
#######################################################
#                                                     #
#                        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  119 (  870),  selected  113 , name one
# Molecule2: number of CA atoms  113 (  828),  selected  113 , 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:   113       7_A - 119_A       3.48     3.48
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73      45_A - 117_A       2.00     6.29
  LCS_AVERAGE:     59.97

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    48      40_A - 87_A        0.99     5.10
  LCS_AVERAGE:     38.30

LCS_GDT    MOLECULE-1    MOLECULE-2     LCS_DETAILS     GDT_DETAILS                                                    TOTAL NUMBER OF RESIDUE PAIRS:  113
LCS_GDT     RESIDUE       RESIDUE       SEGMENT_SIZE    GLOBAL DISTANCE TEST COLUMNS: number of residues under the threshold assigned to each residue pair
LCS_GDT   NAME NUMBER   NAME NUMBER    1.0  2.0  5.0    0.5  1.0  1.5  2.0  2.5  3.0  3.5  4.0  4.5  5.0  5.5  6.0  6.5  7.0  7.5  8.0  8.5  9.0  9.5 10.0
LCS_GDT     E     7_A     E     7_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     41   53  113     20   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     41   53  113      3   30   44   56   63   72   81   86   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     41   53  113     24   37   44   57   64   73   81   87   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     41   53  113     24   37   44   57   64   73   81   88   96  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     41   53  113     11   34   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     41   53  113      4    5    8   52   61   70   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     41   53  113      5   31   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     41   53  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     41   58  113     23   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     41   60  113     23   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     41   60  113     23   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     41   60  113     23   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     41   60  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     41   60  113     12   37   44   55   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     41   64  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     46   71  113     24   37   45   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     46   72  113     24   37   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     48   72  113     26   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     48   72  113     19   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     48   72  113     26   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     48   72  113     21   37   48   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     48   72  113     26   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     48   73  113     22   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     48   73  113     26   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     48   73  113     26   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     48   73  113      5   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     48   73  113      4   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     48   73  113     26   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     48   73  113     26   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     48   73  113     26   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     48   73  113     26   37   49   56   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     48   73  113     26   37   49   56   62   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     48   73  113     26   37   49   56   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     48   73  113     26   37   49   56   62   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     48   73  113     26   37   49   56   63   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     48   73  113     26   37   49   56   62   72   80   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     48   73  113     26   37   49   56   62   71   80   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     48   73  113      4   32   49   56   62   68   75   84   91  101  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     48   73  113      5   36   49   56   62   68   75   84   94  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     48   73  113      