
#######################################################
#                                                     #
#                        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  138 ( 1163),  selected  106 , name one
# Molecule2: number of CA atoms  106 (  891),  selected  106 , 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:   106      12_A - 117_A       3.70     3.70
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    91      16_A - 106_A       1.90     4.50
  LONGEST_CONTINUOUS_SEGMENT:    91      17_A - 107_A       1.96     4.33
  LCS_AVERAGE:     78.08

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41      17_A - 57_A        0.90     5.43
  LCS_AVERAGE:     31.81

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  106
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     Q    12_A     Q    12_A      6    6  106      3    4   29   77   82   83   85   87   87   89   92   94   99  102  103  103  103  103  104  105 
LCS_GDT     D    13_A     D    13_A      6    6  106      3    5    6   21   26   34   64   76   86   88   89   89   91   92   93   95   97   98   99  105 
LCS_GDT     P    14_A     P    14_A      6   89  106      3    5    6    7    7    7   13   13   22   26   30   89   91   92   93   94   97   98  104  105 
LCS_GDT     G    15_A     G    15_A      6   90  106      3    5    6    7    9   34   37   49   56   86   89   89   91   92   93   95   97   98   99  105 
LCS_GDT     I    16_A     I    16_A      6   91  106      3    5   14   22   76   82   85   87   87   89   91   94   99  102  103  103  103  103  104  105 
LCS_GDT     N    17_A     N    17_A     41   91  106     11   56   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     R    18_A     R    18_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     K    19_A     K    19_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     A    20_A     A    20_A     41   91  106     17   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     I    21_A     I    21_A     41   91  106     20   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     N    22_A     N    22_A     41   91  106     13   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     F    23_A     F    23_A     41   91  106     11   51   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     D    24_A     D    24_A     41   91  106      8   55   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     L    25_A     L    25_A     41   91  106      9   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     S    26_A     S    26_A     41   91  106     14   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     T    27_A     T    27_A     41   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     K    28_A     K    28_A     41   91  106     19   62   78   80   82   83   87   88   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     S    29_A     S    29_A     41   91  106     14   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     L    30_A     L    30_A     41   91  106     14   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     E    31_A     E    31_A     41   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     K    32_A     K    32_A     41   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     Y    33_A     Y    33_A     41   91  106     22   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     F    34_A     F    34_A     41   91  106     20   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     K    35_A     K    35_A     41   91  106     27   51   76   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     D    36_A     D    36_A     41   91  106     27   61   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     T    37_A     T    37_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     R    38_A     R    38_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     E    39_A     E    39_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     P    40_A     P    40_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     Y    41_A     Y    41_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     S    42_A     S    42_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     L    43_A     L    43_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     I    44_A     I    44_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     K    45_A     K    45_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     K    46_A     K    46_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     F    47_A     F    47_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     M    48_A     M    48_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     L    49_A     L    49_A     41   91  106     22   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     E    50_A     E    50_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     N    51_A     N    51_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     G    52_A     G    52_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     F    53_A     F    53_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     E    54_A     E    54_A     41   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     H    55_A     H    55_A     41   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     R    56_A     R    56_A     41   91  106     18   60   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     Q    57_A     Q    57_A     41   91  106      3    4    7   57   78   83   84   87   87   89   91   94   96  102  103  103  103  103  104  105 
