
#######################################################
#                                                     #
#                        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  124 ( 1049),  selected  103 , name one
# Molecule2: number of CA atoms  106 (  891),  selected  103 , 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:   103      15_A - 117_A       2.62     2.62
  LCS_AVERAGE:     97.17

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101      15_A - 115_A       1.99     2.69
  LCS_AVERAGE:     93.52

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    83      16_A - 98_A        0.99     3.60
  LCS_AVERAGE:     68.01

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  103
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    15_A     G    15_A     43  101  103      3    7   39   81   83   88   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     I    16_A     I    16_A     83  101  103     43   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     N    17_A     N    17_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     R    18_A     R    18_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     K    19_A     K    19_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     A    20_A     A    20_A     83  101  103     48   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     I    21_A     I    21_A     83  101  103     52   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     N    22_A     N    22_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     F    23_A     F    23_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     D    24_A     D    24_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     L    25_A     L    25_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     S    26_A     S    26_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     T    27_A     T    27_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     K    28_A     K    28_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     S    29_A     S    29_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     L    30_A     L    30_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     E    31_A     E    31_A     83  101  103     50   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     K    32_A     K    32_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     Y    33_A     Y    33_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     F    34_A     F    34_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     K    35_A     K    35_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     D    36_A     D    36_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     T    37_A     T    37_A     83  101  103     52   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     R    38_A     R    38_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     E    39_A     E    39_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     P    40_A     P    40_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     Y    41_A     Y    41_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     S    42_A     S    42_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     L    43_A     L    43_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     I    44_A     I    44_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     K    45_A     K    45_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     K    46_A     K    46_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     F    47_A     F    47_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     M    48_A     M    48_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     L    49_A     L    49_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     E    50_A     E    50_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     N    51_A     N    51_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     G    52_A     G    52_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     F    53_A     F    53_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     E    54_A     E    54_A     83  101  103     39   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     H    55_A     H    55_A     83  101  103     44   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     R    56_A     R    56_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     Q    57_A     Q    57_A     83  101  103      3   11   22   35   72   82   93   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     Y    58_A     Y    58_A     83  101  103      3    3    8   11   51   77   94   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     S    59_A     S    59_A     83  101  103      3    3   11   42   62   89   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     G    60_A     G    60_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     Y    61_A     Y    61_A     83  101  103     24   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     T    62_A     T    62_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     S    63_A     S    63_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     K    64_A     K    64_A     83  101  103     48   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     E    65_A     E    65_A     83  101  103     48   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     P    66_A     P    66_A     83  101  103     52   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     I    67_A     I    67_A     83  101  103     48   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     N    68_A     N    68_A     83  101  103     47   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     E    69_A     E    69_A     83  101  103     48   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     R    70_A     R    70_A     83  101  103     48   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     R    71_A     R    71_A     83  101  103     52   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     V    72_A     V    72_A     83  101  103     48   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     I    73_A     I    73_A     83  101  103     49   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     R    74_A     R    74_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     I    75_A     I    75_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     I    76_A     I    76_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     N    77_A     N    77_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     K    78_A     K    78_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     L    79_A     L    79_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     T    80_A     T    80_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     K    81_A     K    81_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     K    82_A     K    82_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     F    83_A     F    83_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     T    84_A     T    84_A     83  101  103     39   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     W    85_A     W    85_A     83  101  103     47   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     L    86_A     L    86_A     83  101  103     46   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     G    87_A     G    87_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     E    88_A     E    88_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     C    89_A     C    89_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     V    90_A     V    90_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     K    91_A     K    91_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     E    92_A     E    92_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     F    93_A     F    93_A     83  101  103     54   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     D    94_A     D    94_A     83  101  103     51   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     I    95_A     I    95_A     83  101  103     28   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     T    96_A     T    96_A     83  101  103     28   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     E    97_A     E    97_A     83  101  103     45   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     I    98_A     I    98_A     83  101  103     50   80   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     G    99_A     G    99_A     45  101  103      5   27   73   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     E   100_A     E   100_A     45  101  103      7   25   73   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     Q   101_A     Q   101_A     45  101  103      7   63   81   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     Y   102_A     Y   102_A     45  101  103      7   33   77   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     S   103_A     S   103_A     45  101  103      7   19   53   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     L   104_A     L   104_A     45  101  103      9   20   74   85   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     K   105_A     K   105_A     33  101  103      9   17   40   82   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     E   106_A     E   106_A     20  101  103      9   19   38   67   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     T   107_A     T   107_A     20  101  103      9   19   52   81   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     I   108_A     I   108_A     20  101  103      9   19   52   82   89   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     Q   109_A     Q   109_A     20  101  103      9   19   35   61   87   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     D   110_A     D   110_A     20  101  103      9   19   35   61   86   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     L   111_A     L   111_A     20  101  103      9   19   38   69   87   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     C   112_A     C   112_A     20  101  103      9   19   35   61   87   94   95   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     A   113_A     A   113_A     19  101  103      4   12   26   42   62   82   93   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     K   114_A     K   114_A     19  101  103      3    4    4   25   50   82   93   99  100  100  100  101  101  101  101  103  103  103  103  103 
LCS_GDT     D   115_A     D   115_A      4  101  103      3    4    4    5    5    6    8   35   58   71   99  101  101  101  101  103  103  103  103  103 
LCS_GDT     F   116_A     F   116_A      4    5  103      3    4    4    5    5    6    7    8   41   47   53   62   71   74   94  103  103  103  103  103 
LCS_GDT     H   117_A     H   117_A      4    5  103      3    4    4    5    5    6    7    8   13   16   24   42   58   93  101  103  103  103  103  103 
LCS_AVERAGE  LCS_A:  86.23  (  68.01   93.52   97.17 )

