
#######################################################
#                                                     #
#                        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       2.25     2.25
  LCS_AVERAGE:    100.00

LCS - RMSD CUTOFF   2.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:   102      17_A - 118_A       2.00     2.35
  LCS_AVERAGE:     89.60

LCS - RMSD CUTOFF   1.00      length       segment         l_RMS    g_RMS
  LONGEST_CONTINUOUS_SEGMENT:    63       7_A - 69_A        0.99     4.87
  LCS_AVERAGE:     52.28

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     63   87  113     22   42   58   71   81   89  101  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C     8_A     C     8_A     63   87  113     32   48   66   75   84   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A     9_A     A     9_A     63   87  113     22   42   59   70   81   85  101  108  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    10_A     S    10_A     63   87  113     32   48   62   75   81   90  101  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    11_A     N    11_A     63   98  113     32   48   66   75   84   96  105  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    12_A     P    12_A     63   98  113     32   48   66   75   84   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    13_A     C    13_A     63   98  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    14_A     L    14_A     63   98  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    15_A     N    15_A     63   98  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    16_A     Q    16_A     63  101  113     28   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    17_A     G    17_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    18_A     T    18_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    19_A     C    19_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    20_A     I    20_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    21_A     D    21_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    22_A     D    22_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    23_A     V    23_A     63  102  113     26   42   59   75   84   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    24_A     A    24_A     63  102  113      6   48   66   75   89   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    25_A     G    25_A     63  102  113     13   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    26_A     Y    26_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     K    27_A     K    27_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    28_A     C    28_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    29_A     N    29_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    30_A     C    30_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    31_A     L    31_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    32_A     L    32_A     63  102  113     32   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    33_A     P    33_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    34_A     Y    34_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    35_A     T    35_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    36_A     G    36_A     63  102  113     26   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    37_A     A    37_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    38_A     T    38_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    39_A     C    39_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    40_A     E    40_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    41_A     V    41_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    42_A     V    42_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    43_A     L    43_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    44_A     A    44_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    45_A     P    45_A     63  102  113     32   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    46_A     C    46_A     63  102  113     28   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    47_A     A    47_A     63  102  113     27   45   65   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    48_A     P    48_A     63  102  113      7   22   61   68   82   97  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    49_A     S    49_A     63  102  113     26   47   61   74   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    50_A     P    50_A     63  102  113     28   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    51_A     C    51_A     63  102  113     28   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    52_A     R    52_A     63  102  113     28   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    53_A     N    53_A     63  102  113     28   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    54_A     G    54_A     63  102  113     28   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    55_A     G    55_A     63  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    56_A     E    56_A     63  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    57_A     C    57_A     63  102  113     28   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    58_A     R    58_A     63  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    59_A     Q    59_A     63  102  113     28   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    60_A     S    60_A     63  102  113     28   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    61_A     E    61_A     63  102  113     14   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    62_A     D    62_A     63  102  113     14   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y    63_A     Y    63_A     63  102  113     21   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    64_A     E    64_A     63  102  113     28   46   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    65_A     S    65_A     63  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     F    66_A     F    66_A     63  102  113     28   48   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    67_A     S    67_A     63  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    68_A     C    68_A     63  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    69_A     V    69_A     63  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    70_A     C    70_A     60  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    71_A     P    71_A     54  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    72_A     T    72_A     54  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    73_A     G    73_A     54  102  113     27   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     W    74_A     W    74_A     54  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    75_A     Q    75_A     54  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    76_A     G    76_A     54  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    77_A     Q    77_A     54  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T    78_A     T    78_A     54  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    79_A     C    79_A     54  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    80_A     E    80_A     54  102  113     27   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    81_A     V    81_A     54  102  113     28   47   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     D    82_A     D    82_A     54  102  113     17   47   61   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     I    83_A     I    83_A     54  102  113     26   47   61   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    84_A     N    84_A     54  102  113     26   47   61   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E    85_A     E    85_A     54  102  113     26   47   61   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    86_A     C    86_A     54  102  113     23   47   61   73   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     V    87_A     V    87_A     54  102  113     26   47   61   73   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     L    88_A     L    88_A     54  102  113      4   44   61   73   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    89_A     S    89_A     54  102  113     11   30   61   69   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     P    90_A     P    90_A     54  102  113     23   47   61   69   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    91_A     C    91_A     54  102  113     23   47   61   69   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R    92_A     R    92_A     54  102  113     23   42   60   68   82   97  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H    93_A     H    93_A     54  102  113     17   34   56   68   75   95  105  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G    94_A     G    94_A     54  102  113     16   34   57   68   75   95  105  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A    95_A     A    95_A     54  102  113     23   46   61   68   86   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S    96_A     S    96_A     54  102  113     23   46   61   68   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C    97_A     C    97_A     54  102  113     23   47   61   69   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q    98_A     Q    98_A     54  102  113     23   47   61   73   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N    99_A     N    99_A     54  102  113     23   47   61   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   100_A     T   100_A     54  102  113     23   34   60   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   101_A     H   101_A     54  102  113     16   34   43   74   83   97  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   102_A     G   102_A     54  102  113     23   38   66   75   84   97  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   103_A     G   103_A     54  102  113     28   40   66   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   104_A     Y   104_A     54  102  113     27   47   61   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   105_A     R   105_A     54  102  113     26   47   61   75   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   106_A     C   106_A     54  102  113     23   47   61   73   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     H   107_A     H   107_A     54  102  113     23   47   61   69   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   108_A     C   108_A     54  102  113     23   47   61   69   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Q   109_A     Q   109_A     54  102  113     21   45   61   68   86   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     A   110_A     A   110_A     54  102  113     19   36   57   68   75   95  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   111_A     G   111_A     54  102  113     21   39   58   68   79   95  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     Y   112_A     Y   112_A     54  102  113     23   45   61   68   81   97  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     S   113_A     S   113_A     54  102  113     23   47   61   69   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     G   114_A     G   114_A     54  102  113     23   47   61   69   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     R   115_A     R   115_A     54  102  113     23   47   61   69   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     N   116_A     N   116_A     54  102  113     23   46   61   69   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     C   117_A     C   117_A     54  102  113     23   46   61   68   90   98  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     E   118_A     E   118_A     54  102  113     23   39   57   68   79   97  106  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_GDT     T   119_A     T   119_A     54   98  113     17   31   43   59   72   79   87  109  111  113  113  113  113  113  113  113  113  113  113  113 
LCS_AVERAGE  LCS_A:  80.62  (  52.28   89.60  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     48     66     75     90     98    106    109    111    113    113    113    113    113    113    113    113    113    113    113 
GDT PERCENT_AT  28.32  42.48  58.41  66.37  79.65  86.73  93.81  96.46  98.23 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00 100.00
GDT RMS_LOCAL    0.30   0.64   1.01   1.16   1.71   1.87   2.03   2.11   2.18   2.25   2.25   2.25   2.25   2.25   2.25   2.25   2.25   2.25   2.25   2.25
GDT RMS_ALL_AT   6.39   5.05   3.82   3.55   2.33   2.28   2.26   2.26   2.25   2.25   2.25   2.25   2.25   2.25   2.25   2.25   2.25   2.25   2.25   2.25

