
#######################################################
#                                                     #
#                        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       3.53     3.53
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    92      16_A - 107_A       1.99     4.04
  LCS_AVERAGE:     79.12

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    41      17_A - 57_A        0.91     4.84
  LCS_AVERAGE:     31.67

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      4    5   27   79   82   83   84   87   87   89   94   96   99  100  102  102  103  103  104  104 
LCS_GDT     D    13_A     D    13_A      6    6  106      4    5    6   16   26   37   45   75   84   86   88   89   90   91   93   95   96  100  103  104 
LCS_GDT     P    14_A     P    14_A      6   88  106      4    5    6    7    7    8   11   12   17   22   81   84   90   92   93   95   98  102  104  104 
LCS_GDT     G    15_A     G    15_A      6   90  106      4    5    6    7    7    9   12   16   51   53   81   86   90   91   92   94   94   97   98  102 
LCS_GDT     I    16_A     I    16_A      6   92  106      4    5    9   16   24   79   84   87   87   88   90   92   98  100  102  102  103  103  104  104 
LCS_GDT     N    17_A     N    17_A     41   92  106     28   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     R    18_A     R    18_A     41   92  106     24   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     K    19_A     K    19_A     41   92  106     24   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     A    20_A     A    20_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     I    21_A     I    21_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     N    22_A     N    22_A     41   92  106     24   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     F    23_A     F    23_A     41   92  106      3   22   62   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     D    24_A     D    24_A     41   92  106     16   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     L    25_A     L    25_A     41   92  106     16   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     S    26_A     S    26_A     41   92  106     21   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     T    27_A     T    27_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     K    28_A     K    28_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     S    29_A     S    29_A     41   92  106     28   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     L    30_A     L    30_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     E    31_A     E    31_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     K    32_A     K    32_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     Y    33_A     Y    33_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     F    34_A     F    34_A     41   92  106      4   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     K    35_A     K    35_A     41   92  106     15   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     D    36_A     D    36_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     T    37_A     T    37_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     R    38_A     R    38_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     E    39_A     E    39_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     P    40_A     P    40_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     Y    41_A     Y    41_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     S    42_A     S    42_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     L    43_A     L    43_A     41   92  106     26   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     I    44_A     I    44_A     41   92  106     24   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     K    45_A     K    45_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     K    46_A     K    46_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     F    47_A     F    47_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     M    48_A     M    48_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     L    49_A     L    49_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     E    50_A     E    50_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     N    51_A     N    51_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     G    52_A     G    52_A     41   92  106     15   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     F    53_A     F    53_A     41   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     E    54_A     E    54_A     41   92  106     28   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     H    55_A     H    55_A     41   92  106      9   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     R    56_A     R    56_A     41   92  106      9   55   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     Q    57_A     Q    57_A     41   92  106      3    3    8   22   51   82   84   87   87   90   93   97   99  100  102  102  103  103  104  104 
