
#######################################################
#                                                     #
#                        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       2.67     2.67
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101      14_A - 114_A       2.00     2.75
  LCS_AVERAGE:     93.55

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    42      16_A - 57_A        0.97     3.02
  LCS_AVERAGE:     24.81

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      4   96  106      4    4    4    7   12   25   42   84   96   99  101  103  103  104  106  106  106  106  106  106 
LCS_GDT     D    13_A     D    13_A      4  100  106      4    4    8   35   45   83   90   97  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     P    14_A     P    14_A      4  101  106      4    4    4   32   39   45   84   93   97  100  101  103  103  104  106  106  106  106  106  106 
LCS_GDT     G    15_A     G    15_A      4  101  106      4    4   14   28   40   56   86   97  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    16_A     I    16_A     42  101  106      4   29   69   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     N    17_A     N    17_A     42  101  106      7   58   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     R    18_A     R    18_A     42  101  106     23   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    19_A     K    19_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     A    20_A     A    20_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    21_A     I    21_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     N    22_A     N    22_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     F    23_A     F    23_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     D    24_A     D    24_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     L    25_A     L    25_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     S    26_A     S    26_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     T    27_A     T    27_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    28_A     K    28_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     S    29_A     S    29_A     42  101  106     26   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     L    30_A     L    30_A     42  101  106     23   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    31_A     E    31_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    32_A     K    32_A     42  101  106     25   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     Y    33_A     Y    33_A     42  101  106      6   58   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     F    34_A     F    34_A     42  101  106      3   30   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    35_A     K    35_A     42  101  106     11   57   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     D    36_A     D    36_A     42  101  106     20   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     T    37_A     T    37_A     42  101  106     10   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     R    38_A     R    38_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    39_A     E    39_A     42  101  106     20   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     P    40_A     P    40_A     42  101  106     20   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     Y    41_A     Y    41_A     42  101  106     26   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     S    42_A     S    42_A     42  101  106     26   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     L    43_A     L    43_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    44_A     I    44_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    45_A     K    45_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    46_A     K    46_A     42  101  106     20   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     F    47_A     F    47_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     M    48_A     M    48_A     42  101  106     26   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     L    49_A     L    49_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    50_A     E    50_A     42  101  106     13   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     N    51_A     N    51_A     42  101  106     12   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     G    52_A     G    52_A     42  101  106     27   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     F    53_A     F    53_A     42  101  106     26   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    54_A     E    54_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     H    55_A     H    55_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     R    56_A     R    56_A     42  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     