16   17   19   21   21   24   24   24   26   28   29   32   35   36   38   39 
LCS_GDT     I    97_A     I    97_A      9   19   23      5    8   10   14   16   17   19   21   21   24   24   24   26   28   29   32   35   36   38   39 
LCS_GDT     Y    98_A     Y    98_A      9   19   23      5    8   10   14   16   17   19   21   21   24   24   24   26   28   29   32   35   36   38   39 
LCS_GDT     E    99_A     E    99_A      9   19   23      4    8   10   14   16   17   19   21   21   24   24   24   26   28   29   32   35   36   38   39 
LCS_GDT     N   100_A     N   100_A      9   19   23      3    8   10   14   16   17   19   21   21   24   24   24   26   28   29   32   35   36   38   39 
LCS_AVERAGE  LCS_A:  21.10  (  10.42   17.26   35.64 )

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     10     18     21     25     31     35     36     37     38     39     41     42     43     44     45     45     46     46     46     46 
GDT PERCENT_AT  10.31  18.56  21.65  25.77  31.96  36.08  37.11  38.14  39.18  40.21  42.27  43.30  44.33  45.36  46.39  46.39  47.42  47.42  47.42  47.42
GDT RMS_LOCAL    0.29   0.73   0.78   1.05   1.53   1.84   1.90   2.02   2.21   2.33   2.69   2.88   3.43   3.42   3.74   3.74   4.32   4.32   4.07   4.32
GDT RMS_ALL_AT  25.02  25.08  25.11  25.15  25.10  25.06  25.02  24.99  25.03  24.99  24.86  24.92  24.98  25.02  24.98  24.98  24.91  24.91  24.91  24.91

