
#######################################################
#                                                     #
#                        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 (  800),  selected   96 , name one
# Molecule2: number of CA atoms   96 (  752),  selected   96 , 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:    96       2_A - 99_A        2.80     2.80
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91       4_A - 96_A        1.96     2.84
  LONGEST_CONTINUOUS_SEGMENT:    91       5_A - 97_A        1.99     2.84
  LONGEST_CONTINUOUS_SEGMENT:    91       6_A - 98_A        1.96     2.84
  LCS_AVERAGE:     92.90

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41       7_A - 47_A        0.97     3.07
  LCS_AVERAGE:     35.94

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:   96
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     2_A     A     2_A      3    4   96      3    3    4    4    4    4    4    4   11   11   12   58   74   79   81   90   90   95   95   95 
LCS_GDT     K     3_A     K     3_A      3   90   96      3    3    5    6    7   12   31   65   76   79   87   90   90   90   91   94   95   95   95   95 
LCS_GDT     E     4_A     E     4_A      3   91   96      3    3    4   40   61   74   83   87   89   89   90   92   93   93   93   94   95   95   95   95 
LCS_GDT     R     5_A     R     5_A      3   91   96      3    3    5    6    7   66   82   86   89   89   90   92   93   93   93   94   95   95   95   95 
LCS_GDT     A     6_A     A     6_A     40   91   96      3    3   32   53   76   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     L     7_A     L     7_A     41   91   96     14   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     T     8_A     T     8_A     41   91   96     22   37   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     L     9_A     L     9_A     41   91   96     13   32   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     E    10_A     E    10_A     41   91   96     11   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     A    11_A     A    11_A     41   91   96     22   38   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     L    12_A     L    12_A     41   91   96     22   37   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     R    13_A     R    13_A     41   91   96     22   38   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     V    14_A     V    14_A     41   91   96     22   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     M    15_A     M    15_A     41   91   96     22   37   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     D    16_A     D    16_A     41   91   96     22   37   64   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     A    17_A     A    17_A     41   91   96     22   37   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     I    18_A     I    18_A     41   91   96     22   37   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     D    19_A     D    19_A     41   91   96     22   37   56   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     R    20_A     R    20_A     41   91   96     22   37   56   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     R    21_A     R    21_A     41   91   96     19   37   58   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     G    22_A     G    22_A     41   91   96     14   37   50   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     S    23_A     S    23_A     41   91   96     22   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     F    24_A     F    24_A     41   91   96     22   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     A    25_A     A    25_A     41   91   96     22   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     A    26_A     A    26_A     41   91   96     22   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     A    27_A     A    27_A     41   91   96     22   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     A    28_A     A    28_A     41   91   96     22   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     D    29_A     D    29_A     41   91   96     22   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     E    30_A     E    30_A     41   91   96     22   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     L    31_A     L    31_A     41   91   96     22   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     G    32_A     G    32_A     41   91   96     22   37   63   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     R    33_A     R    33_A     41   91   96     20   39   63   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     V    34_A     V    34_A     41   91   96     10   39   63   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     P    35_A     P    35_A     41   91   96     19   39   63   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     S    36_A     S    36_A     41   91   96      9   34   62   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     A    37_A     A    37_A     41   91   96     19   39   63   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     L    38_A     L    38_A     41   91   96     22   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     S    39_A     S    39_A     41   91   96     10   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     Y    40_A     Y    40_A     41   91   96     14   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     T    41_A     T    41_A     41   91   96     14   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     M    42_A     M    42_A     41   91   96     13   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     Q    43_A     Q    43_A     41   91   96     14   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     K    44_A     K    44_A     41   91   96     10   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     L    45_A     L    45_A     41   91   96     10   38   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     E    46_A     E    46_A     41   91   96     11   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     E    47_A     E    47_A     41   91   96     11   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     E    48_A     E    48_A     36   91   96     10   31   60   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     L    49_A     L    49_A     36   91   96      9   33   63   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     D    50_A     D    50_A     36   91   96     11   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     V    51_A     V    51_A     36   91   96     15   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     V    52_A     V    52_A     36   91   96     13   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     L    53_A     L    53_A     36   91   96     13   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     F    54_A     F    54_A     36   91   96     13   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     D    55_A     D    55_A     36   91   96      3   33   63   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     R    56_A     R    56_A     34   91   96      3   11   22   45   71   77   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     S    57_A     S    57_A     12   91   96      3    8   17   28   61   74   82   86   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     R    60_A     R    60_A     35   91   96      3   15   53   74   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     T    61_A     T    61_A     35   91   96     14   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     K    62_A     K    62_A     35   91   96     14   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     F    63_A     F    63_A     35   91   96     15   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     T    64_A     T    64_A     35   91   96     15   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     N    65_A     N    65_A     35   91   96     13   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     V    66_A     V    66_A     35   91   96     13   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     G    67_A     G    67_A     35   91   96     16   37   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     R    68_A     R    68_A     35   91   96     17   34   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     M    69_A     M    69_A     35   91   96     13   37   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     L    70_A     L    70_A     35   91   96     13   37   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     L    71_A     L    71_A     35   91   96     13   35   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     E    72_A     E    72_A     35   91   96      4   26   62   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     R    73_A     R    73_A     35   91   96     11   37   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     G    74_A     G    74_A     35   91   96     13   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     R    75_A     R    75_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     V    76_A     V    76_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     L    77_A     L    77_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     L    78_A     L    78_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     E    79_A     E    79_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     A    80_A     A    80_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     A    81_A     A    81_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     D    82_A     D    82_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     K    83_A     K    83_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     L    84_A     L    84_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     T    85_A     T    85_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     T    86_A     T    86_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     D    87_A     D    87_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     A    88_A     A    88_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     E    89_A     E    89_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     A    90_A     A    90_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     L    91_A     L    91_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     A    92_A     A    92_A     35   91   96     18   39   66   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     R    93_A     R    93_A     35   91   96     16   35   64   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     L    94_A     L    94_A     35   91   96     16   34   64   80   84   85   86   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     E    95_A     E    95_A      4   91   96      3    3    4    5    6   12   17   74   86   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     H    96_A     H    96_A      4   91   96      4    4   20   22   34   53   83   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     H    97_A     H    97_A      4   91   96      4    4    4    5    8   11   54   77   88   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     H    98_A     H    98_A      4   91   96      4    4    5    7   52   56   71   87   89   91   91   92   93   93   93   94   95   95   95   95 
LCS_GDT     H    99_A     H    99_A      4    5   96      4    4    4    5    5    7    8    9   11   13   14   15   17   20   26   93   95   95   95   95 
LCS_AVERAGE  LCS_A:  76.28  (  35.94   92.90  100.00 )

