
#######################################################
#                                                     #
#                        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  111 (  795),  selected  105 , name one
# Molecule2: number of CA atoms  105 (  764),  selected  105 , name two
# PARAMETERS: input.pdb  -ie  -3  -d:4  -sda  -swap  -ch1:B  -ch2:B  
# FIXED Atom-Atom correspondence
# GDT and LCS analysis 

LCS - RMSD CUTOFF   5.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   105       7_B - 111_B       2.86     2.86
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       8_B - 108_B       1.99     2.99
  LCS_AVERAGE:     93.41

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    70      13_B - 82_B        1.00     3.02
  LCS_AVERAGE:     51.01

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  105
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     E     7_B     E     7_B      8   83  105      6    6   16   33   60   76   91   96   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     P     8_B     P     8_B     15  101  105      6    9   33   61   84   93   94   96   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K     9_B     K     9_B     15  101  105      6   23   62   86   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    10_B     V    10_B     43  101  105      6   19   50   86   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Y    11_B     Y    11_B     44  101  105     14   60   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    12_B     A    12_B     44  101  105     13   60   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     P    13_B     P    13_B     70  101  105     13   66   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    14_B     V    14_B     70  101  105     30   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T    15_B     T    15_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T    16_B     T    16_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    17_B     G    17_B     70  101  105     14   53   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    18_B     A    18_B     70  101  105     21   67   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     D    19_B     D    19_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    20_B     G    20_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K    21_B     K    21_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     L    22_B     L    22_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     S    23_B     S    23_B     70  101  105      3    5   77   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     L    24_B     L    24_B     70  101  105      3   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     S    25_B     S    25_B     70  101  105      4   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    26_B     V    26_B     70  101  105     36   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    27_B     G    27_B     70  101  105      3   31   63   86   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    28_B     G    28_B     70  101  105      3   44   81   87   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Y    29_B     Y    29_B     70  101  105     38   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K    30_B     K    30_B     70  101  105     35   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K    31_B     K    31_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T    32_B     T    32_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     F    33_B     F    33_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T    34_B     T    34_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K    35_B     K    35_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    36_B     V    36_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     D    37_B     D    37_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    38_B     A    38_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    39_B     A    39_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T    40_B     T    40_B     70  101  105     38   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K    41_B     K    41_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    42_B     A    42_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     P    43_B     P    43_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     L    44_B     L    44_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    45_B     A    45_B     70  101  105     32   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    46_B     G    46_B     70  101  105     23   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    47_B     A    