LCS_GDT     Y    58_A     Y    58_A      4   92  106      3    4   12   23   39   53   83   87   87   88   90   92   96   98  101  102  103  103  104  104 
LCS_GDT     S    59_A     S    59_A      4   92  106      3    7   19   32   50   81   84   87   87   90   93   97   99  100  102  102  103  103  104  104 
LCS_GDT     G    60_A     G    60_A     40   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     Y    61_A     Y    61_A     40   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     T    62_A     T    62_A     40   92  106     24   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     S    63_A     S    63_A     40   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     K    64_A     K    64_A     40   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     E    65_A     E    65_A     40   92  106     13   55   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     P    66_A     P    66_A     40   92  106     18   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     I    67_A     I    67_A     40   92  106     15   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     N    68_A     N    68_A     40   92  106     15   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     E    69_A     E    69_A     40   92  106     17   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     R    70_A     R    70_A     40   92  106     17   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     R    71_A     R    71_A     40   92  106     15   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     V    72_A     V    72_A     40   92  106     15   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     I    73_A     I    73_A     40   92  106     17   50   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     R    74_A     R    74_A     40   92  106     17   46   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     I    75_A     I    75_A     40   92  106     17   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     I    76_A     I    76_A     40   92  106     17   46   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     N    77_A     N    77_A     40   92  106     17   44   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     K    78_A     K    78_A     40   92  106     17   46   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     L    79_A     L    79_A     40   92  106     17   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     T    80_A     T    80_A     40   92  106     12   46   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     K    81_A     K    81_A     40   92  106     11   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     K    82_A     K    82_A     40   92  106     14   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     F    83_A     F    83_A     40   92  106     16   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     T    84_A     T    84_A     40   92  106     16   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     W    85_A     W    85_A     40   92  106     16   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     L    86_A     L    86_A     40   92  106     15   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     G    87_A     G    87_A     40   92  106      9   53   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     E    88_A     E    88_A     40   92  106     21   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     C    89_A     C    89_A     40   92  106     14   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     V    90_A     V    90_A     40   92  106     14   43   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     K    91_A     K    91_A     40   92  106     12   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     E    92_A     E    92_A     40   92  106     19   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     F    93_A     F    93_A     40   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     D    94_A     D    94_A     40   92  106     29   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     I    95_A     I    95_A     40   92  106     26   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     T    96_A     T    96_A     40   92  106     26   56   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     E    97_A     E    97_A     40   92  106      8   51   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     I    98_A     I    98_A     40   92  106      9   52   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     