# 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     4.437     0    0.098   0.962     5.405   35.714   37.566
LGA    C     8_A      C     8_A     3.431     0    0.037   0.053     3.960   45.000   50.317
LGA    A     9_A      A     9_A     5.064     0    0.054   0.066     5.778   28.810   27.333
LGA    S    10_A      S    10_A     4.594     0    0.021   0.172     4.698   34.286   34.286
LGA    N    11_A      N    11_A     3.810     0    0.012   1.015     4.023   41.786   43.452
LGA    P    12_A      P    12_A     3.507     0    0.051   0.082     3.507   46.667   48.095
LGA    C    13_A      C    13_A     2.377     0    0.047   0.044     2.832   59.048   62.302
LGA    L    14_A      L    14_A     2.582     0    0.007   0.124     3.509   62.857   58.274
LGA    N    15_A      N    15_A     2.455     0    0.043   0.119     2.767   62.857   62.857
LGA    Q    16_A      Q    16_A     2.363     0    0.030   1.212     6.295   64.762   52.487
LGA    G    17_A      G    17_A     2.148     0    0.086   0.086     2.435   64.762   64.762
LGA    T    18_A      T    18_A     1.715     0    0.094   1.140     3.477   75.000   68.571
LGA    C    19_A      C    19_A     1.918     0    0.059   0.067     2.328   70.833   68.810
LGA    I    20_A      I    20_A     1.296     0    0.034   0.500     1.691   77.143   80.417
LGA    D    21_A      D    21_A     1.791     0    0.027   0.750     5.105   72.857   59.643
LGA    D    22_A      D    22_A     2.044     0    0.027   0.864     4.108   64.881   58.690
LGA    V    23_A      V    23_A     3.086     0    0.124   0.125     3.982   50.119   49.116
LGA    A    24_A      A    24_A     2.639     0    0.471   0.465     4.293   52.143   53.143
LGA    G    25_A      G    25_A     2.190     0    0.151   0.151     2.190   70.952   70.952
LGA    Y    26_A      Y    26_A     2.342     0    0.031   0.140     3.754   62.857   56.825
LGA    K    27_A      K    27_A     1.653     0    0.051   0.242     2.680   77.143   71.270
LGA    C    28_A      C    28_A     1.154     0    0.036   0.040     1.747   85.952   83.016
LGA    N    29_A      N    29_A     0.603     0    0.024   1.334     4.308   88.214   71.845
LGA    C    30_A      C    30_A     0.779     0    0.089   0.107     1.040   88.214   88.968
LGA    L    31_A      L    31_A     1.549     0    0.093   0.216     2.216   79.286   75.060
LGA    L    32_A      L    32_A     2.029     0    0.026   0.110     3.196   64.881   61.071
LGA    P    33_A      P    33_A     1.606     0    0.130   0.173     2.240   75.119   72.993
LGA    Y    34_A      Y    34_A     0.695     0    0.034   0.079     1.870   90.476   82.302
LGA    T    35_A      T    35_A     0.718     0    0.048   0.082     0.923   90.476   90.476
LGA    G    36_A      G    36_A     1.291     0    0.016   0.016     1.631   77.143   77.143
LGA    A    37_A      A    37_A     1.901     0    0.067   0.064     2.374   72.857   71.238
LGA    T    38_A      T    38_A     1.873     0    0.038   0.115     2.742   72.857   68.299
LGA    C    39_A      C    39_A     1.213     0    0.020   0.053     1.402   81.429   81.429
LGA    E    40_A      E    40_A     1.776     0    0.068   0.248     2.336   77.143   70.265
LGA    V    41_A      V    41_A     1.022     0    0.059   0.063     1.490   85.952   84.014
LGA    V    42_A      V    42_A     0.724     0    0.017   0.050     1.260   92.857   89.252
LGA    L    43_A      L    43_A     1.090     0    0.066   0.066     1.294   83.690   82.560
