
#######################################################
#                                                     #
#                        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        3.30     3.30
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    90       5_A - 96_A        1.94     3.41
  LONGEST_CONTINUOUS_SEGMENT:    90       6_A - 97_A        1.98     3.40
  LCS_AVERAGE:     90.01

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48       8_A - 55_A        0.96     3.66
  LCS_AVERAGE:     40.52

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    3    4    5    5    5    5    6   13   13   15   55   58   64   73   76   82   83   93 
LCS_GDT     K     3_A     K     3_A      3    4   96      3    3    3   17   24   32   34   54   58   62   67   82   90   92   93   94   94   95   95   95 
LCS_GDT     E     4_A     E     4_A      4    5   96      3    3    4   21   33   47   62   71   82   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     R     5_A     R     5_A      4   90   96      3    3    5    5    7   26   63   79   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     A     6_A     A     6_A      4   90   96      3    3    5    5    7   12   12   17   26   49   70   84   90   92   93   94   94   95   95   95 
LCS_GDT     L     7_A     L     7_A      4   90   96      3    3   13   26   40   52   64   75   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     T     8_A     T     8_A     48   90   96     13   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     L     9_A     L     9_A     48   90   96     13   55   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     E    10_A     E    10_A     48   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     A    11_A     A    11_A     48   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     L    12_A     L    12_A     48   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     R    13_A     R    13_A     48   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     V    14_A     V    14_A     48   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     M    15_A     M    15_A     48   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     D    16_A     D    16_A     48   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     A    17_A     A    17_A     48   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     I    18_A     I    18_A     48   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     D    19_A     D    19_A     48   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     R    20_A     R    20_A     48   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     R    21_A     R    21_A     48   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     G    22_A     G    22_A     48   90   96     23   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     S    23_A     S    23_A     48   90   96     23   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     F    24_A     F    24_A     48   90   96     20   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     A    25_A     A    25_A     48   90   96     11   52   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     A    26_A     A    26_A     48   90   96     11   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     A    27_A     A    27_A     48   90   96     19   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     A    28_A     A    28_A     48   90   96     11   58   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     D    29_A     D    29_A     48   90   96     11   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     E    30_A     E    30_A     48   90   96     23   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     L    31_A     L    31_A     48   90   96     11   52   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     G    32_A     G    32_A     48   90   96     11   52   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     R    33_A     R    33_A     48   90   96     11   46   73   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     V    34_A     V    34_A     48   90   96     11   42   70   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     P    35_A     P    35_A     48   90   96     12   46   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     S    36_A     S    36_A     48   90   96     11   39   74   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     A    37_A     A    37_A     48   90   96     14   46   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     L    38_A     L    38_A     48   90   96     14   57   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     S    39_A     S    39_A     48   90   96     17   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     Y    40_A     Y    40_A     48   90   96     23   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     T    41_A     T    41_A     48   90   96     26   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     M    42_A     M    42_A     48   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     Q    43_A     Q    43_A     48   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     K    44_A     K    44_A     48   90   96     12   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     L    45_A     L    45_A     48   90   96     12   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     E    46_A     E    46_A     48   90   96     15   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     E    47_A     E    47_A     48   90   96     12   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     E    48_A     E    48_A     48   90   96     12   36   65   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     L    49_A     L    49_A     48   90   96     12   31   64   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     D    50_A     D    50_A     48   90   96     14   47   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     V    51_A     V    51_A     48   90   96      5   42   73   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     V    52_A     V    52_A     48   90   96     22   51   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     L    53_A     L    53_A     48   90   96     22   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     F    54_A     F    54_A     48   90   96     12   53   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     D    55_A     D    55_A     48   90   96      6   35   73   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     R    56_A     R    56_A     24   90   96      3    6   15   29   55   75   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     S    57_A     S    57_A      6   90   96      0    6   16   29   52   71   81   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     R    60_A     R    60_A     37   90   96      6   33   67   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     T    61_A     T    61_A     37   90   96     17   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     K    62_A     K    62_A     37   90   96     17   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     F    63_A     F    63_A     37   90   96     17   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     T    64_A     T    64_A     37   90   96     17   58   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     N    65_A     N    65_A     37   90   96     17   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     V    66_A     V    66_A     37   90   96     17   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     G    67_A     G    67_A     37   90   96     20   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     R    68_A     R    68_A     37   90   96     11   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     M    69_A     M    69_A     37   90   96     20   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     L    70_A     L    70_A     37   90   96     18   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     L    71_A     L    71_A     37   90   96     18   57   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     E    72_A     E    72_A     37   90   96     13   33   65   78   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     R    73_A     R    73_A     37   90   96     12   31   57   75   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     G    74_A     G    74_A     37   90   96     20   51   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     R    75_A     R    75_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     V    76_A     V    76_A     37   90   96     29   51   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     L    77_A     L    77_A     37   90   96     22   51   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     L    78_A     L    78_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     E    79_A     E    79_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     A    80_A     A    80_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     A    81_A     A    81_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     D    82_A     D    82_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     K    83_A     K    83_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     L    84_A     L    84_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     T    85_A     T    85_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     T    86_A     T    86_A     37   90   96     28   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     D    87_A     D    87_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     A    88_A     A    88_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     E    89_A     E    89_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     A    90_A     A    90_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     L    91_A     L    91_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     A    92_A     A    92_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     R    93_A     R    93_A     37   90   96     17   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     L    94_A     L    94_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     E    95_A     E    95_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     H    96_A     H    96_A     37   90   96     30   59   75   82   85   85   86   87   87   89   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     H    97_A     H    97_A      3   90   96      3    4    4    4    5   49   73   80   85   87   91   91   91   92   93   94   94   95   95   95 
LCS_GDT     H    98_A     H    98_A      3   89   96      3    4    4    4    5    6    6    8   10   64   73   82   87   90   92   94   94   95   95   95 
LCS_GDT     H    99_A     H    99_A      3    3   96      0    3    3    4    5    6    6    8    9   11   16   16   20   24   89   91   91   95   95   95 
LCS_AVERAGE  LCS_A:  76.84  (  40.52   90.01  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     30     59     75     82     85     85     86     87     87     89     91     91     91     92     93     94     94     95     95     95 
GDT PERCENT_AT  31.25  61.46  78.12  85.42  88.54  88.54  89.58  90.62  90.62  92.71  94.79  94.79  94.79  95.83  96.88  97.92  97.92  98.96  98.96  98.96
GDT RMS_LOCAL    0.33   0.69   0.86   0.99   1.09   1.09   1.22   1.36   1.36   1.67   1.98   1.98   1.98   2.28   2.45   2.66   2.66   2.87   2.87   2.87
GDT RMS_ALL_AT   3.46   3.51   3.50   3.52   3.51   3.51   3.50   3.51   3.51   3.45   3.38   3.38   3.38   3.35   3.34   3.31   3.31   3.31   3.31   3.31