G    99_A     G    99_A     40   92  106      9   48   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     E   100_A     E   100_A     23   92  106      4   41   78   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     Q   101_A     Q   101_A     15   92  106      8   27   68   82   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     Y   102_A     Y   102_A     15   92  106      4   23   51   78   83   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     S   103_A     S   103_A     15   92  106      4   13   34   64   81   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     L   104_A     L   104_A     15   92  106      8   12   34   55   81   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     K   105_A     K   105_A     15   92  106      8   11   34   47   68   86   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     E   106_A     E   106_A     15   92  106      8   11   34   47   73   85   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     T   107_A     T   107_A     15   92  106      8   11   31   45   64   84   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     I   108_A     I   108_A     15   50  106      8   11   25   45   55   67   87   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     Q   109_A     Q   109_A     15   50  106      8   11   29   45   55   73   87   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     D   110_A     D   110_A     15   21  106      8   11   22   40   55   73   87   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     L   111_A     L   111_A     15   21  106      8   11   19   34   54   62   78   91   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     C   112_A     C   112_A     15   21  106      8   11   19   36   54   62   78   90   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     A   113_A     A   113_A     14   21  106      4   10   15   34   53   62   79   90   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     K   114_A     K   114_A     11   21  106      3    4    4   11   17   18   58   62   68   83   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     D   115_A     D   115_A      4   21  106      3    4    4   46   67   84   89   92   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     F   116_A     F   116_A      4    5  106      3    4   13   27   43   49   66   87   94   96   96   97   99  100  102  102  103  103  104  104 
LCS_GDT     H   117_A     H   117_A      4    5  106      3    4    4    6    7    8    8   11   14   25   35   68   93   98  102  102  103  103  104  104 
LCS_AVERAGE  LCS_A:  70.27  (  31.67   79.12  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     29     56     78     82     83     86     89     92     94     96     96     97     99    100    102    102    103    103    104    104 
GDT PERCENT_AT  27.36  52.83  73.58  77.36  78.30  81.13  83.96  86.79  88.68  90.57  90.57  91.51  93.40  94.34  96.23  96.23  97.17  97.17  98.11  98.11
GDT RMS_LOCAL    0.38   0.63   0.87   0.98   1.07   1.39   1.76   2.06   2.28   2.43   2.43   2.49   2.61   2.70   3.00   2.92   3.07   3.07   3.21   3.21
GDT RMS_ALL_AT   4.77   4.85   4.74   4.62   4.50   4.15   3.82   3.67   3.60   3.57   3.57   3.57   3.57   3.56   3.55   3.56   3.55   3.55   3.54   3.54

# Checking swapping
#   possible swapping detected:  D    13_A      D    13_A
#   possible swapping detected:  F    23_A      F    23_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:  E   100_A      E   100_A
#   possible swapping detected:  E   106_A      E   106_A
#   possible swapping detected:  F   116_A      F   116_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    Q    12_A      Q    12_A     5.827     0    0.389   0.602     9.495   15.357   20.159
LGA    D    13_A      D    13_A    10.583     0    0.056   1.138    15.986    2.857    1.429
LGA    P    14_A      P    14_A     9.874     0    0.071   0.323    13.832    1.429    0.816
LGA    G    15_A      G    15_A    11.459     0    0.022   0.022    11.459    0.714    0.714
LGA    I    16_A      I    16_A     7.090     0    0.609   0.567    10.783   19.405   11.845
LGA    N    17_A      N    17_A     1.283     0    0.593   1.094     3.614   67.619   63.452
LGA    R    18_A      R    18_A     1.911     0    0.112   0.947     4.279   70.833   55.325
LGA    K    19_A      K    19_A     1.472     0    0.022   0.764     3.494   79.286   75.185
LGA    A    20_A      A    20_A     1.057     0    0.012   0.018     1.266   85.952   85.048
LGA    I    21_A      I    21_A     0.919     0    0.020   0.559     2.147   85.952   83.869
LGA    N    22_A      N    22_A     1.679     0    0.072   0.124     2.552   75.000   68.929
LGA    F    23_A      F    23_A     2.349     0    0.292   1.163     6.076   63.095   51.991