47_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    48_B     V    48_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     F    49_B     F    49_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Q    50_B     Q    50_B     70  101  105     20   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    51_B     V    51_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    52_B     V    52_B     70  101  105     33   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     E    53_B     E    53_B     70  101  105     14   64   82   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K    54_B     K    54_B     70  101  105     14   33   72   88   91   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     D    55_B     D    55_B     70  101  105      7   33   58   87   91   92   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    56_B     G    56_B     70  101  105      7   20   61   87   91   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     D    57_B     D    57_B     70  101  105      9   47   81   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     I    58_B     I    58_B     70  101  105     28   67   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T    59_B     T    59_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     L    60_B     L    60_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Y    61_B     Y    61_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     E    62_B     E    62_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     L    63_B     L    63_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     S    64_B     S    64_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     S    65_B     S    65_B     70  101  105     38   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     P    66_B     P    66_B     70  101  105     18   66   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    67_B     A    67_B     70  101  105     19   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    68_B     G    68_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Y    69_B     Y    69_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    70_B     V    70_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     P    71_B     P    71_B     70  101  105      4   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    72_B     V    72_B     70  101  105      6   67   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T    73_B     T    73_B     70  101  105     30   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     N    74_B     N    74_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K    75_B     K    75_B     70  101  105     11   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     P    76_B     P    76_B     70  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     I    77_B     I    77_B     70  101  105     38   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Y    78_B     Y    78_B     70  101  105     38   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     N    79_B     N    79_B     70  101  105     32   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     I    80_B     I    80_B     70  101  105     20   67   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     S    81_B     S    81_B     70  101  105     18   67   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T    82_B     T    82_B     70  101  105     33   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    83_B     G    83_B     59  101  105     12   59   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     E    84_B     E    84_B     59  101  105     20   61   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    85_B     A    85_B     59  101  105     19   64   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     F    86_B     F    86_B     59  101  105      4   35   78   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     D    87_B     D    87_B      6  101  105      3    4   13   29   67   86   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     S    88_B     S    88_B      6  101  105      3    8   15   42   75   91   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    89_B     A    89_B      3  101  105      3    3    4    4    5   36   64   86   94   97   98  101  101  101  102  103  103  103  104  104 
LCS_GDT     A    90_B     A    90_B      3  101  105      3    3    4    4    4    5    6   29   34   39   84   93   97  101  101  102  102  102  104  104 
