
#######################################################
#                                                     #
#                        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       2.19     2.19
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   106      12_A - 117_A       1.99     2.22
  LONGEST_CONTINUOUS_SEGMENT:   106      13_A - 118_A       1.99     2.24
  LCS_AVERAGE:     93.63

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    73       7_A - 79_A        1.00     3.74
  LONGEST_CONTINUOUS_SEGMENT:    73       8_A - 80_A        0.99     3.68
  LCS_AVERAGE:     58.06

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     73  102  113     25   48   62   76   84   91  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     73  102  113     32   52   70   79   89   98  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     73  102  113     25   48   61   76   82   89   99  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     73  102  113     25   49   63   76   82   89  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     73  102  113     32   52   70   78   85   97  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     73  106  113     32   52   70   78   87   98  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     73  106  113     29   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     73  106  113      7   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     73  106  113      4    7   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     73  106  113     18   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     73  106  113     22   50   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     73  106  113     30   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     73  106  113     27   44   70   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     73  106  113     27   47   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     73  106  113     32   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     73  106  113     27   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     73  106  113     27   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     73  106  113     27   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     73  106  113     27   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     73  106  113     29   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     73  106  113     29   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     73  106  113     27   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     73  106  113     29   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     73  106  113     27   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     73  106  113     29   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     73  106  113     29   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     73  106  113     29   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     73  106  113     20   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     73  106  113     30   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     73  106  113     27   44   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     73  106  113     27   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     73  106  113     27   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     73  106  113     27   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     73  106  113     27   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     73  106  113     27   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     73  106  113     27   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     73  106  113     27   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     73  106  113     27   47   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     73  106  113     26   47   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     73  106  113     26   47   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     73  106  113     26   47   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     73  106  113     27   47   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     73  106  113     27   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     73  106  113     27   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     73  106  113     27   52   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     73  106  113     27   47   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     72  106  113     26   47   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     72  106  113     16   44   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     72  106  113     26   44   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     66  106  113     22   44   62   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     51  106  113     22   44   62   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     51  106  113     23   44   60   80   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     51  106  113     16   44   62   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     51  106  113      4   34   60   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     51  106  113      4   33   60   78   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     51  106  113     22   41   60   78   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     51  106  113     23   41   60   75   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     51  106  113     23   38   60   67   84   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     49  106  113     22   33   53   67   74   82  102  108  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     49  106  113     16   33   53   67   75   83  104  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     49  106  113     23   39   60   67   86   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     49  106  113     23   40   60   69   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     49  106  113     23   43   60   78   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     49  106  113     23   43   60   80   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     49  106  113     23   38   60   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     49  106  113     23   33   51   81   93   99  104  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     49  106  113     17   33   42   60   84   96  103  108  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     49  106  113     23   48   73   81   87   97  104  108  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     49  106  113     24   47   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     49  106  113     26   44   73   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     49  106  113     23   44   62   81   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     49  106  113     23   44   60   80   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     49  106  113     23   41   60   78   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     49  106  113     23   41   60   75   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     49  106  113     23   39   60   67   82   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     49  106  113     22   32   53   67   75   97  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     49  106  113     22   33   54   67   75   97  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     49  106  113     23   34   59   67   77   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     49  106  113     23   40   60   74   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     49  106  113     23   38   60   74   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     49  106  113     23   38   60   79   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     49  106  113     23   39   60   75   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     49  106  113     23   38   60   69   94   99  105  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     49  106  113     23   33   53   67   75   90  104  109  112  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     48  103  113     16   33   37   44   64   76   80   96  107  113  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  83.90  (  58.06   93.63  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     32     52     73     81     94     99    105    109    112    113    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  28.32  46.02  64.60  71.68  83.19  87.61  92.92  96.46  99.12 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.31   0.59   0.98   1.23   1.66   1.79   1.97   2.07   2.15   2.19   2.19   2.19   2.19   2.19   2.19   2.19   2.19   2.19   2.19   2.19
GDT RMS_ALL_AT   5.85   4.55   3.21   2.79   2.26   2.22   2.20   2.20   2.19   2.19   2.19   2.19   2.19   2.19   2.19   2.19   2.19   2.19   2.19   2.19

