
#######################################################
#                                                     #
#                        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       3.55     3.55
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    71      40_A - 110_A       1.96     5.60
  LCS_AVERAGE:     58.18

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    49      39_A - 87_A        1.00     5.12
  LONGEST_CONTINUOUS_SEGMENT:    49      40_A - 88_A        0.89     5.20
  LCS_AVERAGE:     38.56

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     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     40   53  113     22   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     40   53  113      3   23   43   50   64   73   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     40   53  113     18   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     40   53  113     12   34   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     40   53  113      4    5   25   47   61   72   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     40   53  113      4   31   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     40   53  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     40   59  113     12   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     40   60  113      9   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     40   60  113     22   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     40   60  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     40   60  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     40   60  113      6   36   43   50   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     40   64  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     48   64  113     23   36   43   53   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     49   70  113     23   36   43   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     49   71  113     33   40   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     49   71  113     19   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     49   71  113     19   36   48   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     49   71  113     26   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     49   71  113     33   42   50   57   63   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     49   71  113     33   42   50   57   61   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     49   71  113     33   42   50   57   61   71   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     49   71  113     33   42   50   57   61   71   80   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     49   71  113     33   42   50   57   61   69   80   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     49   71  113      5   30   50   57   61   67   74   83   89  100  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     49   71  113      5   40   50   57   61   67   74   83   90  100  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     49   71  113      5    6   20   39   61   67   74   81   92  103  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     49   71  113      5   40   50   57   61   67   74   83   93  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     49   71  113     23   42   50   57   61   67   74   83   93  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     49   71  113     33   42   50   57   61   67   74   83   93  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     49   71  113     33   42   50   57   61   71   80   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     49   71  113     33   42   50   57   61   71   80   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     49   71  113     33   42   50   57   61   72   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     49   71  113     33   42   50   57   61   71   80   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     49   71  113     33   42   50   57   63   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     49   71  113     29   42   50   57   61   71   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     49   71  113     22   42   50   57   63   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     49   71  113     33   40   49   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     49   71  113     33   42   50   57   61   71   80   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     49   71  113     33   42   50   57   61   71   80   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     49   71  113     33   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     49   71  113     33   40   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     49   71  113     26   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     49   71  113     13   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     49   71  113     13   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     49   71  113     18   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     49   71  113     16   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     49   71  113     13   41   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     46   71  113      4   30   43   