
#######################################################
#                                                     #
#                        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  100 (  795),  selected  100 , name one
# Molecule2: number of CA atoms  132 ( 1072),  selected  100 , 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:   100      15_A - 114_A       1.74     1.74
  LCS_AVERAGE:     75.76

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   100      15_A - 114_A       1.74     1.74
  LCS_AVERAGE:     75.76

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    56      18_A - 73_A        0.99     1.99
  LCS_AVERAGE:     35.66

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  100
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     A    15_A     A    15_A     30  100  100     10   16   37   83   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     K    16_A     K    16_A     54  100  100     11   21   42   83   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     Q    17_A     Q    17_A     55  100  100     11   22   58   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     D    18_A     D    18_A     56  100  100     11   22   54   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     F    19_A     F    19_A     56  100  100     11   25   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     A    20_A     A    20_A     56  100  100     11   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     E    21_A     E    21_A     56  100  100     11   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     G    22_A     G    22_A     56  100  100     10   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     V    23_A     V    23_A     56  100  100     11   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     K    24_A     K    24_A     56  100  100     12   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     L    25_A     L    25_A     56  100  100     16   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     W    26_A     W    26_A     56  100  100     11   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     Q    27_A     Q    27_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     E    28_A     E    28_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     N    29_A     N    29_A     56  100  100     11   44   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     A    30_A     A    30_A     56  100  100     11   44   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     V    31_A     V    31_A     56  100  100     11   44   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     L    32_A     L    32_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     W    33_A     W    33_A     56  100  100     17   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     T    34_A     T    34_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     R    35_A     R    35_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     L    36_A     L    36_A     56  100  100     16   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     V    37_A     V    37_A     56  100  100     12   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     Q    38_A     Q    38_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     A    39_A     A    39_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     F    40_A     F    40_A     56  100  100     14   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     Q    41_A     Q    41_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     S    42_A     S    42_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     G    43_A     G    43_A     56  100  100     13   41   70   83   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     D    44_A     D    44_A     56  100  100     13   41   70   83   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     Q    45_A     Q    45_A     56  100  100     13   32   65   82   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     S    46_A     S    46_A     56  100  100     13   38   66   80   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     T    47_A     T    47_A     56  100  100     13   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     V    48_A     V    48_A     56  100  100     13   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     D    49_A     D    49_A     56  100  100     13   43   69   83   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     S    50_A     S    50_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     L    51_A     L    51_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     L    52_A     L    52_A     56  100  100     17   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     K    53_A     K    53_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     Q    54_A     Q    54_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     L    55_A     L    55_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     D    56_A     D    56_A     56  100  100     18   45   70   83   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     A    57_A     A    57_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     N    58_A     N    58_A     56  100  100     17   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     A    59_A     A    59_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     A    60_A     A    60_A     56  100  100     18   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     R    61_A     R    61_A     56  100  100     17   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     V    62_A     V    62_A     56  100  100     17   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     E    63_A     E    63_A     56  100  100     17   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     Q    64_A     Q    64_A     56  100  100     17   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     