# Checking swapping
#   possible swapping detected:  E     4_A      E     4_A
#   possible swapping detected:  E    10_A      E    10_A
#   possible swapping detected:  D    19_A      D    19_A
#   possible swapping detected:  D    29_A      D    29_A
#   possible swapping detected:  E    30_A      E    30_A
#   possible swapping detected:  E    46_A      E    46_A
#   possible swapping detected:  E    47_A      E    47_A
#   possible swapping detected:  E    48_A      E    48_A
#   possible swapping detected:  D    50_A      D    50_A
#   possible swapping detected:  E    72_A      E    72_A
#   possible swapping detected:  E    79_A      E    79_A
#   possible swapping detected:  D    82_A      D    82_A
#   possible swapping detected:  D    87_A      D    87_A
#   possible swapping detected:  E    89_A      E    89_A
#   possible swapping detected:  E    95_A      E    95_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    A     2_A      A     2_A    17.260     0    0.561   0.562    19.899    0.000    0.000
LGA    K     3_A      K     3_A    11.943     0    0.656   1.255    14.075    0.000    0.000
LGA    E     4_A      E     4_A     8.052     0    0.175   0.849     9.565   11.190    8.519
LGA    R     5_A      R     5_A     6.482     0    0.256   1.242    15.218   13.571    6.104
LGA    A     6_A      A     6_A     9.838     0    0.088   0.086    12.231    3.810    3.048
LGA    L     7_A      L     7_A     6.936     0    0.616   0.560    10.952   17.262    9.762
LGA    T     8_A      T     8_A     0.948     0    0.596   1.375     4.100   82.143   67.687
LGA    L     9_A      L     9_A     1.088     0    0.051   0.125     1.911   88.333   81.667
LGA    E    10_A      E    10_A     0.874     0    0.032   1.202     4.353   88.214   74.127
LGA    A    11_A      A    11_A     0.583     0    0.059   0.056     0.722   95.238   94.286
LGA    L    12_A      L    12_A     0.418     0    0.050   0.048     1.123  100.000   94.107
LGA    R    13_A      R    13_A     0.321     0    0.043   1.660     9.140   95.238   58.225
LGA    V    14_A      V    14_A     0.561     0    0.035   0.039     0.729   92.857   91.837
LGA    M    15_A      M    15_A     0.396     0    0.040   0.857     2.590   95.238   89.881
LGA    D    16_A      D    16_A     0.859     0    0.034   0.135     1.657   88.214   84.881
LGA    A    17_A      A    17_A     1.008     0    0.039   0.039     1.095   83.690   83.238
LGA    I    18_A      I    18_A     0.910     0    0.020   0.125     1.025   88.214   89.345
LGA    D    19_A      D    19_A     1.082     0    0.046   0.646     2.231   83.690   82.738
LGA    R    20_A      R    20_A     1.141     0    0.044   0.987     2.573   81.429   78.528
LGA    R    21_A      R    21_A     1.340     0    0.137   1.281     5.628   79.286   68.701
LGA    G    22_A      G    22_A     1.244     0    0.055   0.055     1.301   81.429   81.429
LGA    S    23_A      S    23_A     0.683     0    0.063   0.727     3.047   92.857   85.317
LGA    F    24_A      F    24_A     0.844     0    0.039   0.093     1.739   85.952   81.558
LGA    A    25_A      A    25_A     1.235     0    0.040   0.038     1.379   81.429   81.429
LGA    A    26_A      A    26_A     1.113     0    0.031   0.029     1.266   85.952   85.048
LGA    A    27_A      A    27_A     0.876     0    0.025   0.027     0.957   90.476   90.476
LGA    A    28_A      A    28_A     0.963     0    0.023   0.022     1.023   90.476   88.667
LGA    D    29_A      D    29_A     0.834     0    0.021   0.878     4.037   90.476   77.381
LGA    E    30_A      E    30_A     0.761     0    0.060   0.359     1.817   88.214   83.545
