
#######################################################
#                                                     #
#                        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   94 (  742),  selected   94 , name one
# Molecule2: number of CA atoms  198 ( 1543),  selected   94 , 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:    19     108_A - 126_A       4.90    27.10
  LCS_AVERAGE:      8.25

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:     9      61_A - 69_A        1.80    27.34
  LONGEST_CONTINUOUS_SEGMENT:     9      62_A - 70_A        1.70    26.33
  LCS_AVERAGE:      3.30

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:     6      53_A - 58_A        0.96    34.35
  LONGEST_CONTINUOUS_SEGMENT:     6      62_A - 67_A        0.99    27.61
  LONGEST_CONTINUOUS_SEGMENT:     6      64_A - 69_A        0.74    27.73
  LONGEST_CONTINUOUS_SEGMENT:     6      91_A - 96_A        0.96    28.56
  LCS_AVERAGE:      2.20

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   94
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     Y    46_A     Y    46_A      3    3    9      0    3    7    9    9   10   12   13   14   15   15   17   18   20   20   22   24   25   27   28 
LCS_GDT     A    47_A     A    47_A      3    3   17      1    3    4    4    4   10   12   13   14   15   15   17   18   20   20   22   24   25   27   29 
LCS_GDT     E    48_A     E    48_A      3    4   18      0    3    4    4    6    7    8   10   10   14   15   16   18   19   20   22   24   25   27   29 
LCS_GDT     T    49_A     T    49_A      4    4   18      4    4    4    4    6    7    9   11   12   14   15   16   17   19   20   22   24   25   27   29 
LCS_GDT     F    50_A     F    50_A      4    4   18      4    4    4    4    4    5    8   10   12   13   13   14   14   17   19   22   23   25   26   29 
LCS_GDT     K    51_A     K    51_A      4    4   18      4    4    4    4    4    5    7   10   12   13   13   14   15   18   19   22   23   25   26   28 
LCS_GDT     K    52_A     K    52_A      4    7   18      4    4    4    4    6    9   10   11   12   13   13   15   16   18   19   22   23   25   26   29 
LCS_GDT     G    53_A     G    53_A      6    8   18      3    4    6    6    8    9   10   11   12   13   13   16   17   18   19   22   23   25   27   29 
LCS_GDT     V    54_A     V    54_A      6    8   18      3    4    6    6    8    9   10   11   12   13   13   16   17   18   19   19   21   24   27   29 
LCS_GDT     F    55_A     F    55_A      6    8   18      3    4    6    6    8    9   10   11   12   13   13   16   17   18   19   21   22   25   27   29 
LCS_GDT     P    56_A     P    56_A      6    8   18      3    4    6    6    8    9   10   11   12   14   15   16   18   18   20   22   24   25   27   29 
LCS_GDT     N    57_A     N    57_A      6    8   18      3    4    6    6    8    9   10   11   12   14   15   16   18   18   19   21   22   24   27   29 
LCS_GDT     N    58_A     N    58_A      6    8   18      3    4    6    6    8    9   11   13   14   15   15   16   18   19   20   22   24   25   27   29 
LCS_GDT     K    59_A     K    59_A      4    8   18      3    3    5    7    8   10   12   13   14   15   15   17   18   20   20   22   24   25   27   29 
LCS_GDT     R    60_A     R    60_A      3    8   18      3    5    7    8    8   10   12   13   14   15   15   17   18   20   20   22   24   25   27   29 
LCS_GDT     E    61_A     E    61_A      3    9   18      3    3    3    3    4    7   10   13   13   15   15   16   18   20   20   22   24   25   27   29 
LCS_GDT     K    62_A     K    62_A      6    9   18      4    4    6    9    9   10   12   13   14   15   15   17   18   20   20   22   24   25   27   29 