# Checking swapping
#   possible swapping detected:  Y    26_A      Y    26_A
#   possible swapping detected:  E    40_A      E    40_A
#   possible swapping detected:  E    64_A      E    64_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     3.580     0    0.042   0.967     4.264   46.667   48.942
LGA    C     8_A      C     8_A     2.829     0    0.021   0.051     3.256   51.786   54.841
LGA    A     9_A      A     9_A     4.241     0    0.040   0.052     4.855   38.690   37.238
LGA    S    10_A      S    10_A     3.952     0    0.049   0.167     3.984   45.000   44.444
LGA    N    11_A      N    11_A     3.123     0    0.014   1.020     3.360   51.786   53.631
LGA    P    12_A      P    12_A     2.786     0    0.054   0.072     2.789   60.952   60.408
LGA    C    13_A      C    13_A     1.790     0    0.059   0.059     2.215   70.833   71.508
LGA    L    14_A      L    14_A     1.786     0    0.008   0.134     2.562   75.000   70.952
LGA    N    15_A      N    15_A     1.596     0    0.031   0.113     1.796   77.143   77.143
LGA    Q    16_A      Q    16_A     1.551     0    0.034   1.200     5.193   72.857   63.545
LGA    G    17_A      G    17_A     1.644     0    0.088   0.088     1.917   72.857   72.857
LGA    T    18_A      T    18_A     1.369     0    0.092   1.146     3.455   81.429   74.558
LGA    C    19_A      C    19_A     1.620     0    0.058   0.063     1.932   75.000   74.286
LGA    I    20_A      I    20_A     1.125     0    0.027   0.510     1.651   81.429   83.750
LGA    D    21_A      D    21_A     1.335     0    0.022   0.819     4.725   81.429   68.214
LGA    D    22_A      D    22_A     1.134     0    0.015   0.836     4.176   81.429   68.036
LGA    V    23_A      V    23_A     1.062     0    0.145   0.163     1.790   79.286   80.204
LGA    A    24_A      A    24_A     1.390     0    0.526   0.515     2.901   79.524   75.048
LGA    G    25_A      G    25_A     1.160     0    0.094   0.094     1.439   83.690   83.690
LGA    Y    26_A      Y    26_A     1.764     0    0.019   0.121     2.878   72.857   66.270
LGA    K    27_A      K    27_A     1.287     0    0.057   0.187     1.767   79.286   77.619
LGA    C    28_A      C    28_A     0.910     0    0.026   0.034     1.381   92.857   89.048
LGA    N    29_A      N    29_A     0.427     0    0.027   1.342     3.825   92.857   76.667
LGA    C    30_A      C    30_A     0.367     0    0.084   0.103     0.607   95.238   95.238
LGA    L    31_A      L    31_A     1.072     0    0.075   0.217     1.600   85.952   82.619
LGA    L    32_A      L    32_A     1.489     0    0.022   0.106     2.431   77.143   72.976
LGA    P    33_A      P    33_A     1.213     0    0.068   0.095     1.469   85.952   84.014
LGA    Y    34_A      Y    34_A     0.205     0    0.040   0.076     1.312   97.619   92.183
LGA    T    35_A      T    35_A     0.471     0    0.052   0.085     0.787   95.238   93.197
LGA    G    36_A      G    36_A     1.002     0    0.014   0.014     1.323   83.690   83.690
LGA    A    37_A      A    37_A     1.522     0    0.063   0.060     1.917   79.286   78.000
LGA    T    38_A      T    38_A     1.400     0    0.031   0.084     2.153   81.429   76.599
LGA    C    39_A      C    39_A     0.772     0    0.025   0.052     0.942   90.476   90.476
LGA    E    40_A      E    40_A     1.126     0    0.067   0.203     1.793   88.214   80.635
LGA    V    41_A      V    41_A     0.667     0    0.062   0.068     1.244   95.238   91.905
LGA    V    42_A      V    42_A     0.502     0    0.021   1.110     2.373   92.857   84.490
LGA    L    43_A      L    43_A     1.299     0    0.060   0.072     1.466   81.429   81.429
LGA    A    44_A      A    44_A     1.729     0    0.022   0.033     1.992   72.857   72.857
LGA    P    45_A      P    45_A     1.809     0    0.065   0.080     1.916   72.857   72.857