LCS_GDT     Y    58_A     Y    58_A      4   91  106      3    4   14   22   39   79   84   87   87   88   91   93   96   99  103  103  103  103  104  105 
LCS_GDT     S    59_A     S    59_A      4   91  106      3    6   14   41   78   83   85   87   87   89   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     G    60_A     G    60_A     40   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     Y    61_A     Y    61_A     40   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     T    62_A     T    62_A     40   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     S    63_A     S    63_A     40   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     K    64_A     K    64_A     40   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     E    65_A     E    65_A     40   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     P    66_A     P    66_A     40   91  106      6   56   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     I    67_A     I    67_A     40   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     N    68_A     N    68_A     40   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     E    69_A     E    69_A     40   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     R    70_A     R    70_A     40   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     R    71_A     R    71_A     40   91  106     14   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     V    72_A     V    72_A     40   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     I    73_A     I    73_A     40   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     R    74_A     R    74_A     40   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     I    75_A     I    75_A     40   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     I    76_A     I    76_A     40   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     N    77_A     N    77_A     40   91  106     23   56   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     K    78_A     K    78_A     40   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     L    79_A     L    79_A     40   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     T    80_A     T    80_A     40   91  106     23   58   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     K    81_A     K    81_A     40   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     K    82_A     K    82_A     40   91  106     23   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     F    83_A     F    83_A     40   91  106     11   55   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     T    84_A     T    84_A     40   91  106     11   58   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     W    85_A     W    85_A     40   91  106     12   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     L    86_A     L    86_A     40   91  106     12   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     G    87_A     G    87_A     40   91  106      3   39   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     E    88_A     E    88_A     40   91  106     20   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     C    89_A     C    89_A     40   91  106     11   55   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     V    90_A     V    90_A     40   91  106      8   29   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     K    91_A     K    91_A     40   91  106      5   37   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     E    92_A     E    92_A     40   91  106     12   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     F    93_A     F    93_A     40   91  106     16   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     D    94_A     D    94_A     40   91  106     22   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     I    95_A     I    95_A     40   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     T    96_A     T    96_A     40   91  106     27   62   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     E    97_A     E    97_A     40   91  106      6   50   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     I    98_A     I    98_A     40   91  106     13   49   78   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     G    99_A     