LCS_GDT     S    63_A     S    63_A      6    9   18      4    4    6    9    9   10   12   13   14   15   15   17   18   20   20   22   24   25   27   29 
LCS_GDT     D    64_A     D    64_A      6    9   18      4    5    7    9    9   10   12   13   14   15   15   17   18   20   20   22   24   25   27   29 
LCS_GDT     I    65_A     I    65_A      6    9   18      4    5    7    9    9   10   12   13   14   15   15   17   18   20   20   22   24   25   27   29 
LCS_GDT     L    66_A     L    66_A      6    9   18      4    5    7    9    9   10   12   13   14   15   15   17   18   20   20   22   24   25   27   29 
LCS_GDT     V    67_A     V    67_A      6    9   18      3    5    7    9    9   10   12   13   14   15   15   17   18   20   20   22   24   25   27   29 
LCS_GDT     F    68_A     F    68_A      6    9   18      4    5    7    9    9   10   12   13   14   15   15   17   18   20   20   22   24   25   27   29 
LCS_GDT     H    69_A     H    69_A      6    9   18      4    5    7    9    9   10   12   13   14   15   15   17   18   20   20   22   24   25   27   29 
LCS_GDT     N    70_A     N    70_A      3    9   18      3    3    4    7    9   10   12   13   14   15   15   17   18   20   20   22   24   25   27   29 
LCS_GDT     G    71_A     G    71_A      4    5   18      3    3    6    7    8    8   10   12   14   14   15   17   18   20   20   22   24   30   30   30 
LCS_GDT     E    72_A     E    72_A      4    5   18      1    3    4    4    4    7   10   10   11   13   14   16   18   20   20   26   28   30   30   30 
LCS_GDT     V    73_A     V    73_A      5    8   18      4    5    5    6    8    8    8   11   12   14   15   19   20   24   28   28   28   30   30   30 
LCS_GDT     K    74_A     K    74_A      5    8   18      4    5    5    6    8    8    8    9   11   13   14   16   20   24   28   28   28   30   30   30 
LCS_GDT     T    75_A     T    75_A      5    8   17      4    5    5    6    8    8    8    9    9   12   17   19   22   24   28   28   28   30   30   30 
LCS_GDT     E    76_A     E    76_A      5    8   14      4    5    5    6    8    8    8    9    9   12   17   19   22   24   28   28   28   30   30   30 
LCS_GDT     T    77_A     T    77_A      5    8   14      3    5    5    6    8    8    8    9    9   12   17   19   22   24   28   28   28   30   30   30 
LCS_GDT     N    78_A     N    78_A      4    8   14      3    3    5    6    8    8    8    9   11   12   18   19   22   24   28   28   28   30   30   30 
LCS_GDT     H    79_A     H    79_A      4    8   14      3    3    5    6    8    8    8    9   11   15   18   19   22   24   28   28   28   30   30   30 
LCS_GDT     S    80_A     S    80_A      5    8   14      4    5    5    6    8    8    8    9   11   15   18   19   22   24   28   28   28   30   30   30 
LCS_GDT     S    81_A     S    81_A      5    6   14      4    5    5    5    5    7    8    9    9   12   13   19   22   24   28   28   28   30   30   30 
LCS_GDT     Y    82_A     Y    82_A      5    6   14      4    5    6    7    8    8   10   10   11   12   12   16   19   23   28   28   28   30   30   30 
LCS_GDT     Q    83_A     Q    83_A      5    6   12      4    5    5    5    5    6    8   10   12   13   13   14   14   18   19   22   23   25   26   26 
LCS_GDT     I    84_A     I    84_A      5    7   13      3    5    5    5    5    7    8    9   12   13   13   14   14   16   17   18   20   23   25   26 
LCS_GDT     N    85_A     N    85_A      3    8   13      3    3    5    6    7    8    8    9   10   10   12   12   14   15   17   17   20   22   24   26 
LCS_GDT     W    86_A     W    86_A      5    8   14      3    5    5    6    7    8    8    9   10   10   12   13   14   15   17   19   20   22   24   26 
LCS_GDT     P    87_A     P    87_A      5    8   14      3    5    5    6    7    8    8    9   10   10   12   13   13   14   17   19   20   21   24   26 
