
#######################################################
#                                                     #
#                        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   92 (  680),  selected   92 , name one
# Molecule2: number of CA atoms   92 (  680),  selected   92 , 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:    87       1_A - 87_A        4.99     6.50
  LONGEST_CONTINUOUS_SEGMENT:    87       2_A - 88_A        4.87     6.45
  LCS_AVERAGE:     93.32

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    72      12_A - 83_A        1.97     7.66
  LCS_AVERAGE:     64.48

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    31      50_A - 80_A        0.97     7.80
  LONGEST_CONTINUOUS_SEGMENT:    31      51_A - 81_A        0.97     7.87
  LCS_AVERAGE:     20.95

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   92
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     G     1_A     G     1_A      4    5   87      3    4    4    5    6    7    8    9    9   10   10   10   11   11   11   11   12   13   13   18 
LCS_GDT     H     2_A     H     2_A      4    6   87      3    4    4    5    6    7    8    9    9   10   10   10   15   15   20   24   25   25   68   72 
LCS_GDT     M     3_A     M     3_A      4    6   87      3    4    4    5    6    7    8   10   11   18   28   42   47   56   68   78   81   84   84   84 
LCS_GDT     S     4_A     S     4_A      4    6   87      3    4    4    5    6    7   11   15   18   23   27   35   47   64   76   79   81   84   84   84 
LCS_GDT     G     5_A     G     5_A      4    6   87      3    3    4    5    6    8   11   18   30   38   45   62   64   65   76   79   81   84   84   84 
LCS_GDT     D     6_A     D     6_A      4    6   87      3    3    4    5   10   17   31   39   48   64   71   75   77   79   79   80   81   84   84   84 
LCS_GDT     N     7_A     N     7_A      4    9   87      3    4   12   21   35   45   59   67   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     G     8_A     G     8_A      3    9   87      3    8   21   31   44   57   64   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     G     9_A     G     9_A      5    9   87      3    5    6    7    9   20   27   44   57   66   70   75   76   78   79   80   80   81   81   83 
LCS_GDT     G    10_A     G    10_A      5   38   87      4    5    6   11   18   31   48   59   69   72   75   77   77   78   79   80   81   84   84   84 
LCS_GDT     E    11_A     E    11_A      5   71   87      4    7   13   26   43   57   64   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     R    12_A     R    12_A     22   72   87     11   29   52   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     R    13_A     R    13_A     22   72   87     14   39   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     K    14_A     K    14_A     22   72   87     14   42   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     G    15_A     G    15_A     22   72   87     19   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     S    16_A     S    16_A     22   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     V    17_A     V    17_A     22   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     K    18_A     K    18_A     22   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     W    19_A     W    19_A     22   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     F    20_A     F    20_A     22   72   87     15   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     D    21_A     D    21_A     22   72   87     24   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     T    22_A     T    22_A     22   72   87      4   19   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     Q    23_A     Q    23_A     22   72   87      4   30   49   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     K    24_A     K    24_A     22   72   87      3    8   14   46   61   63   65   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     G    25_A     G    25_A     22   72   87      3   15   29   52   61   63   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     F    26_A     F    26_A     22   72   87      6   23   49   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     G    27_A     G    27_A     22   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     F    28_A     F    28_A     22   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     I    29_A     I    29_A     22   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     