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     54     80     81     85     89     94     95     99    100    100    100    101    101    101    101    103    103    103    103    103 
GDT PERCENT_AT  50.94  75.47  76.42  80.19  83.96  88.68  89.62  93.40  94.34  94.34  94.34  95.28  95.28  95.28  95.28  97.17  97.17  97.17  97.17  97.17
GDT RMS_LOCAL    0.31   0.47   0.53   0.79   1.09   1.48   1.50   1.79   1.83   1.83   1.83   1.99   1.99   1.99   1.99   2.62   2.62   2.62   2.62   2.62
GDT RMS_ALL_AT   3.71   3.68   3.62   3.37   3.10   2.81   2.86   2.72   2.72   2.72   2.72   2.69   2.69   2.69   2.69   2.62   2.62   2.62   2.62   2.62

# Checking swapping
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  E    31_A      E    31_A
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  E    50_A      E    50_A
#   possible swapping detected:  F    53_A      F    53_A
#   possible swapping detected:  E    65_A      E    65_A
#   possible swapping detected:  E    97_A      E    97_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  D   115_A      D   115_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    G    15_A      G    15_A     3.722     0    0.677   0.677     6.392   40.119   40.119
LGA    I    16_A      I    16_A     1.845     0    0.047   0.138     2.484   68.810   74.048
LGA    N    17_A      N    17_A     1.651     0    0.062   1.120     3.462   77.143   69.167
LGA    R    18_A      R    18_A     1.304     0    0.036   0.499     2.387   81.429   79.134
LGA    K    19_A      K    19_A     1.080     0    0.045   0.453     2.409   81.429   82.593
LGA    A    20_A      A    20_A     1.162     0    0.045   0.051     1.178   81.429   81.429
LGA    I    21_A      I    21_A     1.085     0    0.011   0.074     1.190   81.429   81.429
LGA    N    22_A      N    22_A     0.974     0    0.000   1.117     2.785   90.476   80.833
LGA    F    23_A      F    23_A     0.699     0    0.024   0.064     0.890   90.476   90.476
LGA    D    24_A      D    24_A     0.704     0    0.051   0.146     0.782   90.476   90.476
LGA    L    25_A      L    25_A     0.621     0    0.086   0.124     0.830   92.857   91.667
LGA    S    26_A      S    26_A     0.701     0    0.067   0.098     0.813   90.476   90.476
LGA    T    27_A      T    27_A     1.043     0    0.060   0.063     1.416   83.690   82.721
LGA    K    28_A      K    28_A     0.952     0    0.049   1.056     5.820   90.476   72.910
LGA    S    29_A      S    29_A     0.807     0    0.038   0.081     0.925   90.476   90.476
LGA    L    30_A      L    30_A     0.943     0    0.045   0.104     1.176   85.952   84.821
LGA    E    31_A      E    31_A     1.175     0    0.029   0.117     1.639   81.429   77.619
LGA    K    32_A      K    32_A     0.996     0    0.063   0.920     5.319   88.214   66.984
LGA    Y    33_A      Y    33_A     1.354     0    0.041   0.188     1.592   79.286   81.468
LGA    F    34_A      F    34_A     1.661     0    0.012   0.086     2.044   75.000   72.900
LGA    K    35_A      K    35_A     2.142     0    0.033   0.421     3.395   64.762   60.582
LGA    D    36_A      D    36_A     2.314     0    0.072   0.287     2.903   66.786   61.964
LGA    T    37_A      T    37_A     2.074     0    0.029   0.040     2.124   64.762   65.918
LGA    R    38_A      R    38_A     2.217     0    0.026   1.268     5.435   64.762   58.615
LGA    E    39_A      E    39_A     2.016     0    0.035   0.106     2.551   70.952   66.667
LGA    P    40_A      P    40_A     1.571     0    0.022   0.040     1.742   77.143   76.531
LGA    Y    41_A      Y    41_A     1.572     0    0.068   0.235     2.299   75.000   70.873
LGA    S    42_A      S    42_A     1.804     0    0.036   0.615     3.415   72.857   69.048
LGA    L    43_A      L    43_A     1.581     0    0.025   0.168     1.840   77.143   76.071
LGA    I    44_A      I    44_A     1.201     0    0.018   0.078     1.263   81.429   81.429