L    65_A     L    65_A     56  100  100     17   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     L    66_A     L    66_A     56  100  100     16   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     Q    67_A     Q    67_A     56  100  100     11   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     R    68_A     R    68_A     56  100  100     11   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     I    69_A     I    69_A     56  100  100      8   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     I    70_A     I    70_A     56  100  100      8   36   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     S    71_A     S    71_A     56  100  100      4   36   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     E    72_A     E    72_A     56  100  100      4   36   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     T    73_A     T    73_A     56  100  100      3   38   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     G    74_A     G    74_A     52  100  100      3    4   22   69   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     D    75_A     D    75_A      5  100  100      3    4    5    5    5   12   37   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     E    76_A     E    76_A      3  100  100      3    3    3    4   32   61   89   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     L    77_A     L    77_A      3  100  100      3    3    3    4   50   60   76   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     A    78_A     A    78_A     37  100  100      3    4    6   54   73   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     R    79_A     R    79_A     37  100  100     10   33   61   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     K    80_A     K    80_A     37  100  100     10   33   61   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     G    81_A     G    81_A     37  100  100     10   33   68   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     E    82_A     E    82_A     37  100  100     10   34   49   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     S    83_A     S    83_A     37  100  100     10   34   48   80   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     L    84_A     L    84_A     37  100  100     10   34   48   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     F    85_A     F    85_A     37  100  100     12   34   48   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     Q    86_A     Q    86_A     37  100  100     12   34   48   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     R    87_A     R    87_A     37  100  100     10   34   48   78   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     N    88_A     N    88_A     37  100  100     10   34   48   81   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     Q    89_A     Q    89_A     37  100  100     11   34   48   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     Q    90_A     Q    90_A     37  100  100     11   34   59   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     L    91_A     L    91_A     37  100  100     12   20   54   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     F    92_A     F    92_A     37  100  100     12   20   54   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     S    93_A     S    93_A     37  100  100     12   34   62   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     Q    94_A     Q    94_A     37  100  100     12   34   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     L    95_A     L    95_A     37  100  100     12   34   68   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     K    96_A     K    96_A     37  100  100     12   34   68   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     T    97_A     T    97_A     37  100  100     12   34   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     L    98_A     L    98_A     37  100  100     12   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     F    99_A     F    99_A     37  100  100     12   34   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     S   100_A     S   100_A     37  100  100     12   34   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     Q   101_A     Q   101_A     37  100  100     12   40   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     G   102_A     G   102_A     37  100  100     12   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     D   103_A     D   103_A     37  100  100     16   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     E   104_A     E   104_A     37  100  100     17   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     D   105_A     D   105_A     37  100  100     17   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     T   106_A     T   106_A     37  100  100     17   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     A   107_A     A   107_A     37  100  100     13   45   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     K   108_A     K   108_A     37  100  100     12   44   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     A   109_A     A   109_A     37  100  100      9   44   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     V   110_A     V   110_A     37  100  100     12   44   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     L   111_A     L   111_A     37  100  100     10   34   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     E   112_A     E   112_A     37  100  100     12   34   69   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     E   113_A     E   113_A     37  100  100     12   34   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_GDT     I   114_A     I   114_A     37  100  100     12   34   70   84   96   97   97   98   99  100  100  100  100  100  100  100  100  100  100  100 
LCS_AVERAGE  LCS_A:  62.39  (  35.66   75.76   75.76 )