LGA    D    24_A      D    24_A     1.699     0    0.068   0.805     3.213   72.857   66.131
LGA    L    25_A      L    25_A     1.442     0    0.046   0.121     1.817   77.143   78.214
LGA    S    26_A      S    26_A     1.960     0    0.050   0.078     2.196   70.833   68.810
LGA    T    27_A      T    27_A     2.035     0    0.039   0.133     2.550   64.762   63.673
LGA    K    28_A      K    28_A     2.446     0    0.004   1.016     8.330   64.762   46.085
LGA    S    29_A      S    29_A     2.152     0    0.042   0.082     2.607   68.810   66.190
LGA    L    30_A      L    30_A     1.559     0    0.081   0.166     1.766   72.857   78.274
LGA    E    31_A      E    31_A     1.648     0    0.079   0.181     2.089   72.857   71.058
LGA    K    32_A      K    32_A     1.660     0    0.036   0.296     2.192   72.857   71.958
LGA    Y    33_A      Y    33_A     1.657     0    0.063   0.209     2.736   75.000   66.944
LGA    F    34_A      F    34_A     1.649     0    0.189   0.281     3.004   75.000   65.801
LGA    K    35_A      K    35_A     2.101     0    0.106   0.946     3.657   68.810   66.878
LGA    D    36_A      D    36_A     1.684     0    0.486   0.808     5.158   68.929   56.190
LGA    T    37_A      T    37_A     1.712     0    0.235   1.106     3.266   70.833   70.884
LGA    R    38_A      R    38_A     1.739     0    0.031   0.940     3.336   72.857   74.848
LGA    E    39_A      E    39_A     1.315     0    0.022   0.137     2.113   83.690   78.677
LGA    P    40_A      P    40_A     1.014     0    0.087   0.101     1.406   81.429   81.429
LGA    Y    41_A      Y    41_A     1.322     0    0.100   0.258     1.934   81.429   76.429
LGA    S    42_A      S    42_A     1.241     0    0.032   0.622     3.150   81.429   76.190
LGA    L    43_A      L    43_A     0.917     0    0.012   0.174     1.014   85.952   88.214
LGA    I    44_A      I    44_A     1.011     0    0.019   0.130     1.329   83.690   84.821
LGA    K    45_A      K    45_A     1.243     0    0.028   0.614     2.940   81.429   74.127
LGA    K    46_A      K    46_A     1.274     0    0.023   1.101     7.026   81.429   58.360
LGA    F    47_A      F    47_A     0.926     0    0.053   0.159     1.026   88.214   88.831
LGA    M    48_A      M    48_A     0.855     0    0.012   0.753     2.752   85.952   84.048
LGA    L    49_A      L    49_A     1.462     0    0.064   0.517     2.403   79.286   75.060
LGA    E    50_A      E    50_A     1.497     0    0.065   0.140     1.837   79.286   78.571
LGA    N    51_A      N    51_A     1.347     0    0.092   0.088     1.627   77.143   79.286
LGA    G    52_A      G    52_A     1.944     0    0.065   0.065     1.944   72.857   72.857
LGA    F    53_A      F    53_A     1.157     0    0.081   0.219     1.986   77.143   81.645
LGA    E    54_A      E    54_A     1.699     0    0.049   0.861     5.835   77.143   58.254
LGA    H    55_A      H    55_A     1.423     0    0.681   1.243     5.164   64.762   57.333
LGA    R    56_A      R    56_A     1.551     0    0.518   1.594     8.185   75.238   49.740
LGA    Q    57_A      Q    57_A     5.586     0    0.510   1.138     9.813   19.286   11.376
LGA    Y    58_A      Y    58_A     6.978     0    0.081   1.378    15.000   14.286    5.516
LGA    S    59_A      S    59_A     5.565     0    0.639   0.839     6.211   21.786   20.952
LGA    G    60_A      G    60_A     1.820     0    0.158   0.158     2.636   68.929   68.929
LGA    Y    61_A      Y    61_A     1.343     0    0.105   0.160     2.271   81.429   77.183
LGA    T    62_A      T    62_A     1.202     0    0.046   1.163     3.999   81.429   75.986
LGA    S    63_A      S    63_A     0.933     0    0.020   0.583     1.683   85.952   84.524
LGA    K    64_A      K    64_A     1.397     0    0.233   0.775     5.394   85.952   66.508
LGA    E    65_A      E    65_A     0.997     0    0.069   0.908     4.983   85.952   69.947
LGA    P    66_A      P    66_A     1.261     0    0.055   0.361     1.447   83.690   85.306
LGA    I    67_A      I    67_A     1.894     0    0.057   0.162     2.533   72.857   67.857
LGA    N    68_A      N    68_A     1.799     0    0.017   0.277     2.339   72.857   71.845
LGA    E    69_A      E    69_A     1.286     0    0.015   0.509     2.388   79.286   75.767
LGA    R    70_A      R    70_A     1.331     0    0.034   1.556     7.309   81.429   57.965
LGA    R    71_A      R    71_A     1.843     0    0.068   1.342     7.424   72.857   48.182
LGA    V    72_A      V    72_A     1.651     0    0.023   0.108     1.909   72.857   72.857
LGA    I    73_A      I    73_A     1.204     0    0.101   1.519     4.206   79.286   69.940
LGA    R    74_A      R    74_A     1.425     0    0.021   1.415     6.176   79.286   61.385
LGA    I    75_A      I    75_A     1.519     0    0.023   0.680     1.899   79.286   77.143
