
#######################################################
#                                                     #
#                        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  117 (  859),  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       2.22     2.22
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   101       7_A - 107_A       1.99     2.37
  LCS_AVERAGE:     88.71

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    76       7_A - 82_A        0.98     3.82
  LONGEST_CONTINUOUS_SEGMENT:    76       8_A - 83_A        1.00     3.73
  LCS_AVERAGE:     60.18

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     76  101  113     27   57   72   78   88   98  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     76  101  113     29   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     76  101  113     29   57   71   78   87   96  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     76  101  113     29   58   72   78   87   97  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     76  101  113     29   60   73   78   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     76  101  113     29   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     76  101  113     26   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     76  101  113     29   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     76  101  113     29   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     76  101  113     26   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     76  101  113      4    5    5   45   65   91  102  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     76  101  113     22   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     76  101  113     29   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     76  101  113     29   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     76  101  113     29   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     76  101  113     29   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     76  101  113     27   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     76  101  113     24   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     76  101  113     27   59   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     76  101  113     22   42   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     76  101  113     22   50   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     76  101  113     29   59   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     76  101  113     22   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     76  101  113     22   60   73   79   89   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     76  101  113     24   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     76  101  113     24   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     76  101  113     28   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     76  101  113     29   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     76  101  113     22   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     76  101  113     28   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     76  101  113     30   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     76  101  113     28   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     76  101  113     24   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     76  101  113     26   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     76  101  113     26   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     76  101  113     26   55   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     76  101  113     24   53   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     76  101  113     24   58   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     76  101  113     26   59   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     76  101  113     26   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     76  101  113     24   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     76  101  113     24   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     76  101  113     24   60   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     76  101  113     24   52   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     76  101  113     24   51   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     76  101  113     20   42   72   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     76  101  113     20   42   72   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     72  101  113     19   40   63   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     61  101  113     19   40   61   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     50  101  113     23   39   56   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     50  101  113     19   40   61   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     50  101  113      3   33   56   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     50  101  113      3   26   56   78   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     50  101  113     19   39   56   74   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     50  101  113     23   39   56   67   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     50  101  113     23   39   56   66   80   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     50  101  113     23   38   53   63   72   81  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     50  101  113     18   39   56   65   72   83  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     50  101  113     23   39   56   67   82   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     50  101  113     23   39   56   67   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     50  101  113     23   39   56   76   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     50  101  113     23   39   56   78   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     50  101  113     23   39   56   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     50  101  113     18   34   50   79   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     50  101  113     18   34   42   58   85   95  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     50  101  113     23   34   73   78   87   96  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     50  101  113     16   55   73   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     50  101  113     23   40   65   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     50  101  113     23   39   56   80   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     50  101  113     23   39   56   74   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     50  101  113     23   39   56   67   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     50   99  113     23   39   56   67   87   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     50   98  113     23   39   54   65   72   89  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     50   93  113     16   34   49   60   70   77  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     50   93  113     23   36   53   63   75   85  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     50   93  113     23   39   56   66   78   98  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     50   93  113     23   39   56   67   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     50   93  113     23   39   56   70   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     50   93  113     23   39   56   76   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     50   93  113     23   39   56   67   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     50   93  113     23   39   56   67   90   99  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     50   93  113     16   34   49   60   72   82  104  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     50   93  113      8   34   42   58   69   77   92  110  113  113  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  82.97  (  60.18   88.71  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     60     73     80     90     99    104    110    113    113    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  26.55  53.10  64.60  70.80  79.65  87.61  92.04  97.35 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.34   0.64   0.85   1.25   1.58   1.85   1.94   2.13   2.22   2.22   2.22   2.22   2.22   2.22   2.22   2.22   2.22   2.22   2.22   2.22
GDT RMS_ALL_AT   4.85   4.17   3.76   2.95   2.49   2.27   2.30   2.24   2.22   2.22   2.22   2.22   2.22   2.22   2.22   2.22   2.22   2.22   2.22   2.22