LGA    A    44_A      A    44_A     1.427     0    0.037   0.043     1.661   77.143   78.000
LGA    P    45_A      P    45_A     1.667     0    0.042   0.070     1.838   72.857   72.857
LGA    C    46_A      C    46_A     1.941     0    0.047   0.048     2.170   70.833   70.159
LGA    A    47_A      A    47_A     1.508     0    0.649   0.609     2.604   71.071   69.810
LGA    P    48_A      P    48_A     3.436     0    0.254   0.506     4.788   54.048   48.844
LGA    S    49_A      S    49_A     2.560     0    0.061   0.120     3.188   60.952   57.302
LGA    P    50_A      P    50_A     2.221     0    0.062   0.082     2.229   64.762   64.762
LGA    C    51_A      C    51_A     2.338     0    0.124   0.151     2.939   62.857   63.492
LGA    R    52_A      R    52_A     2.011     0    0.022   0.638     2.168   64.762   68.528
LGA    N    53_A      N    53_A     1.970     0    0.049   0.171     2.073   72.857   71.845
LGA    G    54_A      G    54_A     2.076     0    0.038   0.038     2.076   64.762   64.762
LGA    G    55_A      G    55_A     1.972     0    0.046   0.046     2.128   66.786   66.786
LGA    E    56_A      E    56_A     2.162     0    0.010   1.144     6.382   66.786   48.413
LGA    C    57_A      C    57_A     2.092     0    0.039   0.045     2.121   64.762   64.762
LGA    R    58_A      R    58_A     2.021     0    0.026   1.292     5.876   68.810   60.519
LGA    Q    59_A      Q    59_A     1.930     0    0.023   0.993     3.754   72.857   65.979
LGA    S    60_A      S    60_A     2.343     0    0.014   0.107     2.449   64.762   64.762
LGA    E    61_A      E    61_A     2.779     0    0.028   0.766     4.040   57.143   53.333
LGA    D    62_A      D    62_A     2.524     0    0.033   0.312     2.881   60.952   59.048
LGA    Y    63_A      Y    63_A     2.176     0    0.058   0.167     2.559   66.786   64.167
LGA    E    64_A      E    64_A     2.161     0    0.023   0.840     3.682   64.762   61.534
LGA    S    65_A      S    65_A     2.334     0    0.052   0.085     2.728   64.762   62.222
LGA    F    66_A      F    66_A     2.174     0    0.026   0.098     2.235   64.762   64.762
LGA    S    67_A      S    67_A     2.002     0    0.045   0.070     2.177   64.762   67.460
LGA    C    68_A      C    68_A     1.846     0    0.026   0.041     1.958   72.857   72.857
LGA    V    69_A      V    69_A     1.772     0    0.020   0.044     1.877   72.857   72.857
LGA    C    70_A      C    70_A     1.736     0    0.032   0.046     1.751   72.857   72.857
LGA    P    71_A      P    71_A     1.719     0    0.010   0.062     1.772   72.857   72.857
LGA    T    72_A      T    72_A     1.560     0    0.013   0.031     1.747   72.857   72.857
LGA    G    73_A      G    73_A     1.330     0    0.026   0.026     1.454   81.429   81.429
LGA    W    74_A      W    74_A     1.676     0    0.050   0.077     2.010   72.857   72.279
LGA    Q    75_A      Q    75_A     1.509     0    0.032   0.195     1.639   72.857   76.667
LGA    G    76_A      G    76_A     1.614     0    0.035   0.035     1.828   72.857   72.857
LGA    Q    77_A      Q    77_A     1.714     0    0.023   0.190     1.846   72.857   73.810
LGA    T    78_A      T    78_A     1.920     0    0.015   0.070     2.002   72.857   71.701
LGA    C    79_A      C    79_A     1.914     0    0.022   0.059     2.027   70.833   71.508
LGA    E    80_A      E    80_A     1.904     0    0.058   0.947     6.759   72.857   53.016
LGA    V    81_A      V    81_A     1.711     0    0.052   0.053     1.751   72.857   72.857