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     18     45     70     84     96     97     97     98     99    100    100    100    100    100    100    100    100    100    100    100 
GDT PERCENT_AT  13.64  34.09  53.03  63.64  72.73  73.48  73.48  74.24  75.00  75.76  75.76  75.76  75.76  75.76  75.76  75.76  75.76  75.76  75.76  75.76
GDT RMS_LOCAL    0.38   0.67   1.01   1.31   1.45   1.50   1.50   1.61   1.66   1.74   1.74   1.74   1.74   1.74   1.74   1.74   1.74   1.74   1.74   1.74
GDT RMS_ALL_AT   2.58   2.06   1.85   1.76   1.75   1.75   1.75   1.75   1.75   1.74   1.74   1.74   1.74   1.74   1.74   1.74   1.74   1.74   1.74   1.74

# Checking swapping
#   possible swapping detected:  E    21_A      E    21_A
#   possible swapping detected:  D    49_A      D    49_A
#   possible swapping detected:  D    56_A      D    56_A
#   possible swapping detected:  E    63_A      E    63_A
#   possible swapping detected:  D    75_A      D    75_A
#   possible swapping detected:  F    92_A      F    92_A
#   possible swapping detected:  F    99_A      F    99_A
#   possible swapping detected:  E   113_A      E   113_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A    15_A      A    15_A     2.169     0    0.069   0.063     2.401   66.786   66.381
LGA    K    16_A      K    16_A     1.873     0    0.043   1.084     5.409   70.833   63.333
LGA    Q    17_A      Q    17_A     1.804     0    0.023   1.369     5.877   72.857   55.767
LGA    D    18_A      D    18_A     1.811     0    0.022   0.108     2.794   75.000   67.024
LGA    F    19_A      F    19_A     1.126     0    0.032   0.209     1.363   85.952   89.740
LGA    A    20_A      A    20_A     0.777     0    0.034   0.035     0.933   90.476   90.476
LGA    E    21_A      E    21_A     1.106     0    0.061   1.135     4.803   81.429   68.148
LGA    G    22_A      G    22_A     1.208     0    0.044   0.044     1.208   81.429   81.429
LGA    V    23_A      V    23_A     0.923     0    0.027   0.051     0.963   90.476   90.476
LGA    K    24_A      K    24_A     0.643     0    0.023   0.642     2.432   90.476   86.878
LGA    L    25_A      L    25_A     0.729     0    0.035   0.159     0.986   90.476   90.476
LGA    W    26_A      W    26_A     1.187     0    0.023   0.153     2.138   81.429   75.952
LGA    Q    27_A      Q    27_A     0.998     0    0.026   0.109     1.326   88.214   87.460
LGA    E    28_A      E    28_A     0.746     0    0.018   0.373     0.962   90.476   92.593
LGA    N    29_A      N    29_A     1.161     0    0.060   1.269     3.898   81.429   73.512
LGA    A    30_A      A    30_A     1.533     0    0.028   0.032     1.776   79.286   78.000
LGA    V    31_A      V    31_A     1.233     0    0.018   0.031     1.558   85.952   82.789
LGA    L    32_A      L    32_A     0.602     0    0.031   0.078     0.774   90.476   95.238
LGA    W    33_A      W    33_A     0.793     0    0.067   0.069     0.849   90.476   90.476
LGA    T    34_A      T    34_A     0.845     0    0.020   0.047     1.404   90.476   86.599
LGA    R    35_A      R    35_A     0.571     0    0.018   1.653     9.672   90.476   51.342
LGA    L    36_A      L    36_A     0.623     0    0.020   0.091     1.291   92.857   88.274
LGA    V    37_A      V    37_A     0.871     0    0.047   0.064     1.396   90.476   86.599
LGA    Q    38_A      Q    38_A     0.547     0    0.020   0.215     1.590   95.238   87.619
LGA    A    39_A      A    39_A     0.526     0    0.025   0.026     0.849   92.857   92.381
LGA    F    40_A      F    40_A     0.883     0    0.012   0.068     2.427   90.476   77.836
LGA    Q    41_A      Q    41_A     0.307     0    0.054   0.072     1.996   97.619   86.772
LGA    S    42_A      S    42_A     1.017     0    0.107   0.107     1.971   81.548   80.079