LGA    C    46_A      C    46_A     2.213     0    0.049   0.051     2.326   64.762   64.762
LGA    A    47_A      A    47_A     2.395     0    0.027   0.030     2.556   64.762   63.238
LGA    P    48_A      P    48_A     2.278     0    0.009   0.050     2.285   64.762   64.762
LGA    S    49_A      S    49_A     2.340     0    0.057   0.083     2.614   62.857   63.492
LGA    P    50_A      P    50_A     2.241     0    0.071   0.099     2.298   64.762   64.762
LGA    C    51_A      C    51_A     2.489     0    0.143   0.179     3.192   59.167   59.762
LGA    R    52_A      R    52_A     2.248     0    0.028   1.205     4.959   64.762   59.048
LGA    N    53_A      N    53_A     2.234     0    0.045   0.156     2.286   64.762   65.774
LGA    G    54_A      G    54_A     2.328     0    0.042   0.042     2.328   64.762   64.762
LGA    G    55_A      G    55_A     2.189     0    0.041   0.041     2.365   64.762   64.762
LGA    E    56_A      E    56_A     2.378     0    0.014   1.120     6.774   64.762   46.561
LGA    C    57_A      C    57_A     2.248     0    0.035   0.038     2.299   64.762   64.762
LGA    R    58_A      R    58_A     2.126     0    0.043   1.266     5.651   66.786   58.312
LGA    Q    59_A      Q    59_A     1.853     0    0.017   0.679     3.984   72.857   59.735
LGA    S    60_A      S    60_A     2.231     0    0.014   0.118     2.350   66.786   67.460
LGA    E    61_A      E    61_A     2.423     0    0.026   0.745     3.549   64.762   59.841
LGA    D    62_A      D    62_A     2.140     0    0.043   0.359     2.793   64.762   63.810
LGA    Y    63_A      Y    63_A     1.976     0    0.056   0.131     2.123   70.833   68.810
LGA    E    64_A      E    64_A     1.989     0    0.030   0.926     4.229   66.786   61.746
LGA    S    65_A      S    65_A     2.261     0    0.054   0.097     2.587   64.762   62.222
LGA    F    66_A      F    66_A     2.136     0    0.022   0.090     2.240   66.786   65.498
LGA    S    67_A      S    67_A     1.908     0    0.044   0.067     2.205   70.833   71.508
LGA    C    68_A      C    68_A     1.841     0    0.032   0.044     1.988   72.857   72.857
LGA    V    69_A      V    69_A     1.838     0    0.011   0.031     1.975   72.857   72.857
LGA    C    70_A      C    70_A     1.795     0    0.034   0.039     1.840   72.857   72.857
LGA    P    71_A      P    71_A     1.935     0    0.010   0.068     2.040   72.857   71.701
LGA    T    72_A      T    72_A     1.768     0    0.016   0.032     2.005   72.857   71.701
LGA    G    73_A      G    73_A     1.461     0    0.035   0.035     1.531   75.000   75.000
LGA    W    74_A      W    74_A     1.695     0    0.047   0.070     2.111   72.857   68.231
LGA    Q    75_A      Q    75_A     1.457     0    0.035   0.407     1.920   77.143   78.571
LGA    G    76_A      G    76_A     1.503     0    0.039   0.039     1.769   75.000   75.000
LGA    Q    77_A      Q    77_A     1.599     0    0.021   0.659     3.044   72.857   69.471
LGA    T    78_A      T    78_A     1.879     0    0.024   0.048     1.989   72.857   72.857
LGA    C    79_A      C    79_A     1.943     0    0.021   0.058     2.051   70.833   68.810
LGA    E    80_A      E    80_A     1.932     0    0.049   0.960     6.774   72.857   52.434
LGA    V    81_A      V    81_A     1.682     0    0.055   0.056     1.744   72.857   72.857
LGA    D    82_A      D    82_A     1.920     0    0.061   0.238     2.896   72.857   67.857
LGA    I    83_A      I    83_A     1.137     0    0.049   0.048     1.462   81.429   83.690
LGA    N    84_A      N    84_A     0.983     0    0.041   0.065     1.594   90.476   84.881
LGA    E    85_A      E    85_A     0.367     0    0.034   0.077     0.995   92.857   92.593
LGA    C    86_A      C    86_A     0.989     0    0.087   0.091     1.152   90.476   87.460
LGA    V    87_A      V    87_A     0.942     0    0.054   0.063     1.124   90.476   86.599