LGA    D    82_A      D    82_A     1.847     0    0.055   0.214     2.597   75.000   68.929
LGA    I    83_A      I    83_A     1.170     0    0.013   0.063     1.456   85.952   84.821
LGA    N    84_A      N    84_A     0.877     0    0.032   0.097     1.449   90.476   87.083
LGA    E    85_A      E    85_A     0.341     0    0.033   0.063     0.867   97.619   94.709
LGA    C    86_A      C    86_A     0.707     0    0.080   0.087     0.871   90.476   90.476
LGA    V    87_A      V    87_A     0.743     0    0.048   0.056     0.999   90.476   90.476
LGA    L    88_A      L    88_A     0.829     0    0.456   0.347     4.213   84.048   67.440
LGA    S    89_A      S    89_A     1.725     0    0.374   0.737     4.995   75.000   64.762
LGA    P    90_A      P    90_A     1.741     0    0.120   0.194     2.093   72.857   71.701
LGA    C    91_A      C    91_A     1.910     0    0.029   0.045     2.318   68.810   71.587
LGA    R    92_A      R    92_A     3.043     0    0.022   1.353     3.643   51.786   54.892
LGA    H    93_A      H    93_A     4.108     0    0.053   0.079     4.754   38.690   36.048
LGA    G    94_A      G    94_A     3.939     0    0.112   0.112     3.939   46.667   46.667
LGA    A    95_A      A    95_A     2.747     0    0.024   0.031     3.134   55.357   57.238
LGA    S    96_A      S    96_A     2.377     0    0.044   0.071     2.557   66.905   64.921
LGA    C    97_A      C    97_A     1.310     0    0.018   0.037     1.645   77.143   80.079
LGA    Q    98_A      Q    98_A     1.355     0    0.010   0.158     2.507   83.690   77.831
LGA    N    99_A      N    99_A     1.578     0    0.062   0.321     3.125   72.976   69.048
LGA    T   100_A      T   100_A     2.408     0    0.014   0.089     2.703   64.881   65.986
LGA    H   101_A      H   101_A     3.506     0    0.027   1.157     7.168   46.667   36.000
LGA    G   102_A      G   102_A     3.155     0    0.104   0.104     3.155   53.571   53.571
LGA    G   103_A      G   103_A     2.314     0    0.035   0.035     2.546   69.048   69.048
LGA    Y   104_A      Y   104_A     0.998     0    0.046   0.114     1.897   83.810   83.770
LGA    R   105_A      R   105_A     0.527     0    0.039   1.189     5.140   92.857   73.377
LGA    C   106_A      C   106_A     0.938     0    0.047   0.098     1.279   88.333   86.032
LGA    H   107_A      H   107_A     1.621     0    0.067   1.153     3.054   72.976   69.000
LGA    C   108_A      C   108_A     1.915     0    0.006   0.075     2.239   68.810   70.159
LGA    Q   109_A      Q   109_A     2.692     0    0.019   0.706     5.738   59.048   49.577
LGA    A   110_A      A   110_A     3.335     0    0.024   0.026     3.899   48.333   47.333
LGA    G   111_A      G   111_A     3.254     0    0.113   0.113     3.254   50.000   50.000
LGA    Y   112_A      Y   112_A     2.915     0    0.037   0.074     5.281   59.167   45.238
LGA    S   113_A      S   113_A     1.976     0    0.027   0.087     2.451   66.786   66.111
LGA    G   114_A      G   114_A     2.034     0    0.022   0.022     2.034   72.976   72.976
LGA    R   115_A      R   115_A     1.775     0    0.014   0.670     4.475   75.000   65.498
LGA    N   116_A      N   116_A     2.075     0    0.017   0.270     2.713   64.762   65.893
LGA    C   117_A      C   117_A     2.440     0    0.026   0.047     3.004   59.167   62.381
LGA    E   118_A      E   118_A     3.309     0    0.056   0.143     3.964   48.452   50.899
LGA    T   119_A      T   119_A     4.594     0    0.132   1.019     5.123   35.833   34.014