T    30_A     T    30_A     22   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     P    31_A     P    31_A     22   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     D    32_A     D    32_A     22   72   87     19   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     D    33_A     D    33_A     22   72   87      6   26   51   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     G    34_A     G    34_A      8   72   87      3    6    8   13   24   58   65   68   72   74   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     G    35_A     G    35_A     13   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     D    36_A     D    36_A     13   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     D    37_A     D    37_A     13   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     L    38_A     L    38_A     13   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     F    39_A     F    39_A     13   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     V    40_A     V    40_A     13   72   87     15   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     H    41_A     H    41_A     13   72   87      3   27   46   58   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     Q    42_A     Q    42_A     13   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     S    43_A     S    43_A     13   72   87     15   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     S    44_A     S    44_A     13   72   87      5   41   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     I    45_A     I    45_A     13   72   87     15   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     R    46_A     R    46_A     13   72   87      5   29   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     S    47_A     S    47_A     13   72   87      4   17   35   57   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     E    48_A     E    48_A      6   72   87      3   10   17   27   34   46   57   67   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     G    49_A     G    49_A      6   72   87      3    6   16   23   37   51   65   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     F    50_A     F    50_A     31   72   87      3   16   43   56   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     R    51_A     R    51_A     31   72   87     12   44   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     S    52_A     S    52_A     31   72   87     15   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     L    53_A     L    53_A     31   72   87     15   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     A    54_A     A    54_A     31   72   87     15   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     A    55_A     A    55_A     31   72   87      8   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     E    56_A     E    56_A     31   72   87     12   39   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     E    57_A     E    57_A     31   72   87     19   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     A    58_A     A    58_A     31   72   87      8   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     V    59_A     V    59_A     31   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     E    60_A     E    60_A     31   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     F    61_A     F    61_A     31   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     E    62_A     E    62_A     31   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     V    63_A     V    63_A     31   72   87      6   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     E    64_A     E    64_A     31   72   87      6   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     I    65_A     I    65_A     31   72   87      5   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     D    66_A     D    66_A     31   72   87     12   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     N    67_A     N    67_A     31   72   87      7   44   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     N    68_A     N    68_A     31   72   87      7   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     N    69_A     N    69_A     31   72   87      7   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     R    70_A     R    70_A     31   72   87     12   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     P    71_A     P    71_A     31   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     K    72_A     