LCS_GDT     G    88_A     G    88_A      5    8   14      3    5    5    6    7    8    8    9   10   13   14   17   18   20   20   22   24   25   27   29 
LCS_GDT     E    89_A     E    89_A      5    8   14      3    5    5    6    7    8    8   11   12   13   14   17   18   20   20   22   24   25   27   29 
LCS_GDT     V    90_A     V    90_A      5    8   14      3    5    5    6    7    8   10   11   11   13   14   16   17   18   20   21   23   24   27   29 
LCS_GDT     T    91_A     T    91_A      6    8   14      4    5    5    6    7    8   10   11   11   13   14   16   17   18   20   21   23   24   27   29 
LCS_GDT     M    92_A     M    92_A      6    8   14      4    5    5    6    7    8    8    9   10   12   12   16   17   17   20   21   21   22   25   29 
LCS_GDT     K    93_A     K    93_A      6    7   14      4    5    5    6    7    8    8    9   10   12   12   13   14   14   16   19   20   22   23   27 
LCS_GDT     L    94_A     L    94_A      6    7   14      4    5    5    6    7    8    8    9   10   12   12   13   17   17   20   21   21   22   23   27 
LCS_GDT     G    95_A     G    95_A      6    7   14      4    5    5    6    7    8    8    9   10   10   10   13   13   14   16   16   19   22   22   27 
LCS_GDT     Y    96_A     Y    96_A      6    7   14      3    4    5    6    7    8    8    9   10   10   10   13   13   14   16   16   18   20   22   23 
LCS_GDT     G    97_A     G    97_A      4    7   14      3    3    5    6    6    8    8    9   10   10   10   13   13   14   14   16   17   20   22   23 
LCS_GDT     D    98_A     D    98_A      4    7   14      3    3    5    6    6    7    7    8   10   10   10   13   13   15   16   16   19   22   23   26 
LCS_GDT     G    99_A     G    99_A      4    7   14      3    4    5    6    6    7    7    8   10   10   10   13   13   16   17   18   20   22   25   26 
LCS_GDT     L   100_A     L   100_A      4    7   12      3    4    5    6    6    7    8   10   12   13   13   14   14   18   19   22   23   25   26   27 
LCS_GDT     V   101_A     V   101_A      3    7   12      3    3    3    4    5    7    8   10   12   13   13   14   14   17   19   20   23   24   26   27 
LCS_GDT     I   102_A     I   102_A      3    4   12      2    3    3    5    5    6    8   10   12   13   13   14   15   18   19   22   23   25   26   27 
LCS_GDT     K   103_A     K   103_A      3    4   12      3    3    3    5    5    6    8   10   12   13   13   14   15   18   19   22   23   25   26   26 
LCS_GDT     D   104_A     D   104_A      3    4   12      3    3    3    5    5    6    7   10   12   13   13   14   15   18   19   22   23   25   26   26 
LCS_GDT     L   105_A     L   105_A      3    4   12      3    3    3    5    5    6    6    7   10   13   13   14   15   18   19   22   23   25   26   28 
LCS_GDT     N   106_A     N   106_A      3    3   12      0    3    3    4    4    4    6    7   12   13   13   14   15   18   19   22   23   25   26   28 
LCS_GDT     L   107_A     L   107_A      3    3   12      0    3    3    4    4    4    5    6    8   10   11   13   15   18   19   22   23   25   26   28 
LCS_GDT     M   108_A     M   108_A      3    3   19      0    3    3    3    4    4    5    6    8   10   12   14   20   23   28   28   28   30   30   30 
LCS_GDT     L   109_A     L   109_A      3    5   19      1    3    5    7    8    8   10   10   11   15   18   19   22   24   28   28   28   30   30   30 
LCS_GDT     K   110_A     K   110_A      4    5   19      3    4    6    7    8    8   10   10   11   15   18   19   22   24   28   28   28   30   30   30 
LCS_GDT     N   111_A     N   111_A      4    6   19      3    4    6    7    8    8   10   10   11   15   18   19   22   24   28   28   28   30   30   30 