LGA    G    43_A      G    43_A     1.737     0    0.036   0.036     2.361   72.976   72.976
LGA    D    44_A      D    44_A     1.855     0    0.022   0.107     2.229   72.857   71.845
LGA    Q    45_A      Q    45_A     2.215     0    0.027   0.292     3.701   64.762   59.841
LGA    S    46_A      S    46_A     2.231     0    0.055   0.662     2.512   68.810   66.190
LGA    T    47_A      T    47_A     1.483     0    0.015   0.034     1.784   79.286   78.980
LGA    V    48_A      V    48_A     1.360     0    0.018   0.054     1.510   79.286   78.980
LGA    D    49_A      D    49_A     1.916     0    0.036   0.868     4.463   72.857   60.833
LGA    S    50_A      S    50_A     1.449     0    0.027   0.073     1.852   79.286   78.571
LGA    L    51_A      L    51_A     0.902     0    0.023   0.065     1.172   85.952   87.083
LGA    L    52_A      L    52_A     1.365     0    0.039   0.067     1.729   81.429   77.143
LGA    K    53_A      K    53_A     1.400     0    0.023   0.038     1.626   81.429   79.524
LGA    Q    54_A      Q    54_A     1.091     0    0.021   0.454     1.985   81.429   83.492
LGA    L    55_A      L    55_A     1.075     0    0.035   0.076     1.312   83.690   85.952
LGA    D    56_A      D    56_A     1.592     0    0.063   0.157     2.432   79.286   73.036
LGA    A    57_A      A    57_A     1.169     0    0.028   0.027     1.294   81.429   81.429
LGA    N    58_A      N    58_A     1.101     0    0.038   0.072     1.190   81.429   81.429
LGA    A    59_A      A    59_A     1.280     0    0.062   0.067     1.322   81.429   81.429
LGA    A    60_A      A    60_A     1.447     0    0.025   0.038     1.553   81.429   79.714
LGA    R    61_A      R    61_A     1.102     0    0.019   1.637     7.769   81.429   55.844
LGA    V    62_A      V    62_A     1.190     0    0.026   0.054     1.373   81.429   81.429
LGA    E    63_A      E    63_A     1.128     0    0.018   0.563     2.032   81.429   75.820
LGA    Q    64_A      Q    64_A     1.336     0    0.027   0.055     1.560   79.286   80.476
LGA    L    65_A      L    65_A     1.278     0    0.037   0.155     1.611   81.429   80.357
LGA    L    66_A      L    66_A     1.305     0    0.160   1.179     3.921   79.286   76.726
LGA    Q    67_A      Q    67_A     0.849     0    0.069   0.189     0.973   90.476   92.593
LGA    R    68_A      R    68_A     0.868     0    0.023   1.533     6.643   88.214   66.753
LGA    I    69_A      I    69_A     1.441     0    0.028   0.099     2.269   81.429   75.119
LGA    I    70_A      I    70_A     1.336     0    0.028   0.214     1.787   81.429   80.357
LGA    S    71_A      S    71_A     0.705     0    0.029   0.599     1.909   88.214   86.032
LGA    E    72_A      E    72_A     0.939     0    0.047   0.914     3.740   88.214   70.529
LGA    T    73_A      T    73_A     0.859     0    0.179   1.092     3.888   92.857   79.048
LGA    G    74_A      G    74_A     2.586     0    0.590   0.590     3.076   59.286   59.286
LGA    D    75_A      D    75_A     5.741     0    0.611   1.332    11.906   26.429   13.810
LGA    E    76_A      E    76_A     5.203     0    0.088   0.833    11.038   27.619   14.921
LGA    L    77_A      L    77_A     4.927     0    0.584   1.424     9.150   30.357   19.643
LGA    A    78_A      A    78_A     4.141     0    0.543   0.497     5.327   48.571   44.095
LGA    R    79_A      R    79_A     1.885     0    0.176   1.380     7.347   68.929   57.489
LGA    K    80_A      K    80_A     1.866     0    0.064   0.061     1.954   72.857   72.857
LGA    G    81_A      G    81_A     1.671     0    0.018   0.018     1.727   72.857   72.857
LGA    E    82_A      E    82_A     2.065     0    0.013   0.082     2.519   64.881   67.513
LGA    S    83_A      S    83_A     2.573     0    0.071   0.668     2.931   59.048   58.413
LGA    L    84_A      L    84_A     2.517     0    0.026   0.058     2.734   57.143   57.143