LGA    L    88_A      L    88_A     1.054     0    0.466   0.354     4.553   79.524   61.845
LGA    S    89_A      S    89_A     1.702     0    0.380   0.738     4.766   72.976   64.683
LGA    P    90_A      P    90_A     1.830     0    0.131   0.202     2.125   70.833   70.544
LGA    C    91_A      C    91_A     2.042     0    0.023   0.039     2.591   64.881   68.968
LGA    R    92_A      R    92_A     3.336     0    0.022   1.354     4.572   48.452   49.913
LGA    H    93_A      H    93_A     4.560     0    0.067   0.084     5.266   32.857   30.429
LGA    G    94_A      G    94_A     4.371     0    0.113   0.113     4.371   40.238   40.238
LGA    A    95_A      A    95_A     3.046     0    0.022   0.029     3.476   53.571   54.286
LGA    S    96_A      S    96_A     2.715     0    0.045   0.085     2.897   60.952   59.683
LGA    C    97_A      C    97_A     1.599     0    0.017   0.038     2.041   70.833   74.365
LGA    Q    98_A      Q    98_A     1.754     0    0.010   0.140     3.052   75.000   69.471
LGA    N    99_A      N    99_A     1.945     0    0.055   0.264     3.447   66.905   65.000
LGA    T   100_A      T   100_A     2.915     0    0.016   0.091     3.200   57.262   57.211
LGA    H   101_A      H   101_A     4.077     0    0.026   1.160     8.041   40.238   28.429
LGA    G   102_A      G   102_A     3.488     0    0.128   0.128     3.488   50.000   50.000
LGA    G   103_A      G   103_A     2.520     0    0.040   0.040     2.801   65.000   65.000
LGA    Y   104_A      Y   104_A     1.171     0    0.044   0.104     1.944   79.286   81.548
LGA    R   105_A      R   105_A     0.797     0    0.037   1.219     5.976   88.214   66.450
LGA    C   106_A      C   106_A     0.926     0    0.057   0.106     1.284   88.333   86.032
LGA    H   107_A      H   107_A     1.654     0    0.059   1.134     2.769   72.976   68.952
LGA    C   108_A      C   108_A     2.067     0    0.008   0.061     2.452   66.786   68.810
LGA    Q   109_A      Q   109_A     3.110     0    0.029   0.693     6.260   51.786   43.016
LGA    A   110_A      A   110_A     3.802     0    0.020   0.021     4.445   41.786   40.857
LGA    G   111_A      G   111_A     3.793     0    0.138   0.138     3.793   43.333   43.333
LGA    Y   112_A      Y   112_A     3.315     0    0.040   0.102     6.340   55.476   38.571
LGA    S   113_A      S   113_A     2.233     0    0.034   0.114     2.762   60.952   60.952
LGA    G   114_A      G   114_A     2.400     0    0.030   0.030     2.400   70.952   70.952
LGA    R   115_A      R   115_A     1.958     0    0.018   0.697     4.859   72.976   62.035
LGA    N   116_A      N   116_A     2.194     0    0.008   0.267     2.863   62.857   63.869
LGA    C   117_A      C   117_A     2.661     0    0.028   0.046     3.444   55.476   58.651
LGA    E   118_A      E   118_A     3.863     0    0.076   0.131     4.604   40.476   42.804
LGA    T   119_A      T   119_A     5.268     0    0.119   0.167     5.841   30.238   27.823

# 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):     2.193          2.187                  2.468           70.285   67.473

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0    109    2.07    78.540    87.018     5.017

LGA_LOCAL      RMSD:   2.072  Number of atoms:  109  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.197  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.193  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.544207 * X  +   0.466621 * Y  +   0.697211 * Z  +   5.951776
  Y_new =   0.439177 * X  +   0.866536 * Y  +  -0.237147 * Z  +  19.484192
  Z_new =  -0.714816 * X  +   0.177142 * Y  +  -0.676504 * Z  +  26.386456 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ:  2.462596  0.796361  2.885494   [DEG:  141.0964   45.6281  165.3266 ]
ZXZ:  1.242936  2.313802 -1.327875   [DEG:   71.2150  132.5711  -76.0817 ]
 
# END of job