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     38   71  113     17   30   43   57   63   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     38   71  113     20   30   36   55   61   74   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     38   71  113     20   30   35   39   59   67   74   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     38   71  113     20   30   35   39   52   67   74   84   94  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     38   71  113     20   30   35   39   59   67   74   84   94  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     38   71  113     20   30   35   54   61   67   74   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     38   71  113     20   30   44   57   61   67   80   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     38   71  113     20   30   50   57   61   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     38   71  113     20   42   50   57   61   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     38   71  113     25   42   50   57   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     38   71  113     18   30   47   53   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     38   71  113     18   30   35   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     38   71  113      3   26   39   51   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     38   71  113      5   26   40   52   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     38   71  113      5   30   41   56   64   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     38   71  113     20   30   50   57   61   75   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     38   71  113     20   30   46   57   61   67   82   88   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     38   71  113     20   30   44   57   61   67   74   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     38   71  113     20   30   35   54   61   67   74   84   94  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     38   71  113     18   30   35   46   60   67   74   80   92  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     38   71  113      9   30   35   40   58   67   74   76   84   90   99  109  111  112  112  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     38   70  113     20   30   35   39   50   64   74   76   78   86   91   98  110  112  112  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     38   69  113     20   30   35   39   55   67   74   76   84   90  104  110  111  112  112  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     38   66  113     20   30   35   39   59   67   74   79   87   99  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     38   60  113     20   30   35   39   52   67   74   79   92  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     38   60  113     20   30   35   39   53   67   74   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     38   60  113     20   30   35   39   59   67   74   86   95  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     38   60  113     20   30   35   39   59   67   74   84   94  104  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     38   59  113     20   30   35   38   45   60   72   76   80   91  109  110  111  112  112  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     38   55  113      3    3   30   36   37   43   47   53   65   75   79   80   87   92  107  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  65.58  (  38.56   58.18  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     33     42     50     57     64     75     82     88     95    104    109    110    111    112    112    113    113    113    113    113 
GDT PERCENT_AT  29.20  37.17  44.25  50.44  56.64  66.37  72.57  77.88  84.07  92.04  96.46  97.35  98.23  99.12  99.12 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.25   0.59   0.82   1.16   1.58   1.96   2.15   2.35   2.70   3.10   3.30   3.35   3.41   3.47   3.47   3.55   3.55   3.55   3.55   3.55
GDT RMS_ALL_AT   5.62   5.42   5.31   5.36   4.60   4.21   4.09   4.20   3.83   3.63   3.58   3.57   3.55   3.55   3.55   3.55   3.55   3.55   3.55   3.55

# Checking swapping
#   possible swapping detected:  Y    34_A      Y    34_A
#   possible swapping detected:  E    56_A      E    56_A
#   possible swapping detected:  E    61_A      E    61_A
#   possible swapping detected:  Y    63_A      Y    63_A
#   possible swapping detected:  E    64_A      E    64_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     1.106     0    0.050   0.586     2.603   79.286   83.968
LGA    C     8_A      C     8_A     1.555     0    0.042   0.075     2.109   72.976   72.937
LGA    A     9_A      A     9_A     2.553     0    0.049   0.054     3.086   57.262   57.238
LGA    S    10_A      S    10_A     2.256     0    0.035   0.142     2.464   64.762   66.111
LGA    N    11_A      N    11_A     1.945     0    0.022   0.981     6.240   70.833   51.726
LGA    P    12_A      P    12_A     1.176     0    0.020   0.069     1.303   85.952   84.014
LGA    C    13_A      C    13_A     0.748     0    0.073   0.089     1.083   88.214   88.968
LGA    L    14_A      L    14_A     1.474     0    0.019   0.123     2.167   81.429   75.119