Q    57_A     Q    57_A     42  101  106      4   14   23   43   62   89   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     Y    58_A     Y    58_A      4  101  106      3    4   10   16   31   46   62   92  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     S    59_A     S    59_A      4  101  106      3    5   10   26   41   70   92   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     G    60_A     G    60_A      6  101  106     26   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     Y    61_A     Y    61_A      6  101  106     27   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     T    62_A     T    62_A      6  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     S    63_A     S    63_A      6  101  106     27   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    64_A     K    64_A      6  101  106      3    6   32   72   82   90   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    65_A     E    65_A      6  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     P    66_A     P    66_A      4  101  106      3   13   30   77   86   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    67_A     I    67_A      4  101  106      3    9   21   60   82   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     N    68_A     N    68_A     16  101  106      7   14   29   57   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    69_A     E    69_A     16  101  106      9   14   61   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     R    70_A     R    70_A     16  101  106     11   16   42   64   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     R    71_A     R    71_A     16  101  106     11   14   20   56   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     V    72_A     V    72_A     16  101  106     11   44   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    73_A     I    73_A     16  101  106     21   57   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     R    74_A     R    74_A     16  101  106     11   29   60   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    75_A     I    75_A     16  101  106     11   14   53   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    76_A     I    76_A     16  101  106     11   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     N    77_A     N    77_A     16  101  106     27   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    78_A     K    78_A     16  101  106     11   14   68   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     L    79_A     L    79_A     24  101  106     11   14   34   75   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     T    80_A     T    80_A     24  101  106     11   21   68   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    81_A     K    81_A     24  101  106     12   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    82_A     K    82_A     24  101  106     12   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     F    83_A     F    83_A     24  101  106     27   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     T    84_A     T    84_A     24  101  106      9   34   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     W    85_A     W    85_A     24  101  106     11   41   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     L    86_A     L    86_A     24  101  106     11   48   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     G    87_A     G    87_A     24  101  106     15   51   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    88_A     E    88_A     24  101  106     27   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     C    89_A     C    89_A     24  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     V    90_A     V    90_A     24  101  106     28   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     K    91_A     K    91_A     24  101  106     29   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    92_A     E    92_A     24  101  106     26   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     F    93_A     F    93_A     24  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     D    94_A     D    94_A     24  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    95_A     I    95_A     24  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     T    96_A     T    96_A     24  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     E    97_A     E    97_A     24  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     I    98_A     I    98_A     24  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     G    99_A     G    99_A     24  101  106     17   57   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     E   100_A     E   100_A     24  101  106     26   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     Q   101_A     Q   101_A     24  101  106     