K    72_A     31   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     A    73_A     A    73_A     31   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     I    74_A     I    74_A     31   72   87      7   44   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     D    75_A     D    75_A     31   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     V    76_A     V    76_A     31   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     S    77_A     S    77_A     31   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     G    78_A     G    78_A     31   72   87     25   46   54   59   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     P    79_A     P    79_A     31   72   87      5   23   51   58   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     D    80_A     D    80_A     31   72   87      5   13   46   56   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     G    81_A     G    81_A     31   72   87      5    9   28   51   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     A    82_A     A    82_A     11   72   87      5    9   23   50   61   64   67   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     P    83_A     P    83_A     11   72   87      4    9   15   31   55   63   66   69   73   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     V    84_A     V    84_A     11   36   87      4    6   10   13   23   31   57   66   71   75   76   77   78   79   79   80   81   84   84   84 
LCS_GDT     Q    85_A     Q    85_A      6   28   87      4    5    8   13   15   24   27   35   52   67   72   75   78   79   79   80   81   84   84   84 
LCS_GDT     G    86_A     G    86_A      5   15   87      3    4    9   14   21   24   30   41   55   67   71   75   78   79   79   80   81   84   84   84 
LCS_GDT     N    87_A     N    87_A      3    4   87      3    3    4    5    7    7    8    9   26   32   35   40   47   53   72   76   79   84   84   84 
LCS_GDT     S    88_A     S    88_A      3    4   87      3    3    4    4    7    7    8    9   13   28   30   32   36   40   42   53   65   71   73   79 
LCS_GDT     G    89_A     G    89_A      3    4   86      3    3    3    5    7    7    8    9   17   28   30   31   36   39   42   43   55   61   68   79 
LCS_GDT     G    90_A     G    90_A      3    4   81      3    3    3    5    7    7    8    9   14   16   23   26   33   38   41   42   49   55   57   60 
LCS_GDT     G    91_A     G    91_A      3    4   38      3    3    3    4    7   11   16   20   26   29   32   35   45   48   54   60   65   71   80   84 
LCS_GDT     S    92_A     S    92_A      3    4   38      0    3    3    3    6    7    7    9   15   23   33   36   38   48   56   67   70   72   83   84 
LCS_AVERAGE  LCS_A:  59.59  (  20.95   64.48   93.32 )

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     25     46     54     59     61     64     67     69     73     75     76     77     78     79     79     80     81     84     84     84 
GDT PERCENT_AT  27.17  50.00  58.70  64.13  66.30  69.57  72.83  75.00  79.35  81.52  82.61  83.70  84.78  85.87  85.87  86.96  88.04  91.30  91.30  91.30
GDT RMS_LOCAL    0.31   0.61   0.77   0.98   1.03   1.25   1.42   1.57   2.12   2.31   2.37   2.48   2.77   2.99   2.85   3.08   3.93   4.28   4.28   4.28
GDT RMS_ALL_AT   8.22   8.04   8.02   8.03   8.05   7.84   7.85   7.82   7.49   7.38   7.41   7.43   7.20   7.07   7.34   7.09   6.66   6.58   6.58   6.58

# Checking swapping
#   possible swapping detected:  E    11_A      E    11_A
#   possible swapping detected:  F    20_A      F    20_A
#   possible swapping detected:  F    28_A      F    28_A
#   possible swapping detected:  D    33_A      D    33_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  F    50_A      F    50_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  E    60_A      E    60_A
#   possible swapping detected:  D    66_A      D    66_A
#   possible swapping detected:  D    75_A      D    75_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G     1_A      G     1_A    21.086     0    0.056   0.056    22.310    0.000    0.000
LGA    H     2_A      H     2_A    15.452     0    0.160   1.287    17.856    0.000    0.619
LGA    M     3_A      M     3_A    16.621     0    0.055   1.012    16.621    0.000    0.000
LGA    S     4_A      S     4_A    17.492     0    0.423   0.639    18.519    0.000    0.000
LGA    G     5_A      G     5_A    18.300     0    0.020   0.020    18.300    0.000    0.000
LGA    D     6_A      D     6_A    12.027     0    0.379   0.844    14.110    0.000    1.845