LGA    N    15_A      N    15_A     1.708     0    0.614   0.586     2.537   68.929   70.893
LGA    Q    16_A      Q    16_A     3.396     0    0.005   0.743     6.734   51.786   38.571
LGA    G    17_A      G    17_A     1.967     0    0.058   0.058     2.267   66.786   66.786
LGA    T    18_A      T    18_A     2.665     0    0.065   1.175     4.622   62.857   57.959
LGA    C    19_A      C    19_A     1.873     0    0.082   0.116     2.273   66.786   70.238
LGA    I    20_A      I    20_A     2.517     0    0.019   0.648     3.197   64.881   60.179
LGA    D    21_A      D    21_A     2.080     0    0.012   0.055     2.801   62.857   63.869
LGA    D    22_A      D    22_A     2.386     0    0.078   0.896     6.500   73.214   51.548
LGA    V    23_A      V    23_A     1.561     0    0.000   0.090     3.355   72.976   66.259
LGA    A    24_A      A    24_A     3.443     0    0.547   0.564     5.178   57.262   51.048
LGA    G    25_A      G    25_A     1.781     0    0.122   0.122     2.683   69.048   69.048
LGA    Y    26_A      Y    26_A     1.276     0    0.020   0.124     1.460   81.429   90.635
LGA    K    27_A      K    27_A     1.820     0    0.020   0.588     3.282   72.857   65.026
LGA    C    28_A      C    28_A     1.481     0    0.013   0.020     2.012   72.976   80.397
LGA    N    29_A      N    29_A     2.540     0    0.075   1.119     5.291   62.857   56.310
LGA    C    30_A      C    30_A     2.128     0    0.027   0.044     2.902   60.952   66.349
LGA    L    31_A      L    31_A     2.787     0    0.188   0.247     4.148   62.857   52.381
LGA    L    32_A      L    32_A     1.460     0    0.056   0.221     1.999   79.286   77.143
LGA    P    33_A      P    33_A     0.573     0    0.246   0.250     1.686   86.071   85.374
LGA    Y    34_A      Y    34_A     0.800     0    0.043   0.171     3.323   83.690   74.802
LGA    T    35_A      T    35_A     1.596     0    0.072   0.102     2.589   77.143   70.748
LGA    G    36_A      G    36_A     2.541     0    0.056   0.056     2.541   64.881   64.881
LGA    A    37_A      A    37_A     1.803     0    0.068   0.078     2.137   77.381   74.857
LGA    T    38_A      T    38_A     0.800     0    0.020   0.119     2.024   85.952   81.633
LGA    C    39_A      C    39_A     0.449     0    0.021   0.035     1.265   90.595   89.048
LGA    E    40_A      E    40_A     1.830     0    0.038   0.239     2.523   69.048   67.566
LGA    V    41_A      V    41_A     2.238     0    0.075   0.123     2.797   72.976   67.279
LGA    V    42_A      V    42_A     1.986     0    0.039   0.076     2.416   66.786   67.075
LGA    L    43_A      L    43_A     1.612     0    0.288   0.316     2.203   79.405   76.190
LGA    A    44_A      A    44_A     2.012     0    0.213   0.226     2.337   70.952   69.714
LGA    P    45_A      P    45_A     2.160     0    0.036   0.090     3.217   70.952   62.993
LGA    C    46_A      C    46_A     1.028     0    0.024   0.062     2.028   85.952   81.667
LGA    A    47_A      A    47_A     0.778     0    0.026   0.025     1.433   88.333   88.762
LGA    P    48_A      P    48_A     1.460     0    0.055   0.348     2.035   75.119   75.374
LGA    S    49_A      S    49_A     1.197     0    0.033   0.056     1.807   79.286   77.143
LGA    P    50_A      P    50_A     1.621     0    0.013   0.061     1.879   77.143   79.048
LGA    C    51_A      C    51_A     0.572     0    0.020   0.048     1.547   83.810   84.524
LGA    R    52_A      R    52_A     1.722     0    0.030   0.125     3.979   77.143   61.299
LGA    N    53_A      N    53_A     2.545     0    0.023   0.088     3.452   59.048   59.107
LGA    G    54_A      G    54_A     3.313     0    0.028   0.028     3.512   51.905   51.905
LGA    G    55_A      G    55_A     2.174     0    0.012   0.012     2.426   64.762   64.762
LGA    E    56_A      E    56_A     3.265     0    0.038   1.170     4.501   53.571   48.995
LGA    C    57_A      C    57_A     2.428     0    0.040   0.093     3.403   55.476   61.270
LGA    R    58_A      R    58_A     4.179     0    0.026   1.259    12.338   40.357   21.299
LGA    Q    59_A      Q    59_A     4.351     0    0.036   1.037     5.629   30.476   40.370
LGA    S    60_A      S    60_A     6.172     0    0.028   0.045     6.542   20.476   18.730
LGA    E    61_A      E    61_A     6.585     0    0.075   0.765    10.048   16.310    8.995
LGA    D    62_A      D    62_A     6.213     0    0.431   1.175     6.669   17.262   18.393
LGA    Y    63_A      Y    63_A     5.227     0    0.201   0.244     5.417   26.190   28.810
LGA    E    64_A      E    64_A     5.156     0    0.069   0.884     5.287   26.190   31.958
LGA    S    65_A      S    65_A     5.089     0    0.069   0.070     6.129   28.810   25.635
LGA    F    66_A      F    66_A     4.153     0    0.013   0.119     4.507   35.714   44.848
LGA    S    67_A      S    67_A     4.128     0    0.036   0.676     4.797   41.905   41.508
LGA    C    68_A      C    68_A     2.888     0    0.051   0.081     3.767   50.119   56.349
LGA    V    69_A      V    69_A     3.937     0    0.016   0.030     5.154   46.667   38.639
LGA    C    70_A      C    70_A     2.516     0    0.013   0.031     3.543   51.905   56.190
LGA    P    71_A      P    71_A     3.190     0    0.058   0.068     3.300   57.262   57.279