# Checking swapping
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  F    66_A      F    66_A
#   possible swapping detected:  E    85_A      E    85_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     2.931     0    0.096   0.847     3.854   55.357   56.561
LGA    C     8_A      C     8_A     2.609     0    0.043   0.061     2.906   57.143   59.683
LGA    A     9_A      A     9_A     3.515     0    0.037   0.037     3.965   48.333   47.333
LGA    S    10_A      S    10_A     3.121     0    0.016   0.196     3.239   53.571   53.571
LGA    N    11_A      N    11_A     2.645     0    0.034   1.055     2.829   59.048   63.095
LGA    P    12_A      P    12_A     2.266     0    0.040   0.074     2.281   64.762   65.918
LGA    C    13_A      C    13_A     1.533     0    0.061   0.069     1.864   75.000   77.143
LGA    L    14_A      L    14_A     1.390     0    0.012   0.102     1.808   81.429   79.286
LGA    N    15_A      N    15_A     1.143     0    0.042   0.184     1.308   83.690   82.560
LGA    Q    16_A      Q    16_A     1.102     0    0.022   1.196     4.565   81.429   72.328
LGA    G    17_A      G    17_A     1.435     0    0.107   0.107     1.783   79.286   79.286
LGA    T    18_A      T    18_A     1.154     0    0.098   1.131     3.239   81.429   75.714
LGA    C    19_A      C    19_A     1.476     0    0.059   0.078     1.787   79.286   77.143
LGA    I    20_A      I    20_A     1.336     0    0.040   0.518     1.903   81.429   80.357
LGA    D    21_A      D    21_A     1.579     0    0.012   0.741     3.956   72.857   66.310
LGA    D    22_A      D    22_A     1.682     0    0.121   0.410     2.764   79.405   72.143
LGA    V    23_A      V    23_A     1.866     0    0.608   0.551     2.323   70.833   68.231
LGA    A    24_A      A    24_A     3.698     0    0.518   0.514     5.258   55.714   49.810
LGA    G    25_A      G    25_A     1.584     0    0.060   0.060     2.339   70.952   70.952
LGA    Y    26_A      Y    26_A     1.733     0    0.033   0.086     2.436   75.000   70.873
LGA    K    27_A      K    27_A     1.125     0    0.081   0.842     4.826   81.429   67.619
LGA    C    28_A      C    28_A     1.065     0    0.051   0.070     1.322   85.952   84.444
LGA    N    29_A      N    29_A     0.740     0    0.019   1.127     2.819   90.476   84.107
LGA    C    30_A      C    30_A     0.502     0    0.102   0.157     0.773   92.857   93.651
LGA    L    31_A      L    31_A     0.588     0    0.092   0.272     0.972   90.476   91.667
LGA    L    32_A      L    32_A     0.893     0    0.029   0.100     1.676   88.214   83.750
LGA    P    33_A      P    33_A     0.722     0    0.114   0.128     0.922   90.476   90.476
LGA    Y    34_A      Y    34_A     0.113     0    0.020   0.035     0.764  100.000   96.825
LGA    T    35_A      T    35_A     0.619     0    0.029   0.090     0.753   90.476   90.476
LGA    G    36_A      G    36_A     0.942     0    0.034   0.034     1.286   85.952   85.952
LGA    A    37_A      A    37_A     1.243     0    0.084   0.087     1.556   81.429   79.714
LGA    T    38_A      T    38_A     1.198     0    0.065   0.124     2.010   85.952   81.633
LGA    C    39_A      C    39_A     0.732     0    0.018   0.038     0.860   90.476   90.476
LGA    E    40_A      E    40_A     0.903     0    0.089   0.456     1.640   90.476   83.545
LGA    V    41_A      V    41_A     0.658     0    0.015   0.050     1.171   95.238   91.905
LGA    V    42_A      V    42_A     0.320     0    0.016   0.058     0.746   95.238   95.918
LGA    L    43_A      L    43_A     0.953     0    0.145   0.146     1.202   85.952   87.083
LGA    A    44_A      A    44_A     1.434     0    0.038   0.041     1.844   77.143   76.286
LGA    P    45_A      P    45_A     1.456     0    0.020   0.040     1.730   77.143   78.980
LGA    C    46_A      C    46_A     2.210     0    0.022   0.025     2.698   64.881   64.841