G    99_A     40   91  106      8   36   75   80   82   83   87   89   91   93   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     E   100_A     E   100_A     39   91  106      4   35   69   80   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     Q   101_A     Q   101_A     14   91  106      4   21   37   75   82   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     Y   102_A     Y   102_A     14   91  106      4   15   37   57   79   83   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     S   103_A     S   103_A     14   91  106      4   13   29   46   65   82   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     L   104_A     L   104_A     14   91  106      9   11   32   46   65   82   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     K   105_A     K   105_A     14   91  106      9   11   26   45   55   78   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     E   106_A     E   106_A     14   91  106      9   11   32   47   65   81   87   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     T   107_A     T   107_A     14   91  106      9   12   25   43   57   76   85   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     I   108_A     I   108_A     14   21  106      9   11   23   40   49   59   72   85   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     Q   109_A     Q   109_A     14   21  106      9   12   25   42   50   64   80   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     D   110_A     D   110_A     14   21  106      9   11   22   39   50   62   79   89   91   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     L   111_A     L   111_A     14   21  106      9   11   16   34   45   56   65   75   89   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     C   112_A     C   112_A     14   21  106      9   11   16   36   45   56   63   75   89   93   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     A   113_A     A   113_A     14   21  106      9   11   16   36   45   56   66   79   89   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     K   114_A     K   114_A     13   21  106      3    4   12   16   18   29   53   71   78   87   92   97   99  102  103  103  103  103  104  105 
LCS_GDT     D   115_A     D   115_A     13   21  106      3   11   15   17   27   48   63   71   80   87   95   97   99  102  103  103  103  103  104  105 
LCS_GDT     F   116_A     F   116_A      4   21  106      3    3    4    4   12   18   29   71   80   94   97   97   99  102  103  103  103  103  104  105 
LCS_GDT     H   117_A     H   117_A      4   21  106      3    3    4    4    4   18   29   63   80   94   97   97   99  102  103  103  103  103  104  105 
LCS_AVERAGE  LCS_A:  69.96  (  31.81   78.08  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     27     62     78     80     82     83     87     89     91     94     97     97     99    102    103    103    103    103    104    105 
GDT PERCENT_AT  25.47  58.49  73.58  75.47  77.36  78.30  82.08  83.96  85.85  88.68  91.51  91.51  93.40  96.23  97.17  97.17  97.17  97.17  98.11  99.06
GDT RMS_LOCAL    0.28   0.72   0.89   0.93   1.04   1.10   1.63   2.07   2.17   2.69   2.81   2.81   2.94   3.19   3.26   3.26   3.26   3.26   3.41   3.56
GDT RMS_ALL_AT   5.01   5.24   5.22   5.18   5.01   5.05   4.37   3.97   3.93   3.73   3.73   3.73   3.72   3.73   3.72   3.72   3.72   3.72   3.71   3.70

# Checking swapping
#   possible swapping detected:  D    13_A      D    13_A
#   possible swapping detected:  F    34_A      F    34_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  F    47_A      F    47_A
#   possible swapping detected:  E    54_A      E    54_A
#   possible swapping detected:  Y    58_A      Y    58_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  F    83_A      F    83_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  D   115_A      D   115_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    12_A      Q    12_A     5.259     0    0.533   1.086     8.965   17.619   27.249
LGA    D    13_A      D    13_A    10.345     0    0.132   0.911    15.591    3.333    1.667
LGA    P    14_A      P    14_A     9.967     0    0.052   0.324    14.170    2.262    1.293
LGA    G    15_A      G    15_A    10.483     0    0.021   0.021    10.602    2.381    2.381
LGA    I    16_A      I    16_A     5.938     0    0.596   0.526     8.519   31.190   21.905
LGA    N    17_A      N    17_A     0.703     0    0.445   1.093     4.363   75.833   61.369
LGA    R    18_A      R    18_A     1.652     0    0.134   0.924     3.816   75.000   61.212
LGA    K    19_A      K    19_A     1.167     0    0.070   0.715     2.952   85.952   81.958
LGA    A    20_A      A    20_A     0.455     0    0.055   0.074     0.570   97.619   96.190
LGA    I    21_A      I    21_A     0.551     0    0.040   1.066     2.480   90.476   81.845
LGA    N    22_A      N    22_A     1.115     0    0.010   0.082     1.936   83.690   78.274