LGA    T    72_A      T    72_A     2.638     0    0.628   0.646     4.102   67.500   59.184
LGA    G    73_A      G    73_A     1.990     0    0.043   0.043     2.974   75.476   75.476
LGA    W    74_A      W    74_A     0.844     0    0.062   1.090     4.520   79.524   69.354
LGA    Q    75_A      Q    75_A     2.290     0    0.071   0.386     4.251   64.881   56.772
LGA    G    76_A      G    76_A     3.638     0    0.037   0.037     3.638   46.667   46.667
LGA    Q    77_A      Q    77_A     3.943     0    0.028   0.825     6.283   46.667   36.667
LGA    T    78_A      T    78_A     2.164     0    0.009   0.039     3.049   69.048   64.014
LGA    C    79_A      C    79_A     1.333     0    0.038   0.050     1.846   79.286   81.508
LGA    E    80_A      E    80_A     2.372     0    0.017   0.242     5.018   64.881   51.799
LGA    V    81_A      V    81_A     2.300     0    0.058   0.084     3.152   68.810   62.789
LGA    D    82_A      D    82_A     1.335     0    0.033   0.868     3.708   77.143   67.560
LGA    I    83_A      I    83_A     1.492     0    0.091   0.097     2.392   81.429   76.190
LGA    N    84_A      N    84_A     1.974     0    0.129   0.218     3.998   77.143   63.631
LGA    E    85_A      E    85_A     0.695     0    0.067   0.793     2.551   88.214   82.910
LGA    C    86_A      C    86_A     1.113     0    0.047   0.058     1.958   81.548   78.651
LGA    V    87_A      V    87_A     2.169     0    0.103   0.930     4.366   64.881   55.850
LGA    L    88_A      L    88_A     1.742     0    0.457   0.353     6.025   75.238   54.107
LGA    S    89_A      S    89_A     1.999     0    0.367   0.707     5.720   73.214   60.714
LGA    P    90_A      P    90_A     2.808     0    0.115   0.208     3.954   53.810   54.286
LGA    C    91_A      C    91_A     4.228     0    0.100   0.124     4.539   38.810   39.286
LGA    R    92_A      R    92_A     6.181     0    0.048   1.564     8.524   16.310   15.325
LGA    H    93_A      H    93_A     7.896     0    0.057   1.138    10.109    6.786    4.095
LGA    G    94_A      G    94_A     7.482     0    0.025   0.025     7.482   10.000   10.000
LGA    A    95_A      A    95_A     6.485     0    0.027   0.030     6.756   19.524   19.048
LGA    S    96_A      S    96_A     5.602     0    0.038   0.544     7.990   23.810   19.921
LGA    C    97_A      C    97_A     3.718     0    0.021   0.026     4.369   41.786   48.175
LGA    Q    98_A      Q    98_A     3.780     0    0.039   0.206     5.846   48.452   36.825
LGA    N    99_A      N    99_A     2.158     0    0.108   0.837     2.896   62.857   61.905
LGA    T   100_A      T   100_A     1.963     0    0.051   1.045     3.008   75.000   69.660
LGA    H   101_A      H   101_A     2.224     0    0.610   1.340     4.997   61.429   54.619
LGA    G   102_A      G   102_A     2.066     0    0.035   0.035     2.437   70.952   70.952
LGA    G   103_A      G   103_A     1.736     0    0.084   0.084     1.736   77.143   77.143
LGA    Y   104_A      Y   104_A     2.095     0    0.022   0.080     3.998   62.976   57.421
LGA    R   105_A      R   105_A     3.432     0    0.048   1.528     6.281   48.452   43.853
LGA    C   106_A      C   106_A     5.124     0    0.104   0.143     6.577   23.095   25.000
LGA    H   107_A      H   107_A     6.885     0    0.043   1.119     8.137   12.619   13.619
LGA    C   108_A      C   108_A     7.923     0    0.027   0.089     9.046    5.119    5.397
LGA    Q   109_A      Q   109_A     9.025     0    0.048   0.667    10.083    1.786    2.751
LGA    A   110_A      A   110_A    11.074     0    0.020   0.021    11.815    0.000    0.000
LGA    G   111_A      G   111_A    11.811     0    0.139   0.139    11.811    0.000    0.000
LGA    Y   112_A      Y   112_A    10.091     0    0.048   0.168    11.250    0.238    0.238
LGA    S   113_A      S   113_A     9.203     0    0.078   0.685    10.706    1.905    1.349
LGA    G   114_A      G   114_A     8.044     0    0.042   0.042     8.432    8.214    8.214
LGA    R   115_A      R   115_A     6.268     0    0.048   0.798     6.975   17.262   25.628
LGA    N   116_A      N   116_A     6.085     0    0.010   0.067     6.616   15.238   19.048
LGA    C   117_A      C   117_A     7.652     0    0.051   0.076     8.463    6.667    8.333
LGA    E   118_A      E   118_A     8.609     0    0.026   1.029    10.226    2.024    5.767
LGA    T   119_A      T   119_A    11.770     0    0.406   1.225    13.969    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):     3.546          3.515                  3.867           55.240   52.668

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0     88    2.35    66.372    67.856     3.586

LGA_LOCAL      RMSD:   2.354  Number of atoms:   88  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   4.203  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   3.546  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.144562 * X  +  -0.186730 * Y  +  -0.971717 * Z  + -39.350655
  Y_new =  -0.536007 * X  +  -0.840249 * Y  +   0.081724 * Z  +  57.533806
  Z_new =  -0.831744 * X  +   0.509033 * Y  +  -0.221557 * Z  +  20.949650 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.307362  0.982242  1.981317   [DEG:  -74.9063   56.2783  113.5211 ]
ZXZ: -1.654702  1.794207 -1.021595   [DEG:  -94.8074  102.8005  -58.5331 ]
 
# END of job