4    5   28   38   59   68   75   84   94  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     48   73  113      4   36   49   56   62   68   77   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     48   73  113     12   37   49   56   62   68   79   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     48   73  113     26   37   49   56   62   68   78   88   95  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     48   73  113     26   37   49   56   62   71   80   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     48   73  113     26   37   49   56   62   72   80   88   95  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     48   73  113     26   37   49   56   62   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     48   73  113     26   37   49   56   62   72   80   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     48   73  113     26   37   49   56   62   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     48   73  113     24   37   49   56   62   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     48   73  113     21   37   49   56   62   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     48   73  113     23   37   49   56   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     48   73  113     24   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     48   73  113     24   37   49   56   62   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     48   73  113     21   36   49   56   62   72   80   88   95  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     48   73  113     21   35   49   56   62   68   80   88   92  103  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     48   73  113     26   37   49   56   63   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     48   73  113     26   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     48   73  113     26   37   49   56   63   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     48   73  113     26   37   49   56   62   72   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     48   73  113     26   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     48   73  113     19   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     48   73  113     11   36   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     48   73  113      9   36   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     48   73  113     19   36   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     48   73  113     12   36   49   56   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     45   73  113     10   36   49   56   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     38   73  113      3   33   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     38   73  113     12   31   39   56   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     38   73  113     21   31   36   56   63   73   81   87   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     38   73  113     21   31   36   42   62   68   76   86   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     38   73  113     21   31   36   42   56   68   75   85   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     38   73  113     19   31   36   50   62   68   75   85   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     38   73  113     21   31   36   55   62   68   76   86   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     38   73  113     21   31   40   56   62   68   80   86   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     38   73  113     21   31   48   56   63   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     38   73  113     21   36   49   56   63   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     38   73  113     21   37   49   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     38   73  113     20   36   48   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     38   73  113     21   31   42   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     38   73  113     20   33   44   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     38   73  113      4   27   43   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     38   73  113      5   31   48   57   64   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     38   73  113     21   31   48   56   63   73   81   88   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     38   73  113     21   31   43   56   62   68   80   86   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     38   73  113     21   31   40   56   62   68   75   86   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     38   73  113     21   31   36   56   62   68   75   