LCS_GDT     G   112_A     G   112_A      4    6   19      3    4    6    7    8    8   10   10   11   15   18   19   22   24   28   28   28   30   30   30 
LCS_GDT     N   113_A     N   113_A      4    7   19      3    4    6    7    8    8   10   10   11   15   18   19   20   24   28   28   28   30   30   30 
LCS_GDT     M   114_A     M   114_A      4    7   19      3    3    4    5    6    8   10   10   11   13   18   19   19   24   28   28   28   30   30   30 
LCS_GDT     G   115_A     G   115_A      5    7   19      3    4    5    5    7    8    8   10   11   15   18   19   22   24   28   28   28   30   30   30 
LCS_GDT     E   116_A     E   116_A      5    7   19      3    4    5    5    7    8    8    9   11   13   16   19   22   24   28   28   28   30   30   30 
LCS_GDT     L   117_A     L   117_A      5    7   19      3    4    5    5    7    8    8   10   11   15   18   19   22   24   28   28   28   30   30   30 
LCS_GDT     K   118_A     K   118_A      5    7   19      3    4    5    5    7    8    8   10   11   15   18   19   22   24   28   28   28   30   30   30 
LCS_GDT     A   119_A     A   119_A      5    7   19      3    4    5    5    7    8    8   10   11   15   18   19   22   24   28   28   28   30   30   30 
LCS_GDT     T   120_A     T   120_A      3    6   19      1    4    4    4    6    6    8   10   11   15   18   19   22   24   28   28   28   30   30   30 
LCS_GDT     V   121_A     V   121_A      3    5   19      0    4    4    5    5    6    8   10   11   15   18   19   22   24   28   28   28   30   30   30 
LCS_GDT     G   122_A     G   122_A      3    5   19      3    3    4    4    5    6    8   10   11   13   13   19   22   24   28   28   28   30   30   30 
LCS_GDT     E   123_A     E   123_A      3    5   19      3    3    4    4    5    5    8   10   11   15   18   19   22   24   28   28   28   30   30   30 
LCS_GDT     N   124_A     N   124_A      4    6   19      3    4    5    5    5    7    8   10   11   15   18   19   22   24   28   28   28   30   30   30 
LCS_GDT     S   125_A     S   125_A      4    6   19      3    3    5    5    5    7    8   10   11   15   18   19   22   24   28   28   28   30   30   30 
LCS_GDT     N   126_A     N   126_A      4    6   19      3    3    5    5    5    7    8   10   11   13   14   16   18   20   22   25   26   28   29   29 
LCS_GDT     I   127_A     I   127_A      4    6   17      3    3    5    5    6    7    8   10   11   13   14   16   17   19   20   20   22   24   26   29 
LCS_GDT     T   128_A     T   128_A      4    6   17      3    3    4    5    6    7    8   10   11   13   14   16   17   19   20   20   20   21   22   24 
LCS_GDT     L   129_A     L   129_A      4    6   17      3    3    5    5    6    7    8   10   11   13   14   16   17   19   20   20   20   21   21   21 
LCS_GDT     F   130_A     F   130_A      4    6   17      3    4    5    5    6    7    8   10   11   13   14   16   17   19   20   20   20   21   21   21 
LCS_GDT     D   131_A     D   131_A      4    6   17      3    4    5    5    6    7    8   10   11   13   14   16   17   19   20   20   20   21   21   21 
LCS_GDT     V   132_A     V   132_A      4    6   17      3    4    5    5    6    7    8   10   10   13   14   16   17   19   20   20   20   21   21   21 
LCS_GDT     Q   133_A     Q   133_A      4    6   17      3    4    4    4    5    7    8   10   10   13   14   16   17   19   20   20   20   21   21   21 
LCS_GDT     E   134_A     E   134_A      3    6   17      3    3    5    5    6    7    8   10   10   11   14   16   17   19   20   20   20   21   21   21 
LCS_GDT     Y   135_A     Y   135_A      3    6   17      0    3    5    5    5    7    8   10   10   11   14   16   17   19   20   20   20   21   21   21 