LGA    F    23_A      F    23_A     1.483     0    0.127   0.349     2.170   75.119   79.134
LGA    D    24_A      D    24_A     1.610     0    0.056   0.878     2.431   75.000   72.917
LGA    L    25_A      L    25_A     1.671     0    0.019   0.066     1.982   72.857   73.929
LGA    S    26_A      S    26_A     2.344     0    0.055   0.082     2.748   64.762   62.222
LGA    T    27_A      T    27_A     2.300     0    0.044   0.134     2.893   64.762   62.585
LGA    K    28_A      K    28_A     2.802     0    0.000   1.009     8.762   57.143   40.000
LGA    S    29_A      S    29_A     2.503     0    0.040   0.077     3.137   60.952   58.492
LGA    L    30_A      L    30_A     1.636     0    0.059   0.179     1.926   72.857   76.071
LGA    E    31_A      E    31_A     1.620     0    0.141   0.209     2.520   72.857   68.466
LGA    K    32_A      K    32_A     1.619     0    0.032   0.299     2.230   72.857   71.958
LGA    Y    33_A      Y    33_A     1.760     0    0.031   0.246     2.824   72.857   64.921
LGA    F    34_A      F    34_A     1.665     0    0.670   0.471     3.116   67.143   67.836
LGA    K    35_A      K    35_A     2.191     0    0.103   0.422     3.260   64.762   63.175
LGA    D    36_A      D    36_A     1.864     0    0.017   0.304     2.032   72.857   71.845
LGA    T    37_A      T    37_A     1.596     0    0.014   0.066     1.696   75.000   74.082
LGA    R    38_A      R    38_A     1.525     0    0.010   1.338     4.468   77.143   68.788
LGA    E    39_A      E    39_A     1.135     0    0.018   0.050     1.329   83.690   88.519
LGA    P    40_A      P    40_A     1.114     0    0.027   0.306     1.780   81.429   80.204
LGA    Y    41_A      Y    41_A     1.261     0    0.081   0.245     1.770   81.429   79.286
LGA    S    42_A      S    42_A     1.150     0    0.016   0.617     3.003   81.429   76.190
LGA    L    43_A      L    43_A     0.853     0    0.006   0.167     1.049   90.476   89.345
LGA    I    44_A      I    44_A     0.988     0    0.016   0.136     1.161   85.952   84.821
LGA    K    45_A      K    45_A     1.488     0    0.060   0.126     2.381   79.286   73.915
LGA    K    46_A      K    46_A     1.387     0    0.051   0.435     2.351   79.286   75.767
LGA    F    47_A      F    47_A     0.982     0    0.043   0.099     1.089   83.690   88.874
LGA    M    48_A      M    48_A     1.173     0    0.019   0.057     1.398   81.429   81.429
LGA    L    49_A      L    49_A     1.782     0    0.054   0.424     2.491   72.857   70.833
LGA    E    50_A      E    50_A     1.561     0    0.018   0.176     2.119   77.143   75.767
LGA    N    51_A      N    51_A     1.168     0    0.090   0.106     1.205   83.690   82.560
LGA    G    52_A      G    52_A     1.455     0    0.018   0.018     1.480   81.429   81.429
LGA    F    53_A      F    53_A     1.383     0    0.033   0.209     1.656   77.143   79.957
LGA    E    54_A      E    54_A     1.738     0    0.079   0.851     4.461   72.857   62.804
LGA    H    55_A      H    55_A     1.539     0    0.079   0.261     2.161   70.833   76.333
LGA    R    56_A      R    56_A     2.065     0    0.594   1.707     9.426   62.976   41.212
LGA    Q    57_A      Q    57_A     5.579     0    0.520   1.138    10.169   21.071   11.164
LGA    Y    58_A      Y    58_A     6.158     0    0.051   1.343    15.196   21.548    8.254
LGA    S    59_A      S    59_A     4.787     0    0.616   0.842     5.805   29.048   27.302
LGA    G    60_A      G    60_A     1.682     0    0.128   0.128     2.215   68.810   68.810
LGA    Y    61_A      Y    61_A     1.607     0    0.105   0.258     1.630   75.000   77.143
LGA    T    62_A      T    62_A     1.270     0    0.058   1.193     3.858   81.429   75.986
LGA    S    63_A      S    63_A     1.350     0    0.026   0.591     1.594   79.286   80.000
LGA    K    64_A      K    64_A     1.346     0    0.221   0.780     4.703   85.952   69.471
LGA    E    65_A      E    65_A     0.972     0    0.026   1.064     5.261   88.214   67.989
LGA    P    66_A      P    66_A     0.696     0    0.045   0.066     0.824   90.476   90.476
LGA    I    67_A      I    67_A     1.279     0    0.029   0.153     2.363   81.429   76.131
LGA    N    68_A      N    68_A     1.247     0    0.021   0.280     2.004   81.429   78.274
LGA    E    69_A      E    69_A     0.960     0    0.019   0.469     1.916   83.690   80.582
LGA    R    70_A      R    70_A     1.199     0    0.039   1.555     6.940   81.429   61.255
LGA    R    71_A      R    71_A     1.590     0    0.069   1.353     7.808   79.286   50.130
LGA    V    72_A      V    72_A     1.326     0    0.018   0.071     1.448   81.429   81.429
LGA    I    73_A      I    73_A     0.717     0    0.104   1.511     3.419   85.952   76.012
LGA    R    74_A      R    74_A     1.162     0    0.025   1.412     5.654   81.429   66.667
LGA    I    75_A      I    75_A     1.288     0    0.048   0.125     1.825   81.429   79.286