LGA    L    31_A      L    31_A     1.115     0    0.054   0.157     1.740   81.429   80.357
LGA    G    32_A      G    32_A     1.267     0    0.114   0.114     1.323   81.429   81.429
LGA    R    33_A      R    33_A     1.629     0    0.108   1.711     9.064   72.857   48.009
LGA    V    34_A      V    34_A     1.978     0    0.075   1.139     2.878   72.857   67.211
LGA    P    35_A      P    35_A     1.360     0    0.045   0.094     1.799   79.286   76.531
LGA    S    36_A      S    36_A     1.548     0    0.118   0.158     2.529   81.548   74.683
LGA    A    37_A      A    37_A     1.230     0    0.029   0.030     1.455   83.690   83.238
LGA    L    38_A      L    38_A     0.996     0    0.036   1.070     3.554   88.214   77.024
LGA    S    39_A      S    39_A     0.747     0    0.015   0.663     3.137   92.857   85.317
LGA    Y    40_A      Y    40_A     0.592     0    0.037   0.131     0.828   92.857   91.270
LGA    T    41_A      T    41_A     0.380     0    0.038   0.076     0.608  100.000   98.639
LGA    M    42_A      M    42_A     0.258     0    0.025   0.950     3.413  100.000   92.560
LGA    Q    43_A      Q    43_A     0.417     0    0.054   1.014     3.489   97.619   83.333
LGA    K    44_A      K    44_A     0.809     0    0.041   0.757     5.483   90.595   73.386
LGA    L    45_A      L    45_A     0.818     0    0.021   0.059     1.186   88.214   85.952
LGA    E    46_A      E    46_A     0.652     0    0.023   0.090     0.981   90.476   91.534
LGA    E    47_A      E    47_A     0.842     0    0.034   0.274     1.950   85.952   81.587
LGA    E    48_A      E    48_A     1.698     0    0.059   0.147     2.473   72.976   69.312
LGA    L    49_A      L    49_A     1.952     0    0.075   0.189     2.657   70.833   69.881
LGA    D    50_A      D    50_A     1.152     0    0.065   0.844     3.183   79.286   72.321
LGA    V    51_A      V    51_A     1.594     0    0.057   0.075     3.285   79.286   69.864
LGA    V    52_A      V    52_A     1.003     0    0.044   0.092     2.099   83.690   77.891
LGA    L    53_A      L    53_A     0.450     0    0.096   0.131     0.570  100.000   95.238
LGA    F    54_A      F    54_A     0.898     0    0.072   1.502     6.615   85.952   59.957
LGA    D    55_A      D    55_A     1.744     0    0.101   0.749     4.077   67.143   64.583
LGA    R    56_A      R    56_A     4.881     0    0.525   0.987    11.203   35.833   17.489
LGA    S    57_A      S    57_A     5.702     0    0.176   0.265     7.999   20.357   16.984
LGA    R    60_A      R    60_A     2.351     6    0.085   0.089     3.507   59.524   29.048
LGA    T    61_A      T    61_A     0.416     0    0.134   1.133     2.493   92.976   83.265
LGA    K    62_A      K    62_A     0.447     0    0.119   0.988     3.975   95.238   83.915
LGA    F    63_A      F    63_A     0.672     0    0.053   0.172     1.147   88.214   89.697
LGA    T    64_A      T    64_A     0.609     0    0.115   0.105     0.912   95.238   93.197
LGA    N    65_A      N    65_A     0.346     0    0.058   0.197     0.576  100.000   98.810
LGA    V    66_A      V    66_A     0.519     0    0.027   1.167     3.095   97.619   84.014
LGA    G    67_A      G    67_A     0.638     0    0.032   0.032     0.691   90.476   90.476
LGA    R    68_A      R    68_A     0.981     0    0.044   1.204     3.221   88.214   81.905
LGA    M    69_A      M    69_A     1.163     0    0.033   0.914     4.212   83.690   75.952
LGA    L    70_A      L    70_A     0.943     0    0.070   1.400     3.353   85.952   77.738