85   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     38   73  113     12   31   36   51   62   68   75   82   94  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     38   73  113      5   18   36   43   62   68   75   79   87   93  105  111  111  112  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     38   73  113     21   31   36   42   53   65   74   79   79   86   90   98  109  112  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     38   73  113     21   31   36   42   57   68   75   79   87   94  108  111  111  112  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     38   73  113     21   31   36   42   62   68   75   82   89  103  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     38   73  113     21   31   36   42   57   68   75   82   94  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     38   73  113     21   31   36   42   61   68   75   86   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     38   73  113     21   31   36   42   62   68   75   86   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     38   73  113     21   31   36   42   62   68   75   82   97  104  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     38   71  113     21   30   36   42   48   64   73   79   85   98  109  111  111  112  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     38   60  113      3    3   30   36   38   44   49   55   67   75   79   80   88  103  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  66.09  (  38.30   59.97  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     26     37     49     57     64     73     81     88     97    104    109    111    111    112    113    113    113    113    113    113 
GDT PERCENT_AT  23.01  32.74  43.36  50.44  56.64  64.60  71.68  77.88  85.84  92.04  96.46  98.23  98.23  99.12 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.29   0.51   0.86   1.30   1.55   1.86   2.07   2.41   2.83   3.06   3.24   3.34   3.34   3.40   3.48   3.48   3.48   3.48   3.48   3.48
GDT RMS_ALL_AT   5.66   5.36   5.23   4.40   4.30   4.07   4.06   4.18   3.60   3.55   3.51   3.48   3.48   3.48   3.48   3.48   3.48   3.48   3.48   3.48

# Checking swapping
#   possible swapping detected:  Y    34_A      Y    34_A
#   possible swapping detected:  E    61_A      E    61_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  Y   104_A      Y   104_A
#   possible swapping detected:  Y   112_A      Y   112_A
#   possible swapping detected:  E   118_A      E   118_A

#      Molecule1      Molecule2  DISTANCE    Mis    MC     All    Dist_max   GDC_mc  GDC_all
LGA    E     7_A      E     7_A     1.070     0    0.048   0.583     2.932   79.286   81.852
LGA    C     8_A      C     8_A     1.736     0    0.042   0.073     2.357   68.810   67.460
LGA    A     9_A      A     9_A     2.769     0    0.049   0.054     3.357   57.262   57.238
LGA    S    10_A      S    10_A     2.427     0    0.036   0.142     2.679   62.857   64.841
LGA    N    11_A      N    11_A     2.222     0    0.022   0.984     6.656   66.786   47.619
LGA    P    12_A      P    12_A     1.283     0    0.022   0.071     1.455   81.429   81.429
LGA    C    13_A      C    13_A     0.939     0    0.076   0.093     1.373   83.690   82.937
LGA    L    14_A      L    14_A     1.729     0    0.018   0.120     2.445   75.000   71.905
LGA    N    15_A      N    15_A     2.169     0    0.617   0.592     2.675   62.857   64.821
LGA    Q    16_A      Q    16_A     3.873     0    0.038   0.711     7.357   46.667   33.598
LGA    G    17_A      G    17_A     2.400     0    0.075   0.075     2.692   59.048   59.048
LGA    T    18_A      T    18_A     3.137     0    0.030   1.176     5.429   55.357   50.816
LGA    C    19_A      C    19_A     2.206     0    0.067   0.096     2.722   60.952   64.921
LGA    I    20_A      I    20_A     2.863     0    0.037   0.055     3.409   59.048   54.524
LGA    D    21_A      D    21_A     2.444     0    0.013   0.048     3.296   57.262   60.119
LGA    D    22_A      D    22_A     2.990     0    0.079   0.893     7.140   65.119   44.583
LGA    V    23_A      V    23_A     2.359     0    0.009   0.088     4.334   64.881   56.667
LGA    A    24_A      A    24_A     3.866     0    0.546   0.564     5.684   51.905   45.810
LGA    G    25_A      G    25_A     2.179     0    0.131   0.131     3.032   61.190   61.190
LGA    Y    26_A      Y    26_A     1.594     0    0.019   0.125     1.771   72.857   87.024
LGA    K    27_A      K    27_A     2.146     0    0.016   0.568     3.959   64.762   57.407
LGA    C    28_A      C    28_A     1.824     0    0.043   0.061     2.383   68.810   74.524
LGA    N    29_A      N    29_A     2.912     0    0.018   1.295     5.809   59.048   51.012