LGA    I    76_A      I    76_A     0.963     0    0.033   0.651     2.671   88.214   84.048
LGA    N    77_A      N    77_A     0.930     0    0.046   1.331     4.574   90.476   74.821
LGA    K    78_A      K    78_A     0.854     0    0.037   0.648     3.109   90.476   79.312
LGA    L    79_A      L    79_A     0.832     0    0.041   0.139     1.403   90.476   89.345
LGA    T    80_A      T    80_A     0.953     0    0.099   1.151     3.173   85.952   77.347
LGA    K    81_A      K    81_A     0.633     0    0.028   0.288     0.966   90.476   91.534
LGA    K    82_A      K    82_A     1.006     0    0.033   0.561     2.874   81.548   81.799
LGA    F    83_A      F    83_A     1.882     0    0.462   0.419     4.308   62.143   77.836
LGA    T    84_A      T    84_A     2.123     0    0.223   1.087     3.033   70.833   63.946
LGA    W    85_A      W    85_A     1.910     0    0.119   1.242    11.272   70.833   38.367
LGA    L    86_A      L    86_A     1.798     0    0.073   1.310     3.995   68.810   61.429
LGA    G    87_A      G    87_A     2.834     0    0.066   0.066     3.167   57.262   57.262
LGA    E    88_A      E    88_A     1.905     0    0.035   1.068     4.896   70.833   56.138
LGA    C    89_A      C    89_A     2.306     0    0.065   0.067     2.422   64.762   64.762
LGA    V    90_A      V    90_A     2.202     0    0.028   1.157     4.529   62.857   57.823
LGA    K    91_A      K    91_A     2.641     0    0.049   0.737     3.136   57.262   62.487
LGA    E    92_A      E    92_A     2.112     0    0.078   1.054     2.911   75.357   66.931
LGA    F    93_A      F    93_A     0.761     0    0.197   1.002     5.499   85.952   65.238
LGA    D    94_A      D    94_A     1.165     0    0.091   0.750     3.516   88.214   72.917
LGA    I    95_A      I    95_A     0.796     0    0.064   0.189     0.999   90.476   91.667
LGA    T    96_A      T    96_A     0.936     0    0.086   0.937     2.455   88.214   82.925
LGA    E    97_A      E    97_A     1.910     0    0.074   0.899     4.447   68.810   63.545
LGA    I    98_A      I    98_A     2.195     0    0.032   0.171     2.564   64.762   64.821
LGA    G    99_A      G    99_A     2.656     0    0.596   0.596     4.580   50.714   50.714
LGA    E   100_A      E   100_A     1.256     0    0.063   0.956     3.467   73.214   68.677
LGA    Q   101_A      Q   101_A     1.957     0    0.128   1.479     5.097   70.952   61.058
LGA    Y   102_A      Y   102_A     2.510     0    0.042   1.252     8.942   57.262   36.706
LGA    S   103_A      S   103_A     3.252     0    0.310   0.728     5.208   51.786   46.111
LGA    L   104_A      L   104_A     3.549     0    0.221   1.371     5.207   42.024   45.893
LGA    K   105_A      K   105_A     3.901     0    0.103   0.824     4.715   38.810   44.339
LGA    E   106_A      E   106_A     4.168     0    0.058   1.305     8.545   34.524   27.566
LGA    T   107_A      T   107_A     5.310     0    0.032   0.159     6.585   23.095   25.170
LGA    I   108_A      I   108_A     6.451     0    0.034   0.109     7.604   14.762   15.060
LGA    Q   109_A      Q   109_A     6.362     0    0.013   0.292     7.449   14.405   24.127
LGA    D   110_A      D   110_A     7.390     0    0.043   0.177     8.529    7.738   10.119
LGA    L   111_A      L   111_A     8.741     0    0.072   0.120     9.486    2.619    2.798
LGA    C   112_A      C   112_A     9.151     0    0.303   0.318     9.680    1.548    1.984
LGA    A   113_A      A   113_A     9.461     0    0.681   0.614    10.276    0.714    0.857
LGA    K   114_A      K   114_A    12.149     0    0.500   0.866    19.850    0.000    0.000
LGA    D   115_A      D   115_A    12.027     0    0.109   0.955    13.693    0.000    0.000
LGA    F   116_A      F   116_A    10.562     0    0.635   0.869    14.234    0.000    0.130
LGA    H   117_A      H   117_A    10.700     0    0.139   1.272    12.253    0.000    3.857

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      106     424    424  100.00     891    891  100.00               106
SUMMARY(RMSD_GDC):     3.699          3.700                  4.300           63.574   59.423

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     89    2.07    78.774    80.568     4.103

LGA_LOCAL      RMSD:   2.069  Number of atoms:   89  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.969  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   3.699  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.967862 * X  +   0.110439 * Y  +  -0.225933 * Z  + -27.637392
  Y_new =   0.222071 * X  +  -0.796934 * Y  +   0.561766 * Z  + -33.993988
  Z_new =  -0.118012 * X  +  -0.593885 * Y  +  -0.795848 * Z  +   8.838120 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.225541  0.118288 -2.500509   [DEG:   12.9225    6.7774 -143.2686 ]
ZXZ: -2.759206  2.491202 -2.945436   [DEG: -158.0909  142.7354 -168.7610 ]
 
# END of job