LGA    A    47_A      A    47_A     2.482     0    0.017   0.026     2.611   60.952   60.190
LGA    P    48_A      P    48_A     2.549     0    0.048   0.059     2.607   59.048   61.497
LGA    S    49_A      S    49_A     2.645     0    0.081   0.075     3.040   55.357   55.952
LGA    P    50_A      P    50_A     2.471     0    0.068   0.099     2.526   62.857   63.673
LGA    C    51_A      C    51_A     2.794     0    0.164   0.216     3.605   53.690   54.841
LGA    R    52_A      R    52_A     2.444     0    0.025   1.330     5.514   64.762   54.242
LGA    N    53_A      N    53_A     2.324     0    0.055   0.164     2.485   64.762   64.762
LGA    G    54_A      G    54_A     2.553     0    0.017   0.017     2.577   59.048   59.048
LGA    G    55_A      G    55_A     2.401     0    0.069   0.069     2.661   60.952   60.952
LGA    E    56_A      E    56_A     2.657     0    0.028   1.074     6.664   59.048   42.063
LGA    C    57_A      C    57_A     2.591     0    0.048   0.067     2.743   59.048   59.683
LGA    R    58_A      R    58_A     2.413     0    0.014   0.828     4.142   62.857   50.130
LGA    Q    59_A      Q    59_A     2.085     0    0.010   1.034     4.353   64.762   65.608
LGA    S    60_A      S    60_A     1.968     0    0.010   0.094     1.979   72.857   74.286
LGA    E    61_A      E    61_A     1.837     0    0.018   0.736     2.341   72.857   72.011
LGA    D    62_A      D    62_A     1.443     0    0.063   0.282     1.610   75.000   77.143
LGA    Y    63_A      Y    63_A     1.592     0    0.041   0.174     1.596   72.857   74.286
LGA    E    64_A      E    64_A     1.449     0    0.026   0.862     3.624   77.143   70.635
LGA    S    65_A      S    65_A     1.990     0    0.025   0.118     2.149   72.857   70.159
LGA    F    66_A      F    66_A     2.132     0    0.018   0.077     2.209   64.762   64.762
LGA    S    67_A      S    67_A     2.390     0    0.050   0.075     2.583   62.857   62.222
LGA    C    68_A      C    68_A     2.297     0    0.028   0.056     2.341   64.762   64.762
LGA    V    69_A      V    69_A     2.311     0    0.031   0.041     2.369   64.762   64.762
LGA    C    70_A      C    70_A     2.245     0    0.028   0.041     2.245   64.762   64.762
LGA    P    71_A      P    71_A     2.265     0    0.014   0.069     2.291   64.762   64.762
LGA    T    72_A      T    72_A     2.026     0    0.008   0.036     2.424   66.786   65.918
LGA    G    73_A      G    73_A     1.477     0    0.027   0.027     1.626   75.000   75.000
LGA    W    74_A      W    74_A     1.813     0    0.029   0.062     2.107   72.857   68.231
LGA    Q    75_A      Q    75_A     1.720     0    0.003   0.164     1.849   72.857   76.720
LGA    G    76_A      G    76_A     1.747     0    0.048   0.048     2.246   70.833   70.833
LGA    Q    77_A      Q    77_A     2.060     0    0.019   0.081     2.548   66.786   64.815
LGA    T    78_A      T    78_A     2.229     0    0.022   0.070     2.364   64.762   64.762
LGA    C    79_A      C    79_A     2.166     0    0.011   0.025     2.322   64.762   64.762
LGA    E    80_A      E    80_A     2.145     0    0.058   0.930     7.156   66.786   47.090
LGA    V    81_A      V    81_A     1.667     0    0.054   0.086     1.818   72.857   74.082
LGA    D    82_A      D    82_A     1.563     0    0.021   0.096     1.802   77.143   75.000
LGA    I    83_A      I    83_A     0.995     0    0.045   0.064     1.308   88.214   87.083
LGA    N    84_A      N    84_A     0.606     0    0.007   0.150     1.325   95.238   91.726
LGA    E    85_A      E    85_A     0.149     0    0.022   0.110     1.144  100.000   94.762
LGA    C    86_A      C    86_A     0.787     0    0.079   0.086     0.961   90.476   90.476
LGA    V    87_A      V    87_A     0.581     0    0.057   0.097     0.673   90.476   90.476