LCS_GDT     A    91_B     A    91_B      3  101  105      3    3    4    5   14   33   60   81   93   98   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     S    92_B     S    92_B     17  101  105     22   60   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    93_B     V    93_B     17  101  105     22   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     V    94_B     V    94_B     17  101  105     24   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     K    95_B     K    95_B     17  101  105     24   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     E    96_B     E    96_B     17  101  105     24   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     D    97_B     D    97_B     17  101  105     22   51   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     G    98_B     G    98_B     17  101  105     24   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Q    99_B     Q    99_B     17  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Y   100_B     Y   100_B     17  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     Y   101_B     Y   101_B     17  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     I   102_B     I   102_B     17  101  105     38   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T   103_B     T   103_B     17  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     N   104_B     N   104_B     17  101  105     22   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     T   105_B     T   105_B     17  101  105     22   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A   106_B     A   106_B     17  101  105     31   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A   107_B     A   107_B     17  101  105     39   68   83   88   92   93   96   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     L   108_B     L   108_B     17  101  105      0   40   72   87   92   93   95   97   98   99   99  101  101  101  102  103  103  103  104  104 
LCS_GDT     A   109_B     A   109_B      3    5  105      3    4    4    5    6    7    8   42   46   81   86   93   97  101  102  103  103  103  104  104 
LCS_GDT     A   110_B     A   110_B      3    5  105      3    3    4    5   23   31   58   68   74   81   86   93  100  101  102  103  103  103  104  104 
LCS_GDT     A   111_B     A   111_B      3    5  105      3    3    3    5    6    6    8   11   12   52   64   67   71   74   81   96  102  102  102  104 
LCS_AVERAGE  LCS_A:  81.48  (  51.01   93.41  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     39     68     83     88     92     93     96     97     98     99     99    101    101    101    102    103    103    103    104    104 
GDT PERCENT_AT  37.14  64.76  79.05  83.81  87.62  88.57  91.43  92.38  93.33  94.29  94.29  96.19  96.19  96.19  97.14  98.10  98.10  98.10  99.05  99.05
GDT RMS_LOCAL    0.35   0.59   0.77   0.89   1.07   1.10   1.33   1.35   1.42   1.56   1.56   1.83   1.83   1.83   2.08   2.27   2.27   2.27   2.49   2.49
GDT RMS_ALL_AT   3.00   3.00   2.98   3.01   2.93   2.94   2.98   2.96   2.95   2.92   2.92   2.94   2.94   2.94   2.89   2.87   2.87   2.87   2.88   2.88

# Checking swapping
#   possible swapping detected:  F    33_B      F    33_B
#   possible swapping detected:  F    49_B      F    49_B
#   possible swapping detected:  E    62_B      E    62_B
#   possible swapping detected:  Y    69_B      Y    69_B
#   possible swapping detected:  Y    78_B      Y    78_B
#   possible swapping detected:  E    84_B      E    84_B
#   possible swapping detected:  Y   100_B      Y   100_B
#   possible swapping detected:  Y   101_B      Y   101_B

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_B      E     7_B     6.868     0    0.059   1.620    12.946   17.738    9.312
LGA    P     8_B      P     8_B     4.742     0    0.073   0.098     6.525   31.786   26.259
LGA    K     9_B      K     9_B     3.418     0    0.039   0.848     3.659   52.024   53.333
LGA    V    10_B      V    10_B     3.249     0    0.009   0.066     5.162   51.786   43.946
LGA    Y    11_B      Y    11_B     1.383     0    0.052   0.234     1.788   79.286   81.587
LGA    A    12_B      A    12_B     1.417     0    0.022   0.028     1.488   81.429   81.429
LGA    P    13_B      P    13_B     1.232     0    0.052   0.368     1.620   85.952   82.789
LGA    V    14_B      V    14_B     0.623     0    0.063   1.019     2.790   95.238   85.850
LGA    T    15_B      T    15_B     0.420     0    0.060   0.094     1.115   92.976   95.986
LGA    T    16_B      T    16_B     0.443     0    0.021   0.074     0.862   95.238   97.279
LGA    G    17_B      G    17_B     1.320     0    0.072   0.072     1.320   85.952   85.952
LGA    A    18_B      A    18_B     0.902     0    0.021   0.022     1.167   90.476   88.667
LGA    D    19_B      D    19_B     0.435     0    0.124   0.184     1.799  100.000   90.774
LGA    G    20_B      G    20_B     0.312     0    0.015   0.015     0.418  100.000  100.000