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     22     39     66     80     84     85     86     87     89     91     91     92     93     93     93     94     95     95     95     95 
GDT PERCENT_AT  22.92  40.62  68.75  83.33  87.50  88.54  89.58  90.62  92.71  94.79  94.79  95.83  96.88  96.88  96.88  97.92  98.96  98.96  98.96  98.96
GDT RMS_LOCAL    0.31   0.72   1.01   1.19   1.28   1.31   1.39   1.48   1.66   1.96   1.96   1.99   2.11   2.11   2.11   2.31   2.53   2.53   2.53   2.53
GDT RMS_ALL_AT   3.48   2.98   2.91   2.90   2.88   2.88   2.88   2.88   2.90   2.84   2.84   2.82   2.83   2.83   2.83   2.81   2.81   2.81   2.81   2.81

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E    10_A      E    10_A
#   possible swapping detected:  D    16_A      D    16_A
#   possible swapping detected:  E    48_A      E    48_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A    12.065     0    0.353   0.337    14.465    0.000    0.000
LGA    K     3_A      K     3_A     8.867     0    0.442   0.717    10.501    6.667    3.862
LGA    E     4_A      E     4_A     4.900     0    0.586   1.188     7.330   21.190   18.995
LGA    R     5_A      R     5_A     5.175     0    0.463   1.097    17.609   29.405   11.472
LGA    A     6_A      A     6_A     3.132     0    0.603   0.595     4.783   63.095   56.762
LGA    L     7_A      L     7_A     0.463     0    0.156   0.910     2.500   95.357   85.357
LGA    T     8_A      T     8_A     1.066     0    0.054   1.018     2.744   85.952   79.320
LGA    L     9_A      L     9_A     1.417     0    0.068   0.985     3.535   81.429   71.429
LGA    E    10_A      E    10_A     0.947     0    0.038   0.858     3.338   88.214   76.402
LGA    A    11_A      A    11_A     0.940     0    0.035   0.042     0.969   90.476   90.476
LGA    L    12_A      L    12_A     1.048     0    0.023   0.104     1.083   83.690   85.952
LGA    R    13_A      R    13_A     0.839     0    0.049   1.193     4.255   90.476   81.602
LGA    V    14_A      V    14_A     0.752     0    0.032   1.221     3.169   90.476   81.020
LGA    M    15_A      M    15_A     1.250     0    0.024   1.399     4.067   81.429   74.940
LGA    D    16_A      D    16_A     1.563     0    0.043   0.959     4.423   77.143   66.607
LGA    A    17_A      A    17_A     1.199     0    0.038   0.046     1.305   81.429   81.429
LGA    I    18_A      I    18_A     1.063     0    0.028   0.132     1.352   81.429   84.821
LGA    D    19_A      D    19_A     1.907     0    0.034   0.388     3.381   70.833   67.976
LGA    R    20_A      R    20_A     2.029     0    0.036   1.022     2.563   66.786   68.528
LGA    R    21_A      R    21_A     1.835     0    0.133   1.083     3.980   70.833   68.831
LGA    G    22_A      G    22_A     2.014     0    0.084   0.084     2.014   75.119   75.119
LGA    S    23_A      S    23_A     0.442     0    0.031   0.575     1.620   97.619   93.889
LGA    F    24_A      F    24_A     0.328     0    0.043   0.118     0.946  100.000   95.671
LGA    A    25_A      A    25_A     0.491     0    0.034   0.050     0.699   97.619   96.190
LGA    A    26_A      A    26_A     0.642     0    0.042   0.043     0.999   92.857   92.381
LGA    A    27_A      A    27_A     0.561     0    0.025   0.035     0.788   92.857   92.381
LGA    A    28_A      A    28_A     0.730     0    0.028   0.037     1.254   88.333   88.762
LGA    D    29_A      D    29_A     1.332     0    0.029   0.707     3.899   79.286   72.440
LGA    E    30_A      E    30_A     1.442     0    0.029   0.565     2.524   77.143   72.169