LGA    L    88_A      L    88_A     0.883     0    0.438   0.346     4.281   84.048   67.262
LGA    S    89_A      S    89_A     1.647     0    0.381   0.691     4.273   75.238   67.143
LGA    P    90_A      P    90_A     1.923     0    0.138   0.219     2.150   68.810   68.231
LGA    C    91_A      C    91_A     2.168     0    0.037   0.057     2.474   64.762   66.111
LGA    R    92_A      R    92_A     3.316     0    0.030   1.388     6.776   50.119   42.251
LGA    H    93_A      H    93_A     4.379     0    0.085   1.161     6.801   38.690   30.190
LGA    G    94_A      G    94_A     4.239     0    0.066   0.066     4.239   38.690   38.690
LGA    A    95_A      A    95_A     3.280     0    0.034   0.032     3.636   48.333   50.095
LGA    S    96_A      S    96_A     3.023     0    0.115   0.558     3.957   51.786   50.079
LGA    C    97_A      C    97_A     1.666     0    0.014   0.031     2.010   70.833   72.937
LGA    Q    98_A      Q    98_A     1.665     0    0.011   0.814     1.830   77.143   79.630
LGA    N    99_A      N    99_A     1.669     0    0.065   0.329     2.682   68.810   69.940
LGA    T   100_A      T   100_A     2.607     0    0.040   0.157     2.822   59.048   60.408
LGA    H   101_A      H   101_A     3.579     0    0.039   1.013     4.195   45.000   53.571
LGA    G   102_A      G   102_A     3.463     0    0.070   0.070     3.463   50.000   50.000
LGA    G   103_A      G   103_A     2.378     0    0.049   0.049     2.717   69.048   69.048
LGA    Y   104_A      Y   104_A     1.054     0    0.017   0.107     1.666   83.810   85.317
LGA    R   105_A      R   105_A     0.985     0    0.024   0.943     4.815   85.952   72.078
LGA    C   106_A      C   106_A     1.574     0    0.019   0.034     1.940   75.000   74.286
LGA    H   107_A      H   107_A     2.704     0    0.047   1.063     4.744   57.262   51.238
LGA    C   108_A      C   108_A     3.065     0    0.023   0.081     3.645   50.119   52.540
LGA    Q   109_A      Q   109_A     4.101     0    0.029   0.698     6.992   38.690   31.905
LGA    A   110_A      A   110_A     5.005     0    0.013   0.021     5.824   27.500   26.286
LGA    G   111_A      G   111_A     4.604     0    0.159   0.159     4.604   32.857   32.857
LGA    Y   112_A      Y   112_A     3.657     0    0.034   0.201     6.816   48.452   34.206
LGA    S   113_A      S   113_A     2.257     0    0.026   0.162     2.806   60.952   63.571
LGA    G   114_A      G   114_A     1.697     0    0.015   0.015     1.748   72.857   72.857
LGA    R   115_A      R   115_A     1.345     0    0.015   0.744     3.412   77.143   76.277
LGA    N   116_A      N   116_A     2.071     0    0.052   0.260     2.774   62.857   65.833
LGA    C   117_A      C   117_A     2.774     0    0.025   0.054     3.787   53.810   56.190
LGA    E   118_A      E   118_A     3.975     0    0.081   0.154     4.328   41.905   45.026
LGA    T   119_A      T   119_A     4.464     0    0.053   0.088     4.663   35.714   36.327

# 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):     2.225          2.226                  2.433           69.599   67.778

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  117  113    4.0    110    2.13    80.310    86.093     4.933

LGA_LOCAL      RMSD:   2.130  Number of atoms:  110  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.237  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.225  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =   0.019641 * X  +  -0.342381 * Y  +  -0.939356 * Z  +  49.527016
  Y_new =  -0.944091 * X  +  -0.315612 * Y  +   0.095296 * Z  + -20.112411
  Z_new =  -0.329100 * X  +   0.884966 * Y  +  -0.329438 * Z  +  33.672043 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -1.549995  0.335350  1.927163   [DEG:  -88.8082   19.2141  110.4183 ]
ZXZ: -1.671899  1.906504 -0.356031   [DEG:  -95.7927  109.2346  -20.3991 ]
 
# END of job