LGA    K    45_A      K    45_A     1.421     0    0.015   0.130     2.621   81.429   74.021
LGA    K    46_A      K    46_A     1.572     0    0.026   0.552     2.815   77.143   71.270
LGA    F    47_A      F    47_A     1.223     0    0.031   0.042     1.337   81.429   85.541
LGA    M    48_A      M    48_A     1.046     0    0.017   0.776     3.305   81.429   80.952
LGA    L    49_A      L    49_A     1.231     0    0.055   0.425     2.181   81.429   79.405
LGA    E    50_A      E    50_A     1.142     0    0.046   0.140     2.076   83.690   77.725
LGA    N    51_A      N    51_A     0.626     0    0.058   0.125     0.861   90.476   90.476
LGA    G    52_A      G    52_A     0.616     0    0.054   0.054     0.799   90.476   90.476
LGA    F    53_A      F    53_A     1.057     0    0.017   0.062     1.580   81.548   90.693
LGA    E    54_A      E    54_A     1.903     0    0.038   0.677     2.420   75.000   72.963
LGA    H    55_A      H    55_A     1.461     0    0.028   0.285     2.058   75.000   72.905
LGA    R    56_A      R    56_A     1.479     0    0.440   0.916     2.846   75.119   70.087
LGA    Q    57_A      Q    57_A     4.047     0    0.604   1.318     7.593   35.357   28.307
LGA    Y    58_A      Y    58_A     4.471     0    0.210   1.306    11.409   38.690   19.960
LGA    S    59_A      S    59_A     3.842     0    0.580   0.765     4.684   43.690   39.603
LGA    G    60_A      G    60_A     1.147     0    0.154   0.154     1.214   81.429   81.429
LGA    Y    61_A      Y    61_A     1.419     0    0.136   0.183     1.703   79.286   78.571
LGA    T    62_A      T    62_A     1.201     0    0.025   1.110     2.465   81.429   75.442
LGA    S    63_A      S    63_A     1.044     0    0.028   0.160     1.299   81.429   82.937
LGA    K    64_A      K    64_A     1.423     0    0.050   0.864     2.438   79.286   75.820
LGA    E    65_A      E    65_A     1.413     0    0.039   0.177     1.937   81.429   78.571
LGA    P    66_A      P    66_A     1.418     0    0.089   0.082     1.734   79.286   80.204
LGA    I    67_A      I    67_A     1.181     0    0.055   1.073     2.463   81.429   75.179
LGA    N    68_A      N    68_A     1.247     0    0.016   0.086     1.364   83.690   82.560
LGA    E    69_A      E    69_A     1.164     0    0.044   1.036     5.559   83.690   59.841
LGA    R    70_A      R    70_A     1.063     0    0.055   1.180     5.963   85.952   66.277
LGA    R    71_A      R    71_A     0.184     0    0.050   1.421     8.211   97.619   61.429
LGA    V    72_A      V    72_A     0.605     0    0.018   0.138     1.107   92.857   90.544
LGA    I    73_A      I    73_A     0.976     0    0.111   1.523     4.097   90.476   78.333
LGA    R    74_A      R    74_A     0.769     0    0.019   1.447     5.565   90.476   73.290
LGA    I    75_A      I    75_A     0.381     0    0.030   0.087     0.503   97.619   98.810
LGA    I    76_A      I    76_A     0.314     0    0.045   0.622     2.737   95.238   89.881
LGA    N    77_A      N    77_A     1.023     0    0.095   1.312     2.880   83.690   76.488
LGA    K    78_A      K    78_A     1.176     0    0.031   0.655     2.493   81.429   78.624
LGA    L    79_A      L    79_A     0.905     0    0.021   0.069     1.174   85.952   87.083
LGA    T    80_A      T    80_A     0.981     0    0.044   0.152     1.409   85.952   86.599
LGA    K    81_A      K    81_A     1.590     0    0.035   0.325     2.737   75.000   72.063
LGA    K    82_A      K    82_A     1.666     0    0.041   0.581     3.841   70.833   68.677
LGA    F    83_A      F    83_A     1.487     0    0.021   0.157     2.093   81.429   76.061
LGA    T    84_A      T    84_A     1.841     0    0.107   0.108     2.712   72.857   67.211
LGA    W    85_A      W    85_A     1.345     0    0.081   0.142     1.703   83.690   80.238
LGA    L    86_A      L    86_A     1.140     0    0.017   0.299     1.320   81.429   84.821