LCS_GDT     S   136_A     S   136_A      3    4   17      0    3    3    3    4    4    7    8    8   11   14   16   17   19   20   20   20   21   21   21 
LCS_GDT     V   137_A     V   137_A      3    4   16      3    3    3    3    4    4    5    8    8   11   14   16   17   19   20   20   20   21   21   21 
LCS_GDT     S   138_A     S   138_A      3    4   16      3    3    3    3    4    4    5    5    8   11   14   16   17   19   20   20   20   21   21   21 
LCS_GDT     D   139_A     D   139_A      3    4   16      3    3    3    3    4    4    5    5    6   11   14   16   17   19   20   20   20   21   21   21 
LCS_AVERAGE  LCS_A:   4.58  (   2.20    3.30    8.25 )

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      4      5      7      9      9     10     12     13     14     15     18     19     22     24     28     28     28     30     30     30 
GDT PERCENT_AT   2.02   2.53   3.54   4.55   4.55   5.05   6.06   6.57   7.07   7.58   9.09   9.60  11.11  12.12  14.14  14.14  14.14  15.15  15.15  15.15
GDT RMS_LOCAL    0.11   0.44   0.98   1.38   1.38   1.80   2.34   2.54   2.77   2.97   4.27   4.37   4.79   5.02   5.47   5.47   5.47   6.15   6.15   6.15
GDT RMS_ALL_AT  26.37  28.74  27.40  25.56  25.56  24.92  24.50  24.52  24.79  24.95  28.15  28.14  27.43  27.31  27.19  27.19  27.19  26.75  26.75  26.75

# Checking swapping
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  D   131_A      D   131_A
#   possible swapping detected:  Y   135_A      Y   135_A
#   possible swapping detected:  D   139_A      D   139_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Y    46_A      Y    46_A     2.546     0    0.564   1.238     8.723   54.643   38.651
LGA    A    47_A      A    47_A     3.868     0    0.635   0.600     8.150   30.595   34.476
LGA    E    48_A      E    48_A     8.977     0    0.610   1.103    11.221    4.048    2.434
LGA    T    49_A      T    49_A    12.698     0    0.624   0.635    15.667    0.000    0.000
LGA    F    50_A      F    50_A    17.440     0    0.065   1.301    24.269    0.000    0.000
LGA    K    51_A      K    51_A    20.034     0    0.096   1.255    23.959    0.000    0.000
LGA    K    52_A      K    52_A    18.513     0    0.633   1.313    23.929    0.000    0.000
LGA    G    53_A      G    53_A    15.420     0    0.098   0.098    15.948    0.000    0.000
LGA    V    54_A      V    54_A    13.269     0    0.055   0.123    13.920    0.000    0.000
LGA    F    55_A      F    55_A    11.512     0    0.154   1.367    14.635    0.000    0.000
LGA    P    56_A      P    56_A     7.754     0    0.652   0.819     9.023    5.476    5.918
LGA    N    57_A      N    57_A     7.974     0    0.164   1.083    13.093   10.238    5.298
LGA    N    58_A      N    58_A     5.145     0    0.122   1.235     6.173   27.976   24.167
LGA    K    59_A      K    59_A     2.754     0    0.629   0.982     8.507   65.000   41.534
LGA    R    60_A      R    60_A     2.462     0    0.608   1.257    10.467   62.857   31.775
LGA    E    61_A      E    61_A     5.716     0    0.004   1.289    11.843   31.786   14.656
LGA    K    62_A      K    62_A     3.247     0    0.468   1.003     8.253   64.167   37.672
LGA    S    63_A      S    63_A     2.974     0    0.034   0.700     5.094   61.190   49.524
LGA    D    64_A      D    64_A     1.003     0    0.062   0.119     5.491   79.524   59.345
LGA    I    65_A      I    65_A     0.714     0    0.172   1.165     5.940   90.833   65.536
LGA    L    66_A      L    66_A     2.141     0    0.043   1.066     7.794   72.976   47.976
LGA    V    67_A      V    67_A     0.748     0    0.071   1.256     4.671   75.833   62.109
LGA    F    68_A      F    68_A     2.138     0    0.240   1.041     5.707   75.119   46.753