LGA    K    21_B      K    21_B     0.459     0    0.052   0.904     2.674   97.619   89.206
LGA    L    22_B      L    22_B     0.409     0    0.089   1.010     4.392   92.976   81.726
LGA    S    23_B      S    23_B     2.005     0    0.264   0.265     4.209   75.119   64.603
LGA    L    24_B      L    24_B     1.029     0    0.048   0.084     1.561   83.690   81.488
LGA    S    25_B      S    25_B     0.957     0    0.260   0.715     3.218   88.214   80.714
LGA    V    26_B      V    26_B     0.698     0    0.094   0.112     1.790   85.952   81.565
LGA    G    27_B      G    27_B     2.941     0    0.631   0.631     5.360   51.548   51.548
LGA    G    28_B      G    28_B     2.051     0    0.076   0.076     2.051   70.833   70.833
LGA    Y    29_B      Y    29_B     0.778     0    0.499   0.801     3.085   78.095   82.619
LGA    K    30_B      K    30_B     0.779     0    0.028   0.264     4.587   97.619   75.926
LGA    K    31_B      K    31_B     0.384     0    0.084   0.410     1.313  100.000   93.704
LGA    T    32_B      T    32_B     0.461     0    0.059   1.082     3.096  100.000   86.463
LGA    F    33_B      F    33_B     0.350     0    0.026   0.185     1.491  100.000   91.515
LGA    T    34_B      T    34_B     0.454     0    0.015   0.055     0.602   97.619   97.279
LGA    K    35_B      K    35_B     0.274     0    0.038   0.471     1.140   97.619   92.751
LGA    V    36_B      V    36_B     0.311     0    0.033   0.037     0.466  100.000  100.000
LGA    D    37_B      D    37_B     0.486     0    0.014   0.500     1.622  100.000   93.036
LGA    A    38_B      A    38_B     0.439     0    0.030   0.040     0.535   97.619   98.095
LGA    A    39_B      A    39_B     0.712     0    0.089   0.086     0.845   90.476   90.476
LGA    T    40_B      T    40_B     0.808     0    0.006   0.077     0.857   90.476   90.476
LGA    K    41_B      K    41_B     0.481     0    0.111   1.366     6.971   95.238   74.392
LGA    A    42_B      A    42_B     0.487     0    0.015   0.024     0.756  100.000   98.095
LGA    P    43_B      P    43_B     0.301     0    0.015   0.350     1.355  100.000   95.986
LGA    L    44_B      L    44_B     0.317     0    0.164   0.183     0.712   97.619   98.810
LGA    A    45_B      A    45_B     0.644     0    0.036   0.048     0.689   90.476   90.476
LGA    G    46_B      G    46_B     0.844     0    0.060   0.060     0.844   90.476   90.476
LGA    A    47_B      A    47_B     0.329     0    0.090   0.113     0.502   97.619   98.095
LGA    V    48_B      V    48_B     0.132     0    0.038   0.076     0.389  100.000  100.000
LGA    F    49_B      F    49_B     0.435     0    0.046   0.102     0.787   95.238   93.939
LGA    Q    50_B      Q    50_B     0.876     0    0.028   0.460     2.386   95.238   81.058
LGA    V    51_B      V    51_B     0.441     0    0.000   1.212     2.907   97.619   87.279
LGA    V    52_B      V    52_B     0.562     0    0.141   1.076     3.434   92.857   84.762
LGA    E    53_B      E    53_B     1.723     0    0.067   0.911     3.604   72.976   65.238
LGA    K    54_B      K    54_B     2.501     0    0.021   1.078     7.931   57.262   43.439
LGA    D    55_B      D    55_B     3.263     0    0.066   0.119     3.590   50.119   50.060
LGA    G    56_B      G    56_B     3.142     0    0.264   0.264     3.874   48.333   48.333
LGA    D    57_B      D    57_B     1.994     0    0.113   0.484     2.424   68.810   69.821
LGA    I    58_B      I    58_B     1.084     0    0.039   0.643     3.187   81.429   77.500
LGA    T    59_B      T    59_B     0.545     0    0.058   1.120     2.821   95.238   84.762
LGA    L    60_B      L    60_B     0.383     0    0.022   0.122     0.661   97.619   96.429
LGA    Y    61_B      Y    61_B     0.183     0    0.067   0.200     1.169  100.000   95.278
LGA    E    62_B      E    62_B     0.334     0    0.035   0.221     0.618  100.000   97.884
LGA    L    63_B      L    63_B     0.239     0    0.048   1.140     2.557  100.000   89.048
LGA    S    64_B      S    64_B     0.237     0    0.056   0.609     1.754   97.619   93.889
LGA    S    65_B      S    65_B     0.421     0    0.034   0.647     1.814   95.238   90.714
LGA    P    66_B      P    66_B     0.983     0    0.019   0.069     1.291   92.857   87.959
LGA    A    67_B      A    67_B     0.956     0    0.014   0.024     1.282   88.214   86.857
LGA    G    68_B      G    68_B     0.349     0    0.055   0.055     0.538   97.619   97.619
LGA    Y    69_B      Y    69_B     0.197     0    0.067   0.156     0.691  100.000   94.444
LGA    V    70_B      V    70_B     0.134     0    0.016   0.070     0.556  100.000   98.639
LGA    P    71_B      P    71_B     0.768     0    0.091   0.097     1.140   95.238   90.612