# 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):     2.245          2.239                  2.490           68.527   66.099

#CA            N1   N2   DIST      N    RMSD    GDT_TS    LGA_S3     LGA_Q 
SUMMARY(GDT)  119  113    4.0    109    2.11    76.327    84.619     4.921

LGA_LOCAL      RMSD:   2.115  Number of atoms:  109  under DIST:   4.00
LGA_ASGN_ATOMS RMSD:   2.256  Number of assigned atoms:  113 
Std_ASGN_ATOMS RMSD:   2.245  Standard rmsd on all 113 assigned CA atoms 

Unitary ROTATION matrix and the SHIFT vector superimpose molecules  (1=>2)
  X_new =  -0.723811 * X  +  -0.386065 * Y  +   0.571885 * Z  +   4.573785
  Y_new =  -0.028234 * X  +  -0.811554 * Y  +  -0.583595 * Z  +  18.954456
  Z_new =   0.689421 * X  +  -0.438559 * Y  +   0.576511 * Z  +  25.871035 

Euler angles from the ROTATION matrix. Conventions XYZ and ZXZ:
           Phi     Theta       Psi   [DEG:       Phi     Theta       Psi ]
XYZ: -3.102604 -0.760689 -0.650322   [DEG: -177.7661  -43.5843  -37.2607 ]
ZXZ:  0.775264  0.956344  2.137357   [DEG:   44.4193   54.7945  122.4615 ]
 
# END of job