LGA    G    87_A      G    87_A     1.110     0    0.053   0.053     1.132   85.952   85.952
LGA    E    88_A      E    88_A     0.785     0    0.113   0.984     2.598   90.476   81.852
LGA    C    89_A      C    89_A     0.872     0    0.084   0.090     0.890   90.476   90.476
LGA    V    90_A      V    90_A     0.687     0    0.032   0.167     0.981   90.476   90.476
LGA    K    91_A      K    91_A     0.715     0    0.073   0.516     2.279   88.214   83.651
LGA    E    92_A      E    92_A     0.676     0    0.025   0.647     1.816   90.476   82.646
LGA    F    93_A      F    93_A     0.678     0    0.097   0.129     1.082   90.476   88.831
LGA    D    94_A      D    94_A     0.542     0    0.023   0.157     0.763   90.476   92.857
LGA    I    95_A      I    95_A     0.721     0    0.015   0.654     2.473   90.476   88.452
LGA    T    96_A      T    96_A     0.914     0    0.024   1.170     3.444   88.214   79.728
LGA    E    97_A      E    97_A     0.945     0    0.010   0.671     3.066   85.952   79.048
LGA    I    98_A      I    98_A     1.039     0    0.078   1.478     3.029   88.214   76.786
LGA    G    99_A      G    99_A     1.834     0    0.445   0.445     3.149   69.286   69.286
LGA    E   100_A      E   100_A     1.737     0    0.067   0.993     2.767   75.119   67.672
LGA    Q   101_A      Q   101_A     0.710     0    0.023   0.733     3.094   88.214   81.958
LGA    Y   102_A      Y   102_A     1.009     0    0.014   0.116     3.311   85.952   70.754
LGA    S   103_A      S   103_A     1.928     0    0.027   0.107     3.312   70.833   65.079
LGA    L   104_A      L   104_A     1.384     0    0.055   0.152     1.762   75.000   81.607
LGA    K   105_A      K   105_A     2.336     0    0.050   0.735     6.621   62.976   49.101
LGA    E   106_A      E   106_A     2.825     0    0.080   1.352     7.207   55.357   37.831
LGA    T   107_A      T   107_A     2.243     0    0.020   0.050     2.395   64.762   67.075
LGA    I   108_A      I   108_A     2.171     0    0.020   0.109     2.653   60.952   64.881
LGA    Q   109_A      Q   109_A     3.453     0    0.037   0.377     4.707   46.905   42.910
LGA    D   110_A      D   110_A     3.919     0    0.024   0.126     4.488   41.786   40.238
LGA    L   111_A      L   111_A     3.193     0    0.049   0.051     3.707   48.333   54.762
LGA    C   112_A      C   112_A     3.648     0    0.391   0.412     4.094   45.119   45.635
LGA    A   113_A      A   113_A     5.617     0    0.195   0.213     6.358   23.810   22.476
LGA    K   114_A      K   114_A     4.997     0    0.512   0.896    12.024   28.810   19.259
LGA    D   115_A      D   115_A     8.440     0    0.122   0.998    11.350    4.524    2.560
LGA    F   116_A      F   116_A    13.623     0    0.632   1.410    23.126    0.000    0.000
LGA    H   117_A      H   117_A    13.040     0    0.200   0.882    20.001    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      103     412    412  100.00     867    867  100.00               106
SUMMARY(RMSD_GDC):     2.622          2.562                  3.481           72.935   69.100

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  124  106    4.0     99    1.79    86.557    89.200     5.229

LGA_LOCAL      RMSD:   1.793  Number of atoms:   99  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.719  Number of assigned atoms:  103 
Std_ASGN_ATOMS RMSD:   2.622  Standard rmsd on all 103 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.123549 * X  +  -0.488656 * Y  +   0.863684 * Z  +  -6.323918
  Y_new =  -0.766967 * X  +  -0.505253 * Y  +  -0.395577 * Z  + -42.170483
  Z_new =   0.629680 * X  +  -0.711291 * Y  +  -0.312359 * Z  +  -2.975605 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.730513 -0.681142 -1.984586   [DEG:  -99.1511  -39.0265 -113.7084 ]
ZXZ:  1.141301  1.888472  2.416979   [DEG:   65.3917  108.2015  138.4827 ]
 
# END of job