LGA    L    31_A      L    31_A     1.362     0    0.146   0.133     2.059   75.119   82.857
LGA    G    32_A      G    32_A     1.981     0    0.075   0.075     2.163   70.833   70.833
LGA    R    33_A      R    33_A     1.950     0    0.040   1.529     8.325   72.857   49.264
LGA    V    34_A      V    34_A     2.041     0    0.029   0.072     2.633   68.810   64.898
LGA    P    35_A      P    35_A     1.494     0    0.032   0.373     2.480   77.143   72.993
LGA    S    36_A      S    36_A     2.153     0    0.128   0.170     3.624   68.810   62.619
LGA    A    37_A      A    37_A     1.559     0    0.041   0.044     1.760   79.405   78.095
LGA    L    38_A      L    38_A     1.083     0    0.041   0.892     3.044   83.690   78.631
LGA    S    39_A      S    39_A     1.205     0    0.027   0.696     1.822   85.952   83.016
LGA    Y    40_A      Y    40_A     0.777     0    0.029   0.075     0.915   90.476   93.651
LGA    T    41_A      T    41_A     0.427     0    0.031   0.073     0.627   97.619   97.279
LGA    M    42_A      M    42_A     0.772     0    0.033   0.701     1.885   90.476   86.012
LGA    Q    43_A      Q    43_A     0.672     0    0.041   0.724     3.525   90.476   72.540
LGA    K    44_A      K    44_A     1.102     0    0.060   0.798     6.634   83.690   64.074
LGA    L    45_A      L    45_A     1.320     0    0.038   1.087     3.000   81.429   77.500
LGA    E    46_A      E    46_A     1.203     0    0.026   0.467     2.062   81.429   79.577
LGA    E    47_A      E    47_A     1.176     0    0.044   0.840     3.495   81.429   71.693
LGA    E    48_A      E    48_A     1.838     0    0.102   0.731     5.246   72.857   53.016
LGA    L    49_A      L    49_A     1.713     0    0.130   0.160     2.711   79.405   71.190
LGA    D    50_A      D    50_A     1.039     0    0.081   0.106     1.346   83.690   83.690
LGA    V    51_A      V    51_A     0.991     0    0.055   0.188     1.639   83.810   81.565
LGA    V    52_A      V    52_A     0.786     0    0.029   0.098     1.214   90.476   86.599
LGA    L    53_A      L    53_A     0.745     0    0.108   0.145     1.101   90.476   89.345
LGA    F    54_A      F    54_A     0.744     0    0.044   0.081     2.981   85.952   73.377
LGA    D    55_A      D    55_A     1.792     0    0.036   1.153     3.762   70.952   67.202
LGA    R    56_A      R    56_A     4.400     0    0.548   0.809     7.537   40.238   25.325
LGA    S    57_A      S    57_A     5.500     0    0.089   0.638     6.740   19.286   18.651
LGA    R    60_A      R    60_A     2.647     6    0.120   0.137     3.148   57.262   26.710
LGA    T    61_A      T    61_A     0.694     0    0.141   1.199     2.495   92.976   83.265
LGA    K    62_A      K    62_A     0.392     0    0.082   0.877     2.869  100.000   87.196
LGA    F    63_A      F    63_A     0.895     0    0.032   1.269     8.179   90.476   52.771
LGA    T    64_A      T    64_A     0.680     0    0.077   0.969     2.294   88.214   81.837
LGA    N    65_A      N    65_A     1.116     0    0.064   0.841     2.468   83.690   78.393
LGA    V    66_A      V    66_A     1.196     0    0.033   0.135     1.477   81.429   81.429
LGA    G    67_A      G    67_A     1.291     0    0.028   0.028     1.408   81.429   81.429
LGA    R    68_A      R    68_A     1.460     0    0.066   0.999     6.341   81.429   58.182
LGA    M    69_A      M    69_A     1.479     0    0.035   0.748     4.232   77.143   63.452
LGA    L    70_A      L    70_A     1.509     0    0.037   1.057     3.807   75.000   71.369
LGA    L    71_A      L    71_A     1.530     0    0.050   1.139     3.588   77.143   71.369