# Checking swapping
#   possible swapping detected:  E     9_A      E     9_A
#   possible swapping detected:  E    27_A      E    27_A
#   possible swapping detected:  D    28_A      D    28_A
#   possible swapping detected:  E    53_A      E    53_A
#   possible swapping detected:  D    58_A      D    58_A
#   possible swapping detected:  F    62_A      F    62_A
#   possible swapping detected:  F    69_A      F    69_A
#   possible swapping detected:  D    72_A      D    72_A
#   possible swapping detected:  E    73_A      E    73_A
#   possible swapping detected:  F    85_A      F    85_A
#   possible swapping detected:  Y    98_A      Y    98_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     4_A      E     4_A     3.026     4    0.103   0.121     4.280   59.167   30.423
LGA    I     5_A      I     5_A     1.587     0    0.054   0.093     2.130   70.833   77.262
LGA    K     6_A      K     6_A     1.487     0    0.079   1.163     5.324   79.286   69.735
LGA    G     7_A      G     7_A     0.752     0    0.070   0.070     0.803   95.238   95.238
LGA    Y     8_A      Y     8_A     0.869     0    0.069   0.160     1.409   85.952   88.214
LGA    E     9_A      E     9_A     1.434     0    0.053   0.241     2.636   77.143   71.217
LGA    Y    10_A      Y    10_A     1.798     0    0.069   0.078     2.178   70.833   75.040
LGA    Q    11_A      Q    11_A     2.011     0    0.066   0.885     4.510   68.810   61.217
LGA    L    12_A      L    12_A     1.427     0    0.014   0.974     3.227   79.286   76.429
LGA    Y    13_A      Y    13_A     1.463     0    0.068   0.173     2.767   77.143   70.317
LGA    V    14_A      V    14_A     1.309     0    0.027   1.239     3.124   83.690   78.231
LGA    Y    15_A      Y    15_A     1.239     0    0.049   0.080     1.951   77.143   81.508
LGA    A    16_A      A    16_A     1.968     0    0.088   0.092     2.540   75.000   71.429
LGA    S    17_A      S    17_A     1.885     0    0.610   0.647     2.946   68.929   65.000
LGA    D    18_A      D    18_A     2.488     0    0.088   0.986     6.500   66.905   47.679
LGA    K    19_A      K    19_A     1.299     0    0.080   0.740     3.893   81.548   69.206
LGA    L    20_A      L    20_A     0.700     0    0.029   0.091     1.083   90.476   89.345
LGA    F    21_A      F    21_A     0.653     0    0.047   0.159     1.198   90.476   89.697
LGA    R    22_A      R    22_A     1.121     0    0.028   0.630     3.795   83.690   69.913
LGA    A    23_A      A    23_A     0.899     0    0.048   0.074     1.359   85.952   86.857
LGA    D    24_A      D    24_A     1.775     0    0.019   0.147     2.866   75.000   67.024
LGA    I    25_A      I    25_A     1.644     0    0.058   0.207     1.936   75.000   75.000
LGA    S    26_A      S    26_A     1.178     0    0.060   0.642     2.673   85.952   78.968
LGA    E    27_A      E    27_A     0.326     0    0.049   0.423     3.141   92.857   83.069
LGA    D    28_A      D    28_A     2.585     0    0.018   0.687     5.211   55.833   43.690
LGA    Y    29_A      Y    29_A     4.380     0    0.059   1.258     6.957   30.476   35.476
LGA    K    30_A      K    30_A     7.709     0    0.060   0.643     9.843    7.381    4.709
LGA    T    31_A      T    31_A     7.061     0    0.136   0.137     7.886   13.452   16.463
LGA    R    32_A      R    32_A     6.607     0    0.133   1.101    18.869   20.833    7.835
LGA    G    33_A      G    33_A     2.245     0    0.640   0.640     2.808   60.952   60.952
LGA    R    34_A      R    34_A     3.190     0    0.044   0.382    15.741   53.810   22.900
LGA    K    35_A      K    35_A     3.345     0    0.040   0.947    14.923   51.905   25.979
LGA    L    36_A      L    36_A     2.854     0    0.059   1.396     8.512   47.143   29.702
LGA    L    37_A      L    37_A     4.788     0    0.610   1.420    10.269   40.476   22.857
LGA    R    38_A      R    38_A     2.250     0    0.127   0.751     5.617   71.190   49.524
LGA    F    39_A      F    39_A     0.982     0    0.106   1.009     2.784   75.476   71.169
LGA    N    40_A      N    40_A     2.549     0    0.420   0.810     4.525   62.976   51.726
LGA    G    41_A      G    41_A     2.411     0    0.037   0.037     4.149   57.857   57.857
LGA    P    42_A      P    42_A     1.468     0    0.056   0.390     3.105   75.119   68.639
LGA    V    43_A      V    43_A     0.433     0    0.130   1.129     4.173   86.190   77.891
LGA    P    44_A      P    44_A     3.560     0    0.023   0.248     4.141   47.143   51.905
LGA    P    45_A      P    45_A     6.552     0    0.032   0.086     7.798   16.548   13.946
LGA    P    46_A      P    46_A     8.283     0    0.095   0.119    10.895    3.095    2.313
LGA    G    47_A      G    47_A    11.232     0    0.685   0.685    11.642    0.119    0.119
LGA    G    48_A      G    48_A    13.464     0    0.541   0.541    15.074    0.000    0.000
LGA    S    49_A      S    49_A    19.535     0    0.251   0.588    22.249    0.000    0.000
LGA    G    50_A      G    50_A    22.520     0    0.315   0.315    23.144    0.000    0.000
LGA    G    51_A      G    51_A    26.368     0    0.356   0.356    29.089    0.000    0.000
LGA    G    52_A      G    52_A    27.235     0    0.132   0.132    27.235    0.000    0.000
LGA    E    53_A      E    53_A    28.765     0    0.023   0.650    36.230    0.000    0.000