30   59   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     Y   102_A     Y   102_A     24  101  106     10   58   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     S   103_A     S   103_A     24  101  106      7   38   69   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     L   104_A     L   104_A     24  101  106      6   26   67   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     K   105_A     K   105_A     21  101  106      6   17   58   79   86   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     E   106_A     E   106_A     20  101  106      7   22   58   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     T   107_A     T   107_A     20  101  106      7   25   64   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     I   108_A     I   108_A     19  101  106      6   17   46   76   86   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     Q   109_A     Q   109_A     19  101  106      5   15   31   52   78   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     D   110_A     D   110_A     17  101  106      3   10   19   43   63   89   94   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     L   111_A     L   111_A     16  101  106      3   10   49   76   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     C   112_A     C   112_A      4  101  106      4   58   71   79   87   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     A   113_A     A   113_A      4  101  106      3   26   46   72   83   89   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     K   114_A     K   114_A      4  101  106      3    4   57   78   86   91   95   98  101  101  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     D   115_A     D   115_A      4  100  106      3   11   20   38   54   72   86   90   97   98  101  103  104  104  106  106  106  106  106  106 
LCS_GDT     F   116_A     F   116_A      4    7  106      3    4   10   24   36   47   59   73   90   98   99  102  104  104  106  106  106  106  106  106 
LCS_GDT     H   117_A     H   117_A      4    7  106      3    4    4    5    8   10   13   58   76   87   97  101  104  104  106  106  106  106  106  106 
LCS_AVERAGE  LCS_A:  72.79  (  24.81   93.55  100.00 )

GLOBAL_DISTANCE_TEST (summary information about detected largest sets of residues (represented by selected AToms) that can fit under specified thresholds)
GDT DIST_CUTOFF  0.50   1.00   1.50   2.00   2.50   3.00   3.50   4.00   4.50   5.00   5.50   6.00   6.50   7.00   7.50   8.00   8.50   9.00   9.50  10.00
GDT NUMBER_AT     30     59     71     79     87     91     95     98    101    101    101    103    104    104    106    106    106    106    106    106 
GDT PERCENT_AT  28.30  55.66  66.98  74.53  82.08  85.85  89.62  92.45  95.28  95.28  95.28  97.17  98.11  98.11 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.35   0.58   0.78   0.99   1.32   1.41   1.56   1.75   1.95   1.95   1.95   2.15   2.51   2.51   2.67   2.67   2.67   2.67   2.67   2.67
GDT RMS_ALL_AT   3.04   3.06   3.05   2.97   2.91   2.83   2.82   2.77   2.74   2.74   2.74   2.76   2.69   2.69   2.67   2.67   2.67   2.67   2.67   2.67

# Checking swapping
#   possible swapping detected:  F    23_A      F    23_A
#   possible swapping detected:  Y    33_A      Y    33_A
#   possible swapping detected:  E    39_A      E    39_A
#   possible swapping detected:  Y    41_A      Y    41_A
#   possible swapping detected:  Y    61_A      Y    61_A
#   possible swapping detected:  E    88_A      E    88_A
#   possible swapping detected:  E    92_A      E    92_A
#   possible swapping detected:  D    94_A      D    94_A
#   possible swapping detected:  E    97_A      E    97_A
#   possible swapping detected:  E   100_A      E   100_A
#   possible swapping detected:  Y   102_A      Y   102_A
#   possible swapping detected:  D   115_A      D   115_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     7.536     0    0.344   1.081     9.982    5.595    9.947
LGA    D    13_A      D    13_A     5.586     0    0.137   0.873     8.350   22.619   17.083
LGA    P    14_A      P    14_A     6.898     0    0.358   0.485     8.640   15.238   10.952
LGA    G    15_A      G    15_A     5.567     0    0.164   0.164     5.567   29.048   29.048
LGA    I    16_A      I    16_A     1.697     0    0.196   0.743     2.791   73.214   75.476
LGA    N    17_A      N    17_A     1.292     0    0.069   1.135     3.508   79.286   71.369
LGA    R    18_A      R    18_A     1.121     0    0.062   0.660     2.775   81.429   75.368
LGA    K    19_A      K    19_A     0.902     0    0.026   0.158     1.598   90.476   85.503
LGA    A    20_A      A    20_A     0.718     0    0.086   0.089     0.852   90.476   90.476
LGA    I    21_A      I    21_A     0.612     0    0.044   0.620     2.335   90.476   87.262
LGA    N    22_A      N    22_A     0.565     0    0.047   0.094     0.675   92.857   91.667