LGA    V    72_B      V    72_B     1.104     0    0.022   0.333     1.585   85.952   82.789
LGA    T    73_B      T    73_B     0.757     0    0.077   0.973     1.845   95.238   86.871
LGA    N    74_B      N    74_B     0.310     0    0.020   0.874     2.304   97.619   86.488
LGA    K    75_B      K    75_B     1.026     0    0.093   1.041     7.428   88.214   60.053
LGA    P    76_B      P    76_B     0.577     0    0.037   0.096     1.140   92.857   89.252
LGA    I    77_B      I    77_B     0.386     0    0.171   1.536     3.227   97.619   82.798
LGA    Y    78_B      Y    78_B     0.400     0    0.052   0.188     1.080   97.619   92.937
LGA    N    79_B      N    79_B     0.715     0    0.047   0.265     1.542   90.595   86.071
LGA    I    80_B      I    80_B     1.156     0    0.024   0.592     2.073   81.429   79.345
LGA    S    81_B      S    81_B     1.386     0    0.025   0.036     1.894   81.429   78.571
LGA    T    82_B      T    82_B     0.633     0    0.053   0.054     0.893   90.476   93.197
LGA    G    83_B      G    83_B     1.324     0    0.164   0.164     1.978   79.286   79.286
LGA    E    84_B      E    84_B     1.357     0    0.031   0.058     3.862   81.429   64.921
LGA    A    85_B      A    85_B     1.028     0    0.021   0.025     1.520   79.286   81.524
LGA    F    86_B      F    86_B     2.080     0    0.146   0.155     3.223   61.190   71.905
LGA    D    87_B      D    87_B     4.591     0    0.626   1.118     8.001   42.024   26.429
LGA    S    88_B      S    88_B     4.416     0    0.652   0.611     6.379   35.833   31.111
LGA    A    89_B      A    89_B     7.258     0    0.164   0.176     9.217    8.333    6.952
LGA    A    90_B      A    90_B    10.607     0    0.022   0.040    12.687    1.071    0.857
LGA    A    91_B      A    91_B     6.903     0    0.670   0.606     8.257   19.048   16.190
LGA    S    92_B      S    92_B     1.495     0    0.692   0.889     2.889   75.357   70.556
LGA    V    93_B      V    93_B     1.141     0    0.015   0.085     1.856   79.286   77.755
LGA    V    94_B      V    94_B     1.254     0    0.048   1.091     3.362   83.690   77.007
LGA    K    95_B      K    95_B     1.136     0    0.029   0.141     1.451   81.429   85.450
LGA    E    96_B      E    96_B     1.202     0    0.441   0.895     5.013   77.619   59.259
LGA    D    97_B      D    97_B     1.646     0    0.192   0.151     2.281   72.976   69.881
LGA    G    98_B      G    98_B     0.923     0    0.034   0.034     1.173   92.976   92.976
LGA    Q    99_B      Q    99_B     0.432     0    0.049   1.033     3.164   97.619   81.693
LGA    Y   100_B      Y   100_B     0.387     0    0.037   0.066     1.120  100.000   91.389
LGA    Y   101_B      Y   101_B     0.298     0    0.014   0.040     0.966   95.238   93.651
LGA    I   102_B      I   102_B     0.628     0    0.015   0.097     1.109   92.857   90.536
LGA    T   103_B      T   103_B     0.588     0    0.051   0.200     0.822   90.476   91.837
LGA    N   104_B      N   104_B     0.901     1    0.009   0.511     1.532   90.476   74.702
LGA    T   105_B      T   105_B     1.155     0    0.012   0.073     1.622   85.952   82.789
LGA    A   106_B      A   106_B     0.876     0    0.009   0.019     1.027   88.214   88.667
LGA    A   107_B      A   107_B     0.736     0    0.651   0.583     3.473   75.952   78.857
LGA    L   108_B      L   108_B     2.560     0    0.614   1.501     6.606   42.381   54.821
LGA    A   109_B      A   109_B     9.980     0    0.476   0.500    12.213    2.857    2.286
LGA    A   110_B      A   110_B    10.472     0    0.609   0.554    12.039    0.000    0.095
LGA    A   111_B      A   111_B    15.927     0    0.062   0.080    18.643    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      105     420    420  100.00     764    764  100.00               105
SUMMARY(RMSD_GDC):     2.859          2.809                  2.901           80.745   76.484

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  111  105    4.0     97    1.35    84.762    89.177     6.697

LGA_LOCAL      RMSD:   1.348  Number of atoms:   97  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.963  Number of assigned atoms:  105 
Std_ASGN_ATOMS RMSD:   2.859  Standard rmsd on all 105 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.005323 * X  +  -0.922351 * Y  +   0.386317 * Z  +  17.992289
  Y_new =   0.892222 * X  +  -0.178833 * Y  +  -0.414680 * Z  + -53.758610
  Z_new =   0.451567 * X  +   0.342473 * Y  +   0.823893 * Z  + -13.909433 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  1.576762 -0.468520  0.393947   [DEG:   90.3418  -26.8442   22.5715 ]
ZXZ:  0.750003  0.602550  0.921934   [DEG:   42.9720   34.5236   52.8229 ]
 
# END of job