LGA    W    54_A      W    54_A    24.304     0    0.154   0.206    26.833    0.000    0.000
LGA    E    55_A      E    55_A    26.942     0    0.116   1.061    32.397    0.000    0.000
LGA    I    56_A      I    56_A    25.115     0    0.073   0.638    29.534    0.000    0.000
LGA    I    57_A      I    57_A    29.667     0    0.164   1.117    32.091    0.000    0.000
LGA    D    58_A      D    58_A    31.610     0    0.194   1.179    33.733    0.000    0.000
LGA    I    59_A      I    59_A    32.496     0    0.180   0.211    35.442    0.000    0.000
LGA    G    60_A      G    60_A    38.041     0    0.029   0.029    38.310    0.000    0.000
LGA    P    61_A      P    61_A    41.241     0    0.625   0.790    44.648    0.000    0.000
LGA    F    62_A      F    62_A    38.983     0    0.597   1.371    39.461    0.000    0.000
LGA    T    63_A      T    63_A    37.621     0    0.639   1.386    38.156    0.000    0.000
LGA    Q    64_A      Q    64_A    37.431     0    0.184   0.959    38.923    0.000    0.000
LGA    N    65_A      N    65_A    40.070     0    0.431   0.382    45.977    0.000    0.000
LGA    L    66_A      L    66_A    33.848     0    0.121   0.099    35.756    0.000    0.000
LGA    G    67_A      G    67_A    34.688     0    0.093   0.093    37.002    0.000    0.000
LGA    K    68_A      K    68_A    40.839     0    0.509   1.321    50.930    0.000    0.000
LGA    F    69_A      F    69_A    39.309     0    0.618   1.455    40.590    0.000    0.000
LGA    A    70_A      A    70_A    39.278     0    0.377   0.356    39.750    0.000    0.000
LGA    V    71_A      V    71_A    39.751     0    0.590   0.596    43.021    0.000    0.000
LGA    D    72_A      D    72_A    46.266     0    0.620   1.329    50.599    0.000    0.000
LGA    E    73_A      E    73_A    43.773     0    0.082   0.996    45.524    0.000    0.000
LGA    E    74_A      E    74_A    43.884     0    0.085   1.368    46.474    0.000    0.000
LGA    N    75_A      N    75_A    44.949     0    0.083   0.295    49.584    0.000    0.000
LGA    K    76_A      K    76_A    42.461     0    0.231   0.237    43.388    0.000    0.000
LGA    I    77_A      I    77_A    39.018     0    0.600   0.580    41.117    0.000    0.000
LGA    G    78_A      G    78_A    39.291     0    0.557   0.557    39.291    0.000    0.000
LGA    Q    79_A      Q    79_A    35.595     0    0.648   1.086    37.163    0.000    0.000
LGA    Y    80_A      Y    80_A    33.983     0    0.469   0.686    34.468    0.000    0.000
LGA    G    81_A      G    81_A    37.106     0    0.132   0.132    38.009    0.000    0.000
LGA    R    82_A      R    82_A    37.796     0    0.616   1.095    44.378    0.000    0.000
LGA    L    83_A      L    83_A    34.760     0    0.085   0.088    38.398    0.000    0.000
LGA    T    84_A      T    84_A    38.795     0    0.030   0.130    42.675    0.000    0.000
LGA    F    85_A      F    85_A    36.201     0    0.023   1.426    39.880    0.000    0.000
LGA    N    86_A      N    86_A    37.848     0    0.288   0.992    39.158    0.000    0.000
LGA    K    87_A      K    87_A    33.994     0    0.124   0.695    35.519    0.000    0.000
LGA    V    88_A      V    88_A    28.175     0    0.048   0.050    30.787    0.000    0.000
LGA    I    89_A      I    89_A    24.116     0    0.146   1.129    25.023    0.000    0.000
LGA    R    90_A      R    90_A    19.286     0    0.226   0.894    28.633    0.000    0.000
LGA    P    91_A      P    91_A    13.276     0    0.113   0.320    14.790    0.000    0.000
LGA    C    92_A      C    92_A    14.380     0    0.385   0.357    18.551    0.000    0.000
LGA    M    93_A      M    93_A     9.731     0    0.184   0.827    13.416    0.119   14.048
LGA    K    94_A      K    94_A    15.304     0    0.053   0.104    25.233    0.000    0.000
LGA    K    95_A      K    95_A    17.831     0    0.024   0.947    22.196    0.000    0.000
LGA    T    96_A      T    96_A    24.028     0    0.016   0.104    26.736    0.000    0.000
LGA    I    97_A      I    97_A    30.015     0    0.017   0.363    33.514    0.000    0.000
LGA    Y    98_A      Y    98_A    34.935     0    0.025   1.198    37.433    0.000    0.000
LGA    E    99_A      E    99_A    42.216     0    0.037   0.955    50.181    0.000    0.000
LGA    N   100_A      N   100_A    45.068     0    0.271   0.390    49.310    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       97     388    388  100.00     780    780  100.00                97
SUMMARY(RMSD_GDC):    15.283         15.293                 15.973           28.602   25.750

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   97    4.0     37    2.02    32.216    30.120     1.743

LGA_LOCAL      RMSD:   2.023  Number of atoms:   37  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.986  Number of assigned atoms:   97 
Std_ASGN_ATOMS RMSD:  15.283  Standard rmsd on all 97 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.734668 * X  +  -0.383863 * Y  +  -0.559385 * Z  +  20.294924
  Y_new =   0.099575 * X  +   0.754592 * Y  +  -0.648595 * Z  +  15.616451
  Z_new =   0.671079 * X  +  -0.532203 * Y  +  -0.516152 * Z  +  47.694592 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  3.006876 -0.735664 -2.340885   [DEG:  172.2813  -42.1504 -134.1228 ]
ZXZ: -0.711682  2.113148  2.241288   [DEG:  -40.7764  121.0745  128.4164 ]
 
# END of job