LGA    N     7_A      N     7_A     8.127     0    0.220   1.311    10.912    8.214    4.583
LGA    G     8_A      G     8_A     6.776     0    0.541   0.541     8.421    9.643    9.643
LGA    G     9_A      G     9_A    10.698     0    0.574   0.574    11.079    0.476    0.476
LGA    G    10_A      G    10_A     7.409     0    0.583   0.583     8.130   13.333   13.333
LGA    E    11_A      E    11_A     5.612     0    0.168   0.614     7.866   28.214   20.106
LGA    R    12_A      R    12_A     1.958     0    0.084   1.523     5.650   61.190   57.013
LGA    R    13_A      R    13_A     1.231     0    0.089   1.469     4.657   85.952   77.100
LGA    K    14_A      K    14_A     0.995     0    0.019   0.761     2.908   85.952   79.894
LGA    G    15_A      G    15_A     0.500     0    0.024   0.024     0.605   97.619   97.619
LGA    S    16_A      S    16_A     0.048     0    0.061   0.582     2.099   97.619   92.540
LGA    V    17_A      V    17_A     0.152     0    0.071   0.133     0.700   97.619   98.639
LGA    K    18_A      K    18_A     0.370     0    0.020   0.916     2.162  100.000   87.989
LGA    W    19_A      W    19_A     0.485     0    0.038   0.510     2.737  100.000   84.048
LGA    F    20_A      F    20_A     0.889     0    0.118   0.214     1.644   90.476   83.983
LGA    D    21_A      D    21_A     0.448     0    0.088   0.511     2.887   92.976   83.095
LGA    T    22_A      T    22_A     1.773     0    0.015   1.160     3.800   69.048   61.088
LGA    Q    23_A      Q    23_A     2.561     0    0.104   1.526     6.368   55.833   52.275
LGA    K    24_A      K    24_A     4.024     0    0.066   0.960     4.589   40.476   40.688
LGA    G    25_A      G    25_A     3.556     0    0.069   0.069     3.556   48.333   48.333
LGA    F    26_A      F    26_A     1.975     0    0.065   0.081     3.430   77.381   63.939
LGA    G    27_A      G    27_A     0.314     0    0.138   0.138     0.520   97.619   97.619
LGA    F    28_A      F    28_A     0.108     0    0.059   0.091     0.352  100.000  100.000
LGA    I    29_A      I    29_A     0.215     0    0.024   0.040     0.337  100.000  100.000
LGA    T    30_A      T    30_A     0.268     0    0.033   0.046     0.442  100.000  100.000
LGA    P    31_A      P    31_A     0.708     0    0.054   0.366     1.006   90.476   91.905
LGA    D    32_A      D    32_A     0.733     0    0.090   0.880     2.452   85.952   80.655
LGA    D    33_A      D    33_A     2.419     0    0.062   0.596     5.114   54.524   46.845
LGA    G    34_A      G    34_A     4.939     0    0.707   0.707     4.939   43.690   43.690
LGA    G    35_A      G    35_A     0.391     0    0.418   0.418     2.107   91.190   91.190
LGA    D    36_A      D    36_A     0.779     0    0.020   0.633     2.178   90.476   85.000
LGA    D    37_A      D    37_A     0.641     0    0.036   0.597     2.002   90.476   87.262
LGA    L    38_A      L    38_A     0.704     0    0.012   1.208     2.476   90.476   84.048
LGA    F    39_A      F    39_A     0.785     0    0.008   0.357     1.967   90.476   84.026
LGA    V    40_A      V    40_A     1.066     0    0.012   0.096     1.554   81.548   84.082
LGA    H    41_A      H    41_A     2.269     0    0.139   0.456     6.051   72.976   48.571
LGA    Q    42_A      Q    42_A     1.206     0    0.017   1.112     4.266   86.190   76.720
LGA    S    43_A      S    43_A     0.556     0    0.086   0.585     2.844   86.071   81.984
LGA    S    44_A      S    44_A     1.064     0    0.028   0.646     2.118   85.952   81.667
LGA    I    45_A      I    45_A     0.439     0    0.103   0.692     1.840   88.571   87.321
LGA    R    46_A      R    46_A     1.605     0    0.570   1.213     9.060   62.976   43.810
LGA    S    47_A      S    47_A     3.388     0    0.088   0.681     4.642   44.405   47.460
LGA    E    48_A      E    48_A     7.405     0    0.035   0.879    13.801   10.476    4.974
LGA    G    49_A      G    49_A     6.365     0    0.220   0.220     6.365   25.714   25.714
LGA    F    50_A      F    50_A     3.324     0    0.054   0.348     5.089   47.143   40.476
LGA    R    51_A      R    51_A     1.074     0    0.122   1.373     4.497   83.810   75.281
LGA    S    52_A      S    52_A     0.855     0    0.042   0.063     1.250   90.476   87.460
LGA    L    53_A      L    53_A     0.786     0    0.226   0.391     1.927   86.071   84.881
LGA    A    54_A      A    54_A     0.429     0    0.035   0.052     0.689  100.000   98.095