LGA    H    69_A      H    69_A     2.015     0    0.521   0.947     8.841   56.548   36.857
LGA    N    70_A      N    70_A     3.738     0    0.495   0.945     7.378   41.429   32.202
LGA    G    71_A      G    71_A     5.885     0    0.644   0.644     9.604   15.119   15.119
LGA    E    72_A      E    72_A     9.298     0    0.579   0.906    10.480    3.571    1.693
LGA    V    73_A      V    73_A     7.205     0    0.455   1.099    10.303    5.000    4.490
LGA    K    74_A      K    74_A    10.388     0    0.227   0.653    12.021    0.714    0.423
LGA    T    75_A      T    75_A    13.514     0    0.061   1.138    15.766    0.000    0.000
LGA    E    76_A      E    76_A    18.367     0    0.079   1.297    20.155    0.000    0.000
LGA    T    77_A      T    77_A    23.537     0    0.679   1.398    27.068    0.000    0.000
LGA    N    78_A      N    78_A    28.548     0    0.463   0.957    33.709    0.000    0.000
LGA    H    79_A      H    79_A    24.172     0    0.299   1.436    25.531    0.000    0.000
LGA    S    80_A      S    80_A    21.748     0    0.602   0.826    22.553    0.000    0.000
LGA    S    81_A      S    81_A    23.094     0    0.215   0.656    24.729    0.000    0.000
LGA    Y    82_A      Y    82_A    22.287     0    0.101   0.924    25.472    0.000    0.000
LGA    Q    83_A      Q    83_A    24.974     0    0.578   1.031    31.706    0.000    0.000
LGA    I    84_A      I    84_A    23.191     0    0.046   0.189    24.128    0.000    0.000
LGA    N    85_A      N    85_A    21.571     0    0.113   1.176    25.914    0.000    0.000
LGA    W    86_A      W    86_A    15.985     0    0.297   0.784    19.159    0.000    0.000
LGA    P    87_A      P    87_A    13.156     0    0.696   0.681    15.345    0.000    0.000
LGA    G    88_A      G    88_A     8.857     0    0.052   0.052     9.706    3.214    3.214
LGA    E    89_A      E    89_A     8.846     0    0.159   0.920    11.008    1.905    1.429
LGA    V    90_A      V    90_A    12.381     0    0.131   1.112    13.548    0.000    0.000
LGA    T    91_A      T    91_A    15.616     0    0.564   1.012    18.600    0.000    0.000
LGA    M    92_A      M    92_A    19.245     0    0.117   1.295    21.282    0.000    0.000
LGA    K    93_A      K    93_A    24.939     0    0.108   0.891    30.302    0.000    0.000
LGA    L    94_A      L    94_A    26.573     0    0.559   1.157    31.191    0.000    0.000
LGA    G    95_A      G    95_A    31.355     0    0.372   0.372    32.179    0.000    0.000
LGA    Y    96_A      Y    96_A    35.472     0    0.121   1.155    38.891    0.000    0.000
LGA    G    97_A      G    97_A    34.756     0    0.620   0.620    36.736    0.000    0.000
LGA    D    98_A      D    98_A    36.903     0    0.617   1.197    39.357    0.000    0.000
LGA    G    99_A      G    99_A    36.758     0    0.476   0.476    36.758    0.000    0.000
LGA    L   100_A      L   100_A    34.713     0    0.071   1.239    35.430    0.000    0.000
LGA    V   101_A      V   101_A    32.763     0    0.596   0.516    37.041    0.000    0.000
LGA    I   102_A      I   102_A    27.013     0    0.619   0.682    29.230    0.000    0.000
LGA    K   103_A      K   103_A    28.438     0    0.553   1.253    36.028    0.000    0.000
LGA    D   104_A      D   104_A    29.336     0    0.425   0.937    33.308    0.000    0.000
LGA    L   105_A      L   105_A    22.427     0    0.606   1.141    25.050    0.000    0.000
LGA    N   106_A      N   106_A    20.860     0    0.609   0.705    24.239    0.000    0.000
LGA    L   107_A      L   107_A    21.737     0    0.590   1.074    23.296    0.000    0.000
LGA    M   108_A      M   108_A    20.986     0    0.591   1.136    24.233    0.000    0.000
LGA    L   109_A      L   109_A    18.328     0    0.622   1.069    21.889    0.000    0.000