LGA    C    30_A      C    30_A     2.426     0    0.054   0.085     3.309   57.262   61.111
LGA    L    31_A      L    31_A     3.162     0    0.195   1.082     5.576   53.571   47.500
LGA    L    32_A      L    32_A     2.019     0    0.058   0.243     2.462   66.786   66.786
LGA    P    33_A      P    33_A     1.101     0    0.252   0.255     1.957   81.548   80.340
LGA    Y    34_A      Y    34_A     1.202     0    0.039   0.174     3.948   77.143   66.111
LGA    T    35_A      T    35_A     1.562     0    0.074   0.107     2.698   77.143   70.748
LGA    G    36_A      G    36_A     2.554     0    0.058   0.058     2.554   64.881   64.881
LGA    A    37_A      A    37_A     1.957     0    0.066   0.077     2.249   75.119   73.048
LGA    T    38_A      T    38_A     0.716     0    0.019   0.122     2.077   85.952   81.633
LGA    C    39_A      C    39_A     0.472     0    0.022   0.038     1.451   90.714   87.619
LGA    E    40_A      E    40_A     1.896     0    0.038   0.232     2.588   69.048   66.720
LGA    V    41_A      V    41_A     2.105     0    0.074   0.118     2.755   75.238   68.571
LGA    V    42_A      V    42_A     1.691     0    0.042   0.089     2.517   68.810   67.143
LGA    L    43_A      L    43_A     1.012     0    0.297   0.313     1.733   83.690   82.619
LGA    A    44_A      A    44_A     1.500     0    0.207   0.223     1.914   79.286   78.000
LGA    P    45_A      P    45_A     1.718     0    0.040   0.116     2.654   77.143   70.748
LGA    C    46_A      C    46_A     0.885     0    0.098   0.115     1.713   88.214   84.524
LGA    A    47_A      A    47_A     0.828     0    0.572   0.528     4.496   73.095   76.571
LGA    P    48_A      P    48_A     0.916     0    0.673   0.680     4.017   68.333   72.857
LGA    S    49_A      S    49_A     1.422     0    0.289   0.640     3.383   77.381   72.063
LGA    P    50_A      P    50_A     1.619     0    0.068   0.085     1.824   77.143   77.755
LGA    C    51_A      C    51_A     0.415     0    0.027   0.064     1.581   90.595   87.619
LGA    R    52_A      R    52_A     1.538     0    0.024   0.099     3.845   79.405   64.805
LGA    N    53_A      N    53_A     2.341     0    0.021   0.112     3.258   62.857   62.976
LGA    G    54_A      G    54_A     3.049     0    0.028   0.028     3.255   53.571   53.571
LGA    G    55_A      G    55_A     2.071     0    0.017   0.017     2.310   64.762   64.762
LGA    E    56_A      E    56_A     3.037     0    0.030   1.119     4.093   55.357   51.905
LGA    C    57_A      C    57_A     2.234     0    0.070   0.130     2.942   60.952   66.349
LGA    R    58_A      R    58_A     3.720     0    0.026   1.264    11.674   45.000   25.455
LGA    Q    59_A      Q    59_A     3.804     0    0.041   1.032     4.978   37.381   47.302
LGA    S    60_A      S    60_A     5.514     0    0.024   0.045     5.952   27.619   25.556
LGA    E    61_A      E    61_A     5.508     0    0.071   0.763     8.876   26.548   15.873
LGA    D    62_A      D    62_A     5.304     0    0.440   1.169     6.137   23.929   27.262
LGA    Y    63_A      Y    63_A     4.278     0    0.146   0.279     4.456   37.143   37.143
LGA    E    64_A      E    64_A     4.167     0    0.061   0.540     5.717   37.143   35.450
LGA    S    65_A      S    65_A     4.442     0    0.058   0.064     5.344   37.143   33.492
LGA    F    66_A      F    66_A     3.756     0    0.018   0.166     4.062   40.238   48.398
LGA    S    67_A      S    67_A     3.822     0    0.141   0.555     4.337   45.000   43.413
LGA    C    68_A      C    68_A     2.772     0    0.059   0.091     3.476   53.571   58.651
LGA    V    69_A      V    69_A     3.704     0    0.031   0.041     4.808   48.333   41.905
LGA    C    70_A      C    70_A     2.403     0    0.015   0.029     3.344   55.476   59.921
LGA    P    71_A      P    71_A     3.019     0    0.045   0.078     3.102   57.262   58.367
LGA    T    72_A      T    72_A     2.725     0    0.009   0.052     3.492   60.952   57.279
LGA    G    73_A      G    73_A     1.167     0    0.036   0.036     1.792   86.190   86.190
LGA    W    74_A      W    74_A     0.784     0    0.032   0.170     2.400   81.548   79.218
LGA    Q    75_A      Q    75_A     2.300     0    0.074   0.397     4.445   64.881   55.291
LGA    G    76_A      G    76_A     3.716     0    0.045   0.045     3.716   46.667   46.667
LGA    Q    77_A      Q    77_A     4.124     0    0.016   0.249     5.535   43.571   34.550
LGA    T    78_A      T    78_A     2.085     0    0.046   0.058     2.970   69.048   65.034
LGA    C    79_A      C    79_A     1.267     0    0.043   0.057     1.777   81.548   83.016