LGA    A    55_A      A    55_A     1.057     0    0.627   0.608     3.485   75.833   76.952
LGA    E    56_A      E    56_A     1.430     0    0.019   0.692     3.436   81.429   71.429
LGA    E    57_A      E    57_A     0.749     0    0.031   0.724     2.754   90.476   81.852
LGA    A    58_A      A    58_A     0.875     0    0.064   0.086     1.093   90.476   88.667
LGA    V    59_A      V    59_A     0.331     0    0.022   0.139     0.464  100.000  100.000
LGA    E    60_A      E    60_A     0.449     0    0.019   0.080     1.175   95.238   89.577
LGA    F    61_A      F    61_A     0.889     0    0.080   0.102     1.077   88.214   90.519
LGA    E    62_A      E    62_A     0.965     0    0.060   0.797     2.761   85.952   76.085
LGA    V    63_A      V    63_A     1.127     0    0.048   1.218     2.780   81.429   76.735
LGA    E    64_A      E    64_A     1.382     0    0.121   1.000     4.765   81.429   64.180
LGA    I    65_A      I    65_A     1.100     0    0.049   0.617     1.542   85.952   82.619
LGA    D    66_A      D    66_A     0.825     0    0.069   0.747     3.680   88.214   76.071
LGA    N    67_A      N    67_A     1.321     0    0.030   0.995     2.714   81.429   74.286
LGA    N    68_A      N    68_A     1.075     0    0.051   1.429     3.864   85.952   73.929
LGA    N    69_A      N    69_A     0.979     0    0.086   0.198     1.175   85.952   87.083
LGA    R    70_A      R    70_A     0.747     0    0.098   1.444     7.246   88.214   62.987
LGA    P    71_A      P    71_A     0.788     0    0.034   0.346     1.220   90.476   87.891
LGA    K    72_A      K    72_A     0.721     0    0.044   0.182     1.728   90.476   85.503
LGA    A    73_A      A    73_A     0.776     0    0.033   0.032     1.416   85.952   86.857
LGA    I    74_A      I    74_A     1.421     0    0.051   0.517     1.899   83.690   78.274
LGA    D    75_A      D    75_A     1.033     0    0.087   0.973     4.681   81.429   71.190
LGA    V    76_A      V    76_A     0.901     0    0.019   0.096     1.188   90.476   87.891
LGA    S    77_A      S    77_A     0.827     0    0.017   0.114     0.925   90.476   90.476
LGA    G    78_A      G    78_A     0.814     0    0.061   0.061     1.261   85.952   85.952
LGA    P    79_A      P    79_A     1.940     0    0.043   0.283     2.680   69.048   71.973
LGA    D    80_A      D    80_A     2.894     0    0.118   0.953     5.542   52.262   45.476
LGA    G    81_A      G    81_A     3.240     0    0.147   0.147     3.894   50.119   50.119
LGA    A    82_A      A    82_A     3.022     0    0.097   0.120     3.022   59.286   58.857
LGA    P    83_A      P    83_A     4.325     0    0.049   0.375     6.029   32.976   28.095
LGA    V    84_A      V    84_A     5.729     0    0.085   1.076     7.625   17.500   19.184
LGA    Q    85_A      Q    85_A     9.798     0    0.640   1.279    12.876    1.310    2.698
LGA    G    86_A      G    86_A    10.939     0    0.663   0.663    12.420    0.119    0.119
LGA    N    87_A      N    87_A    16.265     0    0.420   1.137    18.752    0.000    0.000
LGA    S    88_A      S    88_A    20.259     0    0.090   0.661    22.575    0.000    0.000
LGA    G    89_A      G    89_A    24.169     0    0.403   0.403    24.985    0.000    0.000
LGA    G    90_A      G    90_A    25.800     0    0.410   0.410    26.485    0.000    0.000
LGA    G    91_A      G    91_A    23.410     0    0.636   0.636    25.237    0.000    0.000
LGA    S    92_A      S    92_A    23.591     0    0.602   0.878    27.047    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       92     368    368  100.00     680    680  100.00                92
SUMMARY(RMSD_GDC):     6.202          6.153                  5.807           63.107   59.164

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)   92   92    4.0     69    1.57    69.022    69.911     4.128

LGA_LOCAL      RMSD:   1.572  Number of atoms:   69  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   7.820  Number of assigned atoms:   92 
Std_ASGN_ATOMS RMSD:   6.202  Standard rmsd on all 92 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.817951 * X  +  -0.070133 * Y  +  -0.570996 * Z  +  -3.681252
  Y_new =   0.186287 * X  +   0.906774 * Y  +  -0.378231 * Z  +   5.456774
  Z_new =   0.544291 * X  +  -0.415744 * Y  +  -0.728632 * Z  +  -7.242502 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.917664 -0.575544 -2.623086   [DEG:  167.1698  -32.9762 -150.2917 ]
ZXZ: -0.985750  2.387119  2.223088   [DEG:  -56.4793  136.7718  127.3735 ]
 
# END of job