LGA    E    72_A      E    72_A     1.672     0    0.059   0.380     4.607   75.000   60.741
LGA    R    73_A      R    73_A     1.370     0    0.108   1.357     4.637   85.952   66.797
LGA    G    74_A      G    74_A     0.519     0    0.089   0.089     0.594   95.238   95.238
LGA    R    75_A      R    75_A     0.613     0    0.042   1.370     3.457   90.476   71.688
LGA    V    76_A      V    76_A     0.379     0    0.028   1.113     2.684   97.619   87.483
LGA    L    77_A      L    77_A     0.233     0    0.033   0.922     3.155  100.000   85.000
LGA    L    78_A      L    78_A     0.389     0    0.022   0.119     1.205  100.000   92.976
LGA    E    79_A      E    79_A     0.714     0    0.030   0.885     3.963   90.476   77.037
LGA    A    80_A      A    80_A     0.710     0    0.066   0.066     1.153   88.214   88.667
LGA    A    81_A      A    81_A     0.542     0    0.038   0.041     0.618   90.476   92.381
LGA    D    82_A      D    82_A     0.825     0    0.031   0.899     3.069   88.214   76.786
LGA    K    83_A      K    83_A     1.135     0    0.047   1.298     5.081   83.690   71.111
LGA    L    84_A      L    84_A     0.950     0    0.044   1.120     3.090   88.214   80.119
LGA    T    85_A      T    85_A     0.838     0    0.035   1.090     2.938   85.952   79.456
LGA    T    86_A      T    86_A     1.497     0    0.042   1.138     3.714   77.143   73.605
LGA    D    87_A      D    87_A     1.555     0    0.028   0.876     2.864   75.000   70.060
LGA    A    88_A      A    88_A     1.230     0    0.034   0.042     1.367   81.429   81.429
LGA    E    89_A      E    89_A     1.335     0    0.054   0.571     2.861   81.429   77.778
LGA    A    90_A      A    90_A     1.334     0    0.034   0.043     1.568   79.286   79.714
LGA    L    91_A      L    91_A     1.574     0    0.041   1.119     4.633   72.857   66.667
LGA    A    92_A      A    92_A     1.687     0    0.050   0.054     1.876   72.857   72.857
LGA    R    93_A      R    93_A     2.019     0    0.052   0.990     3.447   66.786   65.022
LGA    L    94_A      L    94_A     2.048     0    0.284   1.418     5.891   54.524   43.274
LGA    E    95_A      E    95_A     8.184     0    0.306   0.848    13.538    8.929    4.021
LGA    H    96_A      H    96_A     6.717     0    0.601   1.186     7.933   11.786   20.714
LGA    H    97_A      H    97_A     7.223     0    0.108   1.335     8.863   14.405   11.667
LGA    H    98_A      H    98_A     6.232     0    0.056   1.049     9.694    8.929   13.095
LGA    H    99_A      H    99_A    11.091     0    0.079   1.128    12.491    0.714    0.286

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:       96     384    384  100.00     752    752  100.00                96
SUMMARY(RMSD_GDC):     2.802          2.776                  3.595           75.060   68.889

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     87    1.48    78.125    86.183     5.504

LGA_LOCAL      RMSD:   1.481  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.883  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   2.802  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.506971 * X  +  -0.718220 * Y  +   0.476592 * Z  +  30.631691
  Y_new =   0.702098 * X  +  -0.664836 * Y  +  -0.255051 * Z  +  61.000946
  Z_new =   0.500038 * X  +   0.205311 * Y  +   0.841314 * Z  + -14.570361 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.196188 -0.523643  0.239358   [DEG:  125.8323  -30.0025   13.7142 ]
ZXZ:  1.079422  0.571087  1.181193   [DEG:   61.8463   32.7209   67.6774 ]
 
# END of job