LGA    F    23_A      F    23_A     0.387     0    0.034   0.105     0.586   97.619   99.134
LGA    D    24_A      D    24_A     0.372     0    0.056   0.143     0.854   97.619   96.429
LGA    L    25_A      L    25_A     0.470     0    0.053   0.119     0.644   97.619   95.238
LGA    S    26_A      S    26_A     0.725     0    0.085   0.138     1.390   90.476   88.968
LGA    T    27_A      T    27_A     0.760     0    0.047   0.166     0.811   90.476   90.476
LGA    K    28_A      K    28_A     1.054     0    0.048   1.036     6.015   83.690   66.032
LGA    S    29_A      S    29_A     0.880     0    0.029   0.585     1.136   90.476   87.460
LGA    L    30_A      L    30_A     1.039     0    0.050   0.787     1.898   83.690   83.750
LGA    E    31_A      E    31_A     0.989     0    0.037   0.249     1.360   88.214   84.444
LGA    K    32_A      K    32_A     1.004     0    0.099   0.933     5.755   83.690   65.238
LGA    Y    33_A      Y    33_A     1.649     0    0.018   1.395    10.997   79.286   41.190
LGA    F    34_A      F    34_A     1.568     0    0.066   0.194     9.673   79.643   37.922
LGA    K    35_A      K    35_A     2.054     0    0.609   0.531    12.417   65.119   36.931
LGA    D    36_A      D    36_A     1.363     0    0.056   0.292     2.154   79.286   76.131
LGA    T    37_A      T    37_A     0.895     0    0.074   0.109     1.488   92.976   89.320
LGA    R    38_A      R    38_A     0.556     0    0.028   0.966     4.607   90.476   73.203
LGA    E    39_A      E    39_A     1.324     0    0.077   0.842     4.429   81.429   63.598
LGA    P    40_A      P    40_A     0.987     0    0.036   0.290     1.259   90.595   86.667
LGA    Y    41_A      Y    41_A     0.862     0    0.003   0.078     1.070   90.476   87.460
LGA    S    42_A      S    42_A     0.906     0    0.019   0.606     1.223   90.476   87.460
LGA    L    43_A      L    43_A     0.495     0    0.153   0.301     1.017   95.238   94.107
LGA    I    44_A      I    44_A     0.220     0    0.023   0.126     0.575  100.000   98.810
LGA    K    45_A      K    45_A     0.762     0    0.031   0.073     1.443   90.476   86.455
LGA    K    46_A      K    46_A     1.158     0    0.028   0.589     2.007   81.429   79.630
LGA    F    47_A      F    47_A     0.790     0    0.022   1.482     6.805   88.214   62.381
LGA    M    48_A      M    48_A     0.937     0    0.021   0.895     2.639   85.952   80.833
LGA    L    49_A      L    49_A     1.036     0    0.071   1.309     3.993   81.429   69.702
LGA    E    50_A      E    50_A     1.395     0    0.068   0.201     1.708   79.286   79.524
LGA    N    51_A      N    51_A     1.329     0    0.155   0.224     2.360   81.429   76.131
LGA    G    52_A      G    52_A     0.518     0    0.049   0.049     0.841   95.238   95.238
LGA    F    53_A      F    53_A     0.941     0    0.200   0.281     1.687   83.810   84.762
LGA    E    54_A      E    54_A     0.858     0    0.053   0.832     2.593   90.476   82.804
LGA    H    55_A      H    55_A     0.580     0    0.110   1.177     3.044   92.857   81.381
LGA    R    56_A      R    56_A     0.850     0    0.625   1.028     3.319   83.810   76.494
LGA    Q    57_A      Q    57_A     3.792     0    0.584   0.834     7.506   35.476   25.661
LGA    Y    58_A      Y    58_A     5.579     0    0.561   1.143    13.720   30.357   12.381
LGA    S    59_A      S    59_A     4.630     0    0.637   0.575     6.152   33.095   29.286
LGA    G    60_A      G    60_A     0.578     0    0.198   0.198     1.261   88.214   88.214
LGA    Y    61_A      Y    61_A     0.575     0    0.119   0.225     0.763   90.476   94.444
LGA    T    62_A      T    62_A     0.477     0    0.057   0.141     1.026   97.619   93.265
LGA    S    63_A      S    63_A     0.158     0    0.058   0.521     2.815   86.548   80.794
LGA    K    64_A      K    64_A     3.023     0    0.259   0.771    10.386   61.190   36.032
LGA    E    65_A      E    65_A     1.116     0    0.091   0.169     2.472   72.976   71.164
LGA    P    66_A      P    66_A     2.281     0    0.585   0.586     3.363   63.095   63.878
LGA    I    67_A      I    67_A     2.838     0    0.130   1.085     8.152   52.262   34.464
LGA    N    68_A      N    68_A     3.463     0    0.691   0.978     9.561   61.190   35.119
LGA    E    69_A      E    69_A     2.195     0    0.071   0.948     6.314   64.881   48.254
LGA    R    70_A      R    70_A     3.203     0    0.062   1.540     5.698   55.357   46.450
LGA    R    71_A      R    71_A     3.240     0    0.033   1.415     7.297   57.381   38.658
LGA    V    72_A      V    72_A     1.255     0    0.042   0.274     1.792   81.548   81.497
LGA    I    73_A      I    73_A     0.912     0    0.124   1.556     4.148   92.857   75.595
LGA    R    74_A      R    74_A     2.065     0    0.032   1.359     6.695   72.976   41.948