LGA    K   110_A      K   110_A    23.939     0    0.578   0.941    33.236    0.000    0.000
LGA    N   111_A      N   111_A    26.973     0    0.241   0.848    30.204    0.000    0.000
LGA    G   112_A      G   112_A    21.920     0    0.096   0.096    23.211    0.000    0.000
LGA    N   113_A      N   113_A    19.725     0    0.691   1.201    24.843    0.000    0.000
LGA    M   114_A      M   114_A    16.532     0    0.131   1.023    19.574    0.000    0.000
LGA    G   115_A      G   115_A    12.715     0    0.200   0.200    13.415    0.000    0.000
LGA    E   116_A      E   116_A    11.254     0    0.043   0.370    13.682    0.000    2.646
LGA    L   117_A      L   117_A    16.031     0    0.069   0.903    19.670    0.000    0.000
LGA    K   118_A      K   118_A    15.683     0    0.092   0.952    19.964    0.000    0.212
LGA    A   119_A      A   119_A    19.470     0    0.569   0.572    20.691    0.000    0.000
LGA    T   120_A      T   120_A    22.448     0    0.595   1.179    26.088    0.000    0.000
LGA    V   121_A      V   121_A    23.975     0    0.599   1.305    25.697    0.000    0.000
LGA    G   122_A      G   122_A    27.818     0    0.449   0.449    30.199    0.000    0.000
LGA    E   123_A      E   123_A    28.101     0    0.217   0.296    30.868    0.000    0.000
LGA    N   124_A      N   124_A    26.116     0    0.592   0.995    29.478    0.000    0.000
LGA    S   125_A      S   125_A    28.045     0    0.587   0.554    30.136    0.000    0.000
LGA    N   126_A      N   126_A    26.469     0    0.432   1.172    28.900    0.000    0.000
LGA    I   127_A      I   127_A    26.584     0    0.442   1.145    31.075    0.000    0.000
LGA    T   128_A      T   128_A    26.558     0    0.198   1.106    28.663    0.000    0.000
LGA    L   129_A      L   129_A    33.068     0    0.625   1.562    39.136    0.000    0.000
LGA    F   130_A      F   130_A    32.343     0    0.570   0.440    35.014    0.000    0.000
LGA    D   131_A      D   131_A    32.231     0    0.249   1.051    32.968    0.000    0.000
LGA    V   132_A      V   132_A    35.307     0    0.136   1.021    38.783    0.000    0.000
LGA    Q   133_A      Q   133_A    36.300     0    0.594   1.027    38.435    0.000    0.000
LGA    E   134_A      E   134_A    42.999     0    0.608   1.065    45.646    0.000    0.000
LGA    Y   135_A      Y   135_A    47.559     0    0.606   0.920    48.512    0.000    0.000
LGA    S   136_A      S   136_A    48.472     0    0.590   0.582    50.980    0.000    0.000
LGA    V   137_A      V   137_A    54.127     0    0.581   1.395    56.914    0.000    0.000
LGA    S   138_A      S   138_A    60.490     0    0.098   0.738    61.391    0.000    0.000
LGA    D   139_A      D   139_A    64.635     0    0.168   1.089    69.069    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       94     376    376  100.00     742    742  100.00               198
SUMMARY(RMSD_GDC):    21.619         21.596                 22.253            4.746    3.364

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   94  198    4.0     13    2.54     6.944     5.880     0.493

LGA_LOCAL      RMSD:   2.538  Number of atoms:   13  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:  24.517  Number of assigned atoms:   94 
Std_ASGN_ATOMS RMSD:  21.619  Standard rmsd on all 94 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.717796 * X  +  -0.254842 * Y  +  -0.647939 * Z  +  64.660118
  Y_new =   0.269600 * X  +  -0.756279 * Y  +   0.596120 * Z  +  -7.835713
  Z_new =  -0.641938 * X  +  -0.602577 * Y  +  -0.474148 * Z  + 298.932251 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.359292  0.697024 -2.237478   [DEG:   20.5859   39.9365 -128.1981 ]
ZXZ: -2.314565  2.064793 -2.324577   [DEG: -132.6148  118.3039 -133.1884 ]
 
# END of job