LGA    F    85_A      F    85_A     2.471     0    0.056   1.378     5.251   62.857   56.147
LGA    Q    86_A      Q    86_A     2.303     0    0.024   0.992     3.342   62.857   62.434
LGA    R    87_A      R    87_A     2.553     0    0.024   1.204     7.485   59.048   41.775
LGA    N    88_A      N    88_A     2.554     0    0.017   0.072     2.741   60.952   59.048
LGA    Q    89_A      Q    89_A     2.353     0    0.021   1.204     3.624   64.762   62.381
LGA    Q    90_A      Q    90_A     1.981     0    0.019   0.129     2.131   66.786   71.111
LGA    L    91_A      L    91_A     2.151     0    0.078   0.090     2.477   66.786   65.774
LGA    F    92_A      F    92_A     2.195     0    0.017   1.251     4.570   68.810   61.688
LGA    S    93_A      S    93_A     1.716     0    0.089   0.113     1.880   77.143   75.714
LGA    Q    94_A      Q    94_A     1.058     0    0.036   1.352     4.594   85.952   69.788
LGA    L    95_A      L    95_A     1.301     0    0.024   1.405     3.218   81.429   76.488
LGA    K    96_A      K    96_A     1.456     0    0.037   0.064     3.269   81.429   70.582
LGA    T    97_A      T    97_A     0.893     0    0.018   0.035     0.973   90.476   90.476
LGA    L    98_A      L    98_A     0.394     0    0.025   0.156     0.940   95.238   95.238
LGA    F    99_A      F    99_A     1.158     0    0.090   1.197     5.871   83.690   61.169
LGA    S   100_A      S   100_A     1.601     0    0.107   0.647     2.013   75.000   75.873
LGA    Q   101_A      Q   101_A     1.583     0    0.122   0.976     5.394   79.286   61.376
LGA    G   102_A      G   102_A     1.182     0    0.046   0.046     1.408   81.429   81.429
LGA    D   103_A      D   103_A     1.165     0    0.111   1.021     5.262   81.429   64.226
LGA    E   104_A      E   104_A     1.200     0    0.076   0.093     1.902   81.429   76.667
LGA    D   105_A      D   105_A     1.035     0    0.045   0.416     1.336   81.429   82.560
LGA    T   106_A      T   106_A     1.230     0    0.023   1.059     3.314   81.429   72.449
LGA    A   107_A      A   107_A     0.887     0    0.027   0.032     0.930   90.476   90.476
LGA    K   108_A      K   108_A     1.137     0    0.028   1.041     6.964   83.690   61.746
LGA    A   109_A      A   109_A     1.409     0    0.046   0.052     1.528   81.429   79.714
LGA    V   110_A      V   110_A     0.794     0    0.011   0.109     1.097   88.214   91.905
LGA    L   111_A      L   111_A     1.250     0    0.025   0.112     1.517   81.429   80.357
LGA    E   112_A      E   112_A     1.431     0    0.062   0.090     1.810   77.143   78.571
LGA    E   113_A      E   113_A     1.358     0    0.136   0.833     3.910   79.286   63.545
LGA    I   114_A      I   114_A     1.191     0    0.602   0.577     3.292   73.571   78.631

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      100     400    400  100.00     795    795  100.00               132
SUMMARY(RMSD_GDC):     1.744          1.716                  2.470           59.265   55.610

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  100  132    4.0     98    1.61    61.932    69.338     5.716

LGA_LOCAL      RMSD:   1.614  Number of atoms:   98  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   1.748  Number of assigned atoms:  100 
Std_ASGN_ATOMS RMSD:   1.744  Standard rmsd on all 100 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.457251 * X  +  -0.783509 * Y  +   0.420754 * Z  +  -7.858621
  Y_new =   0.542361 * X  +  -0.620620 * Y  +  -0.566282 * Z  +  14.307554
  Z_new =   0.704816 * X  +  -0.030733 * Y  +   0.708724 * Z  + -17.288734 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.271257 -0.782164 -0.043336   [DEG:  130.1334  -44.8147   -2.4830 ]
ZXZ:  0.639014  0.783108  1.614372   [DEG:   36.6128   44.8688   92.4967 ]
 
# END of job