LGA    I    75_A      I    75_A     2.330     0    0.041   1.145     5.239   68.810   54.345
LGA    I    76_A      I    76_A     1.402     0    0.063   0.534     2.773   83.690   72.381
LGA    N    77_A      N    77_A     0.372     0    0.078   0.879     3.043   97.619   86.726
LGA    K    78_A      K    78_A     2.087     0    0.023   0.927     5.755   66.786   54.444
LGA    L    79_A      L    79_A     2.619     0    0.013   1.418     4.343   60.952   61.548
LGA    T    80_A      T    80_A     1.853     0    0.124   1.191     3.634   72.857   67.483
LGA    K    81_A      K    81_A     1.326     0    0.063   0.347     1.551   81.429   81.481
LGA    K    82_A      K    82_A     1.197     0    0.096   0.597     2.778   85.952   75.344
LGA    F    83_A      F    83_A     0.840     0    0.059   0.235     2.910   85.952   72.641
LGA    T    84_A      T    84_A     2.104     0    0.126   0.135     3.274   68.929   60.816
LGA    W    85_A      W    85_A     1.877     0    0.076   0.271     1.914   72.857   75.918
LGA    L    86_A      L    86_A     1.554     0    0.034   0.333     1.711   77.143   81.607
LGA    G    87_A      G    87_A     1.469     0    0.019   0.019     1.522   79.286   79.286
LGA    E    88_A      E    88_A     0.777     0    0.051   1.009     3.706   90.595   75.026
LGA    C    89_A      C    89_A     0.611     0    0.027   0.057     0.798   90.476   90.476
LGA    V    90_A      V    90_A     0.574     0    0.045   0.153     1.101   95.238   91.905
LGA    K    91_A      K    91_A     0.194     0    0.055   0.744     3.299   97.619   79.153
LGA    E    92_A      E    92_A     0.567     0    0.014   0.404     1.342   97.619   92.646
LGA    F    93_A      F    93_A     0.275     0    0.019   0.212     1.546  100.000   90.736
LGA    D    94_A      D    94_A     0.231     0    0.093   1.166     4.532   97.619   81.429
LGA    I    95_A      I    95_A     0.303     0    0.029   0.726     2.711  100.000   94.643
LGA    T    96_A      T    96_A     0.357     0    0.019   1.239     3.375   95.238   86.122
LGA    E    97_A      E    97_A     0.663     0    0.104   0.891     3.150   90.595   80.159
LGA    I    98_A      I    98_A     0.779     0    0.084   0.747     1.526   90.476   88.274
LGA    G    99_A      G    99_A     1.637     0    0.013   0.013     1.663   75.000   75.000
LGA    E   100_A      E   100_A     1.245     0    0.067   0.954     3.556   81.429   68.413
LGA    Q   101_A      Q   101_A     0.905     0    0.169   1.021     4.524   88.214   74.497
LGA    Y   102_A      Y   102_A     1.117     0    0.128   1.407     8.024   79.286   56.190
LGA    S   103_A      S   103_A     1.458     0    0.044   0.119     2.659   77.143   73.095
LGA    L   104_A      L   104_A     1.656     0    0.155   0.183     2.734   72.857   68.869
LGA    K   105_A      K   105_A     2.235     0    0.068   0.835     5.247   64.881   55.608
LGA    E   106_A      E   106_A     2.295     0    0.082   0.970     3.678   62.857   59.048
LGA    T   107_A      T   107_A     2.066     0    0.017   0.156     2.656   64.881   68.367
LGA    I   108_A      I   108_A     2.618     0    0.034   0.115     3.397   55.476   55.417
LGA    Q   109_A      Q   109_A     3.604     0    0.035   0.166     4.334   43.452   41.323
LGA    D   110_A      D   110_A     4.518     0    0.080   0.135     6.623   37.262   28.393
LGA    L   111_A      L   111_A     3.166     0    0.585   1.352     3.885   50.119   52.857
LGA    C   112_A      C   112_A     1.369     0    0.489   0.822     6.946   66.071   53.492
LGA    A   113_A      A   113_A     4.824     0    0.607   0.544     7.262   36.786   31.429
LGA    K   114_A      K   114_A     2.959     0    0.482   1.003     6.217   37.619   48.148
LGA    D   115_A      D   115_A     8.793     0    0.044   0.958    11.719    5.119    3.333
LGA    F   116_A      F   116_A    10.887     0    0.643   1.081    11.274    0.357    0.130
LGA    H   117_A      H   117_A    10.999     0    0.169   1.330    17.945    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):     2.674          2.685                  3.617           74.413   67.120

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  138  106    4.0     98    1.75    80.660    86.772     5.310

LGA_LOCAL      RMSD:   1.746  Number of atoms:   98  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.770  Number of assigned atoms:  106 
Std_ASGN_ATOMS RMSD:   2.674  Standard rmsd on all 106 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.760340 * X  +  -0.647564 * Y  +   0.050441 * Z  + -36.951668
  Y_new =   0.466491 * X  +   0.490392 * Y  +  -0.736140 * Z  + -53.945293
  Z_new =   0.451962 * X  +   0.583246 * Y  +   0.674948 * Z  + -48.430107 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  0.550309 -0.468963  0.712643   [DEG:   31.5304  -26.8696   40.8315 ]
ZXZ:  0.068414  0.829903  0.659252   [DEG:    3.9198   47.5499   37.7724 ]
 
# END of job