LGA    E    80_A      E    80_A     2.249     0    0.020   0.213     4.749   64.881   53.862
LGA    V    81_A      V    81_A     2.406     0    0.070   0.100     3.406   68.810   61.769
LGA    D    82_A      D    82_A     1.269     0    0.053   0.196     1.711   79.286   80.357
LGA    I    83_A      I    83_A     1.130     0    0.098   0.100     1.794   83.690   80.417
LGA    N    84_A      N    84_A     1.734     0    0.124   0.218     3.660   79.286   64.702
LGA    E    85_A      E    85_A     0.771     0    0.071   0.810     2.284   88.214   83.651
LGA    C    86_A      C    86_A     1.203     0    0.055   0.068     2.238   81.429   77.222
LGA    V    87_A      V    87_A     1.376     0    0.106   0.922     3.500   79.286   70.000
LGA    L    88_A      L    88_A     0.910     0    0.457   0.352     5.509   84.048   61.369
LGA    S    89_A      S    89_A     2.460     0    0.366   0.707     6.019   65.119   53.492
LGA    P    90_A      P    90_A     3.266     0    0.116   0.208     4.305   46.905   47.347
LGA    C    91_A      C    91_A     4.635     0    0.102   0.125     4.945   35.833   35.317
LGA    R    92_A      R    92_A     6.519     0    0.045   1.558     9.110   13.690   13.203
LGA    H    93_A      H    93_A     8.229     0    0.053   1.138    10.377    5.595    3.429
LGA    G    94_A      G    94_A     7.814     0    0.022   0.022     7.814    7.857    7.857
LGA    A    95_A      A    95_A     6.781     0    0.024   0.029     7.073   15.476   15.048
LGA    S    96_A      S    96_A     5.848     0    0.048   0.541     8.023   21.548   18.016
LGA    C    97_A      C    97_A     4.010     0    0.020   0.029     4.628   37.262   42.698
LGA    Q    98_A      Q    98_A     3.876     0    0.033   0.203     5.888   48.452   37.354
LGA    N    99_A      N    99_A     2.151     0    0.111   0.834     2.917   66.905   66.845
LGA    T   100_A      T   100_A     1.624     0    0.065   1.061     3.162   79.405   72.177
LGA    H   101_A      H   101_A     1.303     0    0.112   0.998     3.308   81.429   75.286
LGA    G   102_A      G   102_A     1.240     0    0.028   0.028     1.836   79.286   79.286
LGA    G   103_A      G   103_A     1.990     0    0.055   0.055     1.990   72.857   72.857
LGA    Y   104_A      Y   104_A     2.377     0    0.035   0.081     4.118   60.952   53.889
LGA    R   105_A      R   105_A     3.609     0    0.055   1.529     6.187   41.905   42.597
LGA    C   106_A      C   106_A     5.365     0    0.104   0.146     6.695   22.024   23.492
LGA    H   107_A      H   107_A     6.963     0    0.042   1.118     8.102   12.619   13.143
LGA    C   108_A      C   108_A     8.008     0    0.018   0.060     8.880    4.881    5.238
LGA    Q   109_A      Q   109_A     9.000     0    0.074   1.124     9.598    2.143    3.545
LGA    A   110_A      A   110_A    10.758     0    0.658   0.608    11.433    0.000    0.000
LGA    G   111_A      G   111_A    11.901     0    0.059   0.059    11.901    0.000    0.000
LGA    Y   112_A      Y   112_A     9.976     0    0.050   0.182    11.410    0.595    0.357
LGA    S   113_A      S   113_A     9.037     0    0.068   0.124     9.749    2.143    1.587
LGA    G   114_A      G   114_A     7.986     0    0.039   0.039     8.376    7.976    7.976
LGA    R   115_A      R   115_A     6.315     0    0.045   0.807     6.979   17.262   25.628
LGA    N   116_A      N   116_A     6.267     0    0.000   0.065     6.841   15.238   17.857
LGA    C   117_A      C   117_A     7.771     0    0.043   0.075     8.567    6.190    6.984
LGA    E   118_A      E   118_A     8.721     0    0.031   1.031    10.435    2.024    5.767
LGA    T   119_A      T   119_A    11.835     0    0.383   1.207    14.418    0.000    0.000

# RMSD_GDC results:       CA      MC common percent     ALL common percent   GDC_mc  GDC_all
NUMBER_OF_ATOMS_AA:      113     452    452  100.00     828    828  100.00               113
SUMMARY(RMSD_GDC):     3.476          3.450                  3.770           54.943   52.546

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0     88    2.41    65.265    67.864     3.511

LGA_LOCAL      RMSD:   2.406  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.182  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   3.476  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.706883 * X  +  -0.398168 * Y  +   0.584619 * Z  + -37.465572
  Y_new =  -0.445798 * X  +  -0.892484 * Y  +  -0.068818 * Z  +  55.588081
  Z_new =   0.549164 * X  +  -0.211975 * Y  +  -0.808384 * Z  +  16.810577 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -0.562654 -0.581364 -2.885145   [DEG:  -32.2377  -33.3097 -165.3067 ]
ZXZ:  1.453621  2.512198  1.939172   [DEG:   83.2863  143.9384  111.1064 ]
 
# END of job