LGA    L    71_A      L    71_A     1.310     0    0.096   1.401     3.255   81.548   72.440
LGA    E    72_A      E    72_A     2.476     0    0.032   0.056     4.905   64.881   50.317
LGA    R    73_A      R    73_A     2.826     0    0.105   1.020    10.094   62.857   31.342
LGA    G    74_A      G    74_A     1.241     0    0.081   0.081     1.543   83.810   83.810
LGA    R    75_A      R    75_A     0.807     0    0.058   0.990     3.140   90.476   77.489
LGA    V    76_A      V    76_A     1.550     0    0.021   0.073     2.450   79.286   73.061
LGA    L    77_A      L    77_A     1.305     0    0.010   0.921     3.839   85.952   74.821
LGA    L    78_A      L    78_A     0.386     0    0.026   0.073     0.896   97.619   96.429
LGA    E    79_A      E    79_A     0.728     0    0.020   0.194     1.877   90.476   85.503
LGA    A    80_A      A    80_A     1.024     0    0.047   0.050     1.484   88.214   86.857
LGA    A    81_A      A    81_A     0.655     0    0.022   0.023     0.837   95.238   94.286
LGA    D    82_A      D    82_A     0.458     0    0.034   1.210     4.569  100.000   78.631
LGA    K    83_A      K    83_A     0.451     0    0.022   1.127     5.500  100.000   76.825
LGA    L    84_A      L    84_A     0.601     0    0.042   1.412     3.837   97.619   82.738
LGA    T    85_A      T    85_A     0.566     0    0.034   0.038     0.897   95.238   93.197
LGA    T    86_A      T    86_A     0.515     0    0.051   0.075     1.066   97.619   93.265
LGA    D    87_A      D    87_A     0.251     0    0.030   0.137     1.122  100.000   94.107
LGA    A    88_A      A    88_A     0.782     0    0.006   0.007     0.999   92.857   92.381
LGA    E    89_A      E    89_A     1.044     0    0.024   0.223     1.821   88.214   81.587
LGA    A    90_A      A    90_A     0.344     0    0.014   0.018     0.572   97.619   98.095
LGA    L    91_A      L    91_A     0.722     0    0.063   1.425     3.523   88.214   75.952
LGA    A    92_A      A    92_A     1.272     0    0.031   0.031     1.442   81.429   81.429
LGA    R    93_A      R    93_A     1.507     0    0.034   1.034     3.934   77.143   65.844
LGA    L    94_A      L    94_A     1.335     0    0.120   0.138     2.108   75.119   81.667
LGA    E    95_A      E    95_A     1.554     0    0.217   0.840     5.456   72.976   59.418
LGA    H    96_A      H    96_A     1.778     0    0.465   0.539     9.493   56.548   31.333
LGA    H    97_A      H    97_A     7.808     0    0.584   1.200    13.024    9.762    4.095
LGA    H    98_A      H    98_A    11.207     0    0.584   1.227    13.256    0.119    0.048
LGA    H    99_A      H    99_A    11.828     0    0.669   0.556    13.312    0.000    0.000

# 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):     3.301          3.252                  3.963           77.897   70.959

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  101   96    4.0     87    1.36    83.854    87.683     5.955

LGA_LOCAL      RMSD:   1.361  Number of atoms:   87  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.506  Number of assigned atoms:   96 
Std_ASGN_ATOMS RMSD:   3.301  Standard rmsd on all 96 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.222614 * X  +  -0.919395 * Y  +   0.324278 * Z  +  45.815292
  Y_new =   0.892768 * X  +  -0.325884 * Y  +  -0.311070 * Z  +  39.519245
  Z_new =   0.391673 * X  +   0.220256 * Y  +   0.893353 * Z  + -16.288328 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.815166 -0.402449  0.241729   [DEG:  104.0014  -23.0586   13.8501 ]
ZXZ:  0.806184  0.466044  1.058523   [DEG:   46.1909   26.7024   60.6489 ]
 
# END of job