LGA    I    76_A      I    76_A     1.306     0    0.034   0.643     2.617   81.429   79.524
LGA    N    77_A      N    77_A     1.299     0    0.045   1.335     4.840   81.429   68.214
LGA    K    78_A      K    78_A     1.249     0    0.032   0.642     3.408   81.429   72.540
LGA    L    79_A      L    79_A     1.176     0    0.048   0.108     1.274   81.429   82.560
LGA    T    80_A      T    80_A     1.268     0    0.068   1.148     3.170   79.286   71.224
LGA    K    81_A      K    81_A     1.392     0    0.018   0.290     1.813   79.286   77.619
LGA    K    82_A      K    82_A     1.574     0    0.021   0.591     3.753   75.000   71.481
LGA    F    83_A      F    83_A     1.576     0    0.014   0.158     1.629   75.000   79.957
LGA    T    84_A      T    84_A     1.881     0    0.059   0.114     2.478   72.857   70.544
LGA    W    85_A      W    85_A     1.852     0    0.124   1.162     9.161   70.833   37.891
LGA    L    86_A      L    86_A     1.595     0    0.079   1.310     4.003   70.833   61.667
LGA    G    87_A      G    87_A     2.797     0    0.071   0.071     3.271   57.262   57.262
LGA    E    88_A      E    88_A     2.034     0    0.030   1.060     5.061   64.762   52.222
LGA    C    89_A      C    89_A     2.093     0    0.066   0.068     2.130   66.786   66.111
LGA    V    90_A      V    90_A     1.893     0    0.023   1.145     4.147   64.881   60.952
LGA    K    91_A      K    91_A     2.634     0    0.047   0.741     3.845   57.262   57.460
LGA    E    92_A      E    92_A     2.360     0    0.073   1.050     2.790   70.952   68.466
LGA    F    93_A      F    93_A     1.076     0    0.193   0.987     5.859   79.286   60.043
LGA    D    94_A      D    94_A     1.455     0    0.113   0.772     3.858   81.429   67.619
LGA    I    95_A      I    95_A     0.802     0    0.041   0.633     2.540   90.476   87.500
LGA    T    96_A      T    96_A     1.033     0    0.059   0.915     2.885   83.690   80.544
LGA    E    97_A      E    97_A     2.065     0    0.081   0.907     4.198   66.786   62.646
LGA    I    98_A      I    98_A     2.480     0    0.042   0.728     2.852   60.952   60.000
LGA    G    99_A      G    99_A     2.967     0    0.509   0.509     4.833   48.929   48.929
LGA    E   100_A      E   100_A     1.103     0    0.128   1.087     3.098   81.429   78.942
LGA    Q   101_A      Q   101_A     1.421     0    0.107   1.360     3.965   81.429   74.444
LGA    Y   102_A      Y   102_A     1.685     0    0.110   1.237     8.741   66.905   43.730
LGA    S   103_A      S   103_A     2.425     0    0.300   0.327     2.874   62.857   60.952
LGA    L   104_A      L   104_A     2.607     0    0.213   1.369     4.213   51.905   54.940
LGA    K   105_A      K   105_A     3.137     0    0.110   0.836     3.923   50.119   54.074
LGA    E   106_A      E   106_A     3.570     0    0.045   1.469     7.962   40.476   33.915
LGA    T   107_A      T   107_A     4.249     0    0.045   0.136     5.276   34.524   37.415
LGA    I   108_A      I   108_A     5.179     0    0.044   0.117     6.263   24.048   25.833
LGA    Q   109_A      Q   109_A     5.391     0    0.006   0.264     6.381   22.738   32.222
LGA    D   110_A      D   110_A     6.233     0    0.027   0.791     7.248   15.476   16.548
LGA    L   111_A      L   111_A     7.215     0    0.013   0.081     7.987    9.405   10.536
LGA    C   112_A      C   112_A     7.585     0    0.421   0.429     8.506    6.786    7.381
LGA    A   113_A      A   113_A     7.976     0    0.148   0.155     8.969    5.000    5.429
LGA    K   114_A      K   114_A    10.898     0    0.498   0.939    20.895    0.952    0.423
LGA    D   115_A      D   115_A     4.646     0    0.149   1.274     6.448   33.929   41.190
LGA    F   116_A      F   116_A     6.946     0    0.623   1.404    15.664   10.238    4.156
LGA    H   117_A      H   117_A    12.570     0    0.196   0.496    17.187    0.000    0.000

# 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):     3.526          3.511                  4.319           63.522   58.763

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     92    2.06    78.302    81.101     4.261

LGA_LOCAL      RMSD:   2.059  Number of atoms:   92  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   3.665  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   3.526  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.970676 * X  +  -0.182723 * Y  +  -0.156204 * Z  + -27.319616
  Y_new =  -0.010014 * X  +  -0.679966 * Y  +   0.733175 * Z  + -34.682415
  Z_new =  -0.240182 * X  +  -0.710112 * Y  +  -0.661857 * Z  +  11.057021 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.010316  0.242553 -2.321037   [DEG:   -0.5911   13.8973 -132.9856 ]
ZXZ: -2.931679  2.294089 -2.815441   [DEG: -167.9729  131.4416 -161.3129 ]